#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckj n ASP 4 N 0.00 0.87 -4.68 0.00 8.00 -1.26 -2.80 116.55 116.67 2ckj n ASP 4 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2ckj n ASP 4 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2ckj n ASP 4 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ckj s LYS 5 N -1.50 4.18 0.22 -1.24 1.02 -1.26 -4.66 119.74 116.51 2ckj s LYS 5 Ca 0.00 2.39 -0.15 0.00 0.02 0.00 0.00 55.97 58.23 2ckj s LYS 5 Cb 0.00 -3.68 -0.08 0.00 -0.52 0.00 0.00 37.83 33.55 2ckj s LYS 5 CO 0.00 -0.78 0.63 -1.17 -0.92 0.00 0.00 175.35 173.11 2ckj s LEU 6 N 2.95 4.24 -0.05 3.17 0.20 -0.89 -5.03 118.68 123.27 2ckj s LEU 6 Ca 0.76 1.17 -0.02 0.00 0.69 0.00 0.00 54.13 56.73 2ckj s LEU 6 Cb -0.41 -3.63 0.03 0.00 -0.43 0.00 0.00 46.19 41.76 2ckj s LEU 6 CO 0.34 -0.03 0.08 -0.69 -0.29 0.00 0.00 176.35 175.76 2ckj s VAL 7 N -1.68 -0.14 0.35 1.68 1.01 -1.26 -2.20 120.40 118.16 2ckj s VAL 7 Ca 0.45 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 2ckj s VAL 7 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2ckj s VAL 7 CO 0.20 0.16 0.47 0.72 0.00 0.00 0.00 175.10 176.65 2ckj s PHE 8 N 2.19 1.10 -0.08 5.22 -0.12 -0.53 0.51 117.98 126.27 2ckj s PHE 8 Ca 0.05 -1.31 0.02 0.00 -0.05 0.00 0.00 56.93 55.63 2ckj s PHE 8 Cb -0.12 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.18 2ckj s PHE 8 CO -0.04 -1.13 -0.12 -0.06 -0.05 0.00 0.00 175.22 173.82 2ckj s PHE 9 N -3.04 1.52 -0.21 3.49 0.40 -0.92 0.30 117.98 119.52 2ckj s PHE 9 Ca 0.31 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2ckj s PHE 9 Cb -0.00 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.43 2ckj s PHE 9 CO 0.21 -0.33 -0.13 0.08 0.70 0.00 0.00 175.22 175.75 2ckj s VAL 10 N 0.85 1.88 -1.76 -0.44 1.01 -0.39 0.10 120.40 121.64 2ckj s VAL 10 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2ckj s VAL 10 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2ckj s VAL 10 CO 0.01 0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.91 2ckj n ASN 11 N 4.60 -5.51 0.00 3.32 3.02 0.19 -3.27 115.26 117.61 2ckj n ASN 11 Ca -0.16 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2ckj n ASN 11 Cb 0.46 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 2ckj n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ckj n GLY 12 N -0.85 3.31 3.86 7.41 0.00 -1.26 -5.03 105.19 112.63 2ckj n GLY 12 Ca -0.22 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2ckj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 13 N 0.00 3.94 0.46 1.61 0.52 -1.20 -4.97 118.95 119.30 2ckj s ARG 13 Ca 0.00 0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 55.61 2ckj s ARG 13 Cb 0.00 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 2ckj s ARG 13 CO 0.00 0.23 0.88 0.21 0.02 0.00 0.00 175.30 176.64 2ckj s LYS 14 N -2.86 3.87 -0.06 3.54 2.20 -1.26 -1.27 119.74 123.91 2ckj s LYS 14 Ca 0.51 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.82 2ckj s LYS 14 Cb -0.11 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.98 2ckj s LYS 14 CO 0.19 -0.15 0.05 0.08 -0.36 0.00 0.00 175.35 175.16 2ckj s VAL 15 N -2.49 -0.01 -0.47 4.02 1.01 0.15 -4.86 120.40 117.74 2ckj s VAL 15 Ca 0.55 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 2ckj s VAL 15 Cb -0.10 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.14 2ckj s VAL 15 CO 0.31 0.15 0.32 -0.69 0.00 0.00 0.00 175.10 175.19 2ckj s VAL 16 N 2.13 3.95 -0.28 2.92 1.01 -1.26 -1.46 120.40 127.41 2ckj s VAL 16 Ca 0.05 -1.94 -0.12 0.00 0.00 0.00 0.00 61.98 59.97 2ckj s VAL 16 Cb -0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2ckj s VAL 16 CO -0.04 -0.76 0.22 -0.70 0.00 0.00 0.00 175.10 173.82 2ckj s GLU 17 N 1.21 3.96 0.43 2.72 2.56 -0.94 -4.99 118.70 123.66 2ckj s GLU 17 Ca 0.07 -0.26 0.24 0.00 0.00 0.00 0.00 54.97 55.02 2ckj s GLU 17 Cb -0.25 -3.66 0.64 0.00 2.00 0.00 0.00 34.13 32.86 2ckj s GLU 17 CO -0.02 -0.20 1.71 0.87 -0.56 0.00 0.00 175.26 177.06 2ckj h LYS 18 N 8.34 0.00 0.00 4.30 1.57 -1.88 -2.36 116.57 126.54 2ckj h LYS 18 Ca -0.34 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.30 2ckj h LYS 18 Cb 1.19 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.25 2ckj h LYS 18 CO 0.57 0.14 -0.67 0.09 -0.57 0.00 0.00 179.45 179.01 2ckj n ASN 19 N -3.18 0.15 -4.77 0.86 3.02 -1.26 -4.63 115.26 105.45 2ckj n ASN 19 Ca 0.02 -1.94 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 2ckj n ASN 19 Cb 0.50 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 2ckj n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj s ALA 20 N 0.00 3.30 -0.31 5.41 0.00 -1.26 -4.87 121.76 124.03 2ckj s ALA 20 Ca 0.17 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 2ckj s ALA 20 Cb 0.20 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2ckj s ALA 20 CO -0.09 -0.77 0.33 0.34 0.00 0.00 0.00 175.76 175.57 2ckj s ASP 21 N -0.71 6.17 0.17 0.00 -1.08 -1.26 -4.15 116.67 115.80 2ckj s ASP 21 Ca 0.55 -0.04 0.07 0.00 -0.52 0.00 0.00 52.55 52.61 2ckj s ASP 21 Cb -0.38 -2.18 0.36 0.00 -1.46 0.00 0.00 42.92 39.25 2ckj s ASP 21 CO 0.49 -0.23 1.04 -2.65 0.52 0.00 0.00 175.17 174.33 2ckj n PRO 22 N 5.30 0.05 0.00 4.34 -0.02 -1.26 -0.52 135.00 142.88 2ckj n PRO 22 Ca -0.10 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2ckj n PRO 22 Cb 0.50 -1.93 0.51 0.00 -0.02 0.00 0.00 33.50 32.57 2ckj n PRO 22 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ckj n GLU 23 N -1.68 1.43 -3.41 -0.52 1.02 -1.26 -4.81 120.64 111.41 2ckj n GLU 23 Ca -0.00 -0.80 -0.40 0.00 -0.02 0.00 0.00 57.16 55.94 2ckj n GLU 23 Cb 0.29 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 2ckj n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ckj s THR 24 N -2.13 5.18 0.58 2.62 -4.23 0.32 -5.03 115.64 112.95 2ckj s THR 24 Ca 0.35 0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 61.01 2ckj s THR 24 Cb 0.21 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 2ckj s THR 24 CO 0.38 0.05 1.06 0.28 -0.54 0.00 0.00 174.62 175.85 2ckj s THR 25 N 2.04 3.71 0.09 3.99 -1.32 -1.26 -3.06 115.64 119.83 2ckj s THR 25 Ca 0.13 0.85 -0.30 0.00 -1.21 0.00 0.00 61.69 61.17 2ckj s THR 25 Cb -0.16 -3.35 -0.13 0.00 -1.51 0.00 0.00 72.50 67.34 2ckj s THR 25 CO 0.11 -0.43 1.63 0.25 -2.21 0.00 0.00 174.62 173.97 2ckj h LEU 26 N 0.58 -0.76 -9.65 9.08 5.85 -0.68 -2.93 115.31 116.79 2ckj h LEU 26 Ca -0.47 0.06 -0.53 0.00 0.84 0.00 0.00 57.88 57.78 2ckj h LEU 26 Cb 1.23 0.25 0.06 0.00 0.37 0.00 0.00 40.66 42.57 2ckj h LEU 26 CO 0.57 -0.42 0.95 -0.11 -0.34 0.00 0.00 178.44 179.09 2ckj n LEU 27 N -5.41 3.90 0.00 2.25 7.94 0.17 -0.36 117.00 125.48 2ckj n LEU 27 Ca -0.09 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 2ckj n LEU 27 Cb 0.31 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.71 2ckj n LEU 27 CO 0.30 0.09 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 2ckj n ALA 28 N 3.56 0.00 -0.35 1.96 0.00 -1.26 -4.49 120.51 119.92 2ckj n ALA 28 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.61 2ckj n ALA 28 Cb 0.34 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.95 2ckj n ALA 28 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ckj h TYR 29 N 0.00 1.15 -0.17 0.00 3.20 -0.50 0.51 116.97 121.15 2ckj h TYR 29 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2ckj h TYR 29 Cb 0.00 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2ckj h TYR 29 CO 0.00 0.60 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.86 2ckj h LEU 30 N 1.13 0.46 0.14 2.82 3.38 -1.02 0.85 115.31 123.08 2ckj h LEU 30 Ca 0.41 -0.49 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 2ckj h LEU 30 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ckj h LEU 30 CO -0.17 0.86 -1.73 -0.09 0.09 0.00 0.00 178.44 177.40 2ckj h ARG 31 N 0.07 0.31 0.00 1.13 1.12 -1.72 -2.67 114.38 112.63 2ckj h ARG 31 Ca 0.02 -0.52 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 2ckj h ARG 31 Cb 0.74 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 2ckj h ARG 31 CO 0.05 1.25 -0.08 2.89 -3.11 0.00 0.00 179.97 180.96 2ckj n ARG 32 N -3.67 1.10 0.00 0.20 1.85 0.18 -3.82 116.66 112.49 2ckj n ARG 32 Ca -0.27 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.30 2ckj n ARG 32 Cb 1.01 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 2ckj n ARG 32 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ckj n LYS 33 N -1.17 1.50 -0.79 2.89 3.00 0.24 -4.64 118.16 119.19 2ckj n LYS 33 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.43 2ckj n LYS 33 Cb 0.64 -0.85 0.27 0.00 0.00 0.00 0.00 35.03 35.09 2ckj n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 34 N -1.85 4.93 -3.53 3.14 4.77 -0.89 -4.99 117.00 118.58 2ckj n LEU 34 Ca 0.00 -3.29 -0.13 0.00 -0.03 0.00 0.00 56.01 52.56 2ckj n LEU 34 Cb 0.35 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2ckj n LEU 34 CO 0.00 0.87 -0.09 0.61 -1.33 0.00 0.00 177.39 177.45 2ckj n GLY 35 N -0.51 -0.17 3.18 -0.72 0.00 -1.19 -4.93 105.19 100.84 2ckj n GLY 35 Ca 0.33 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckj s LEU 36 N -5.22 5.24 0.00 0.99 1.43 -1.01 -5.04 118.68 115.06 2ckj s LEU 36 Ca 0.09 -1.83 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 2ckj s LEU 36 Cb -0.05 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2ckj s LEU 36 CO 0.31 -0.56 0.00 -1.54 0.23 0.00 0.00 176.35 174.79 2ckj n SER 37 N 4.74 -0.59 0.00 2.29 3.41 -1.26 -4.33 113.62 117.88 2ckj n SER 37 Ca -0.06 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 2ckj n SER 37 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2ckj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 38 N 2.66 0.47 3.29 5.00 0.00 -1.26 -4.89 105.19 110.45 2ckj n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ckj n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 39 N -2.29 4.42 0.52 2.61 2.01 -1.26 -4.81 115.64 116.84 2ckj s THR 39 Ca 0.00 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 2ckj s THR 39 Cb 0.00 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 2ckj s THR 39 CO 0.00 -0.55 0.80 -0.54 -0.69 0.00 0.00 174.62 173.64 2ckj s LYS 40 N 1.46 3.08 -0.19 4.92 -0.14 -0.48 -4.91 119.74 123.48 2ckj s LYS 40 Ca 0.03 -0.12 -0.05 0.00 -1.36 0.00 0.00 55.97 54.47 2ckj s LYS 40 Cb -0.24 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 2ckj s LYS 40 CO 0.03 -0.47 -0.01 -1.17 -0.76 0.00 0.00 175.35 172.97 2ckj s LEU 41 N -4.80 3.21 0.00 3.17 0.20 -1.26 -3.49 118.68 115.71 2ckj s LEU 41 Ca 0.51 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 55.11 2ckj s LEU 41 Cb -0.10 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 2ckj s LEU 41 CO 0.43 0.07 0.00 0.61 -0.29 0.00 0.00 176.35 177.17 2ckj n GLY 42 N 4.19 0.00 1.02 7.98 0.00 -1.26 -4.77 105.19 112.35 2ckj n GLY 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ckj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 44 N 2.72 1.45 0.98 0.00 0.00 -1.26 -4.23 105.19 104.86 2ckj n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ckj n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 45 N -2.00 2.24 -0.86 1.61 2.13 -1.26 -4.87 120.64 117.63 2ckj n GLU 45 Ca 0.00 -2.05 0.00 0.00 0.66 0.00 0.00 57.16 55.77 2ckj n GLU 45 Cb 0.00 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2ckj n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ckj n GLY 46 N 1.29 0.59 0.13 8.31 0.00 -1.26 -4.97 105.19 109.28 2ckj n GLY 46 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2ckj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 47 N -1.92 3.97 0.02 -0.02 0.00 -1.26 -4.62 105.19 101.35 2ckj n GLY 47 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.17 2ckj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 49 N 0.99 0.55 0.11 0.00 0.00 -0.78 -3.47 105.19 102.60 2ckj n GLY 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ckj n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 50 N 0.48 2.42 -1.78 4.61 0.00 -1.26 -3.13 120.51 121.84 2ckj n ALA 50 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2ckj n ALA 50 Cb 0.34 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.86 2ckj n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s THR 52 N -1.19 5.01 0.33 0.00 2.01 -1.18 -1.07 115.64 119.54 2ckj s THR 52 Ca 0.20 1.00 0.06 0.00 0.31 0.00 0.00 61.69 63.26 2ckj s THR 52 Cb 0.19 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2ckj s THR 52 CO -0.03 0.47 0.24 0.68 -0.69 0.00 0.00 174.62 175.29 2ckj s VAL 53 N -0.41 0.09 -0.21 3.82 -7.23 -0.74 -4.72 120.40 111.00 2ckj s VAL 53 Ca 0.26 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2ckj s VAL 53 Cb -0.17 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.33 2ckj s VAL 53 CO 0.14 0.00 -0.15 -0.32 -0.31 0.00 0.00 175.10 174.46 2ckj s MET 54 N -3.56 2.55 -0.10 4.82 1.75 0.29 -2.20 119.30 122.85 2ckj s MET 54 Ca 0.38 -1.04 -0.27 0.00 -1.25 0.00 0.00 55.69 53.52 2ckj s MET 54 Cb 0.03 -2.67 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2ckj s MET 54 CO 0.24 -0.38 0.88 -0.51 -0.65 0.00 0.00 175.02 174.59 2ckj s LEU 55 N 1.23 4.26 0.03 4.11 1.43 -0.57 -1.06 118.68 128.10 2ckj s LEU 55 Ca -0.01 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.50 2ckj s LEU 55 Cb -0.16 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2ckj s LEU 55 CO -0.09 -0.33 -0.14 -0.44 0.23 0.00 0.00 176.35 175.58 2ckj s SER 56 N 1.04 4.08 0.14 2.29 0.01 -0.03 -1.68 113.70 119.56 2ckj s SER 56 Ca 0.43 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 2ckj s SER 56 Cb -0.18 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 2ckj s SER 56 CO 0.18 0.26 0.21 -1.59 0.41 0.00 0.00 173.24 172.71 2ckj s LYS 57 N -1.46 1.05 -0.13 12.44 -2.85 -0.62 -1.35 119.74 126.83 2ckj s LYS 57 Ca 0.16 -1.21 -0.24 0.00 -1.00 0.00 0.00 55.97 53.68 2ckj s LYS 57 Cb -0.11 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2ckj s LYS 57 CO 0.06 -0.36 0.76 -0.47 0.10 0.00 0.00 175.35 175.45 2ckj s TYR 58 N -3.97 3.48 -0.05 1.78 5.04 -1.26 -2.43 117.35 119.94 2ckj s TYR 58 Ca 0.17 1.23 -0.20 0.00 -2.44 0.00 0.00 57.07 55.83 2ckj s TYR 58 Cb 0.05 -2.92 -0.14 0.00 0.35 0.00 0.00 41.96 39.30 2ckj s TYR 58 CO -0.01 -0.11 0.83 0.22 -1.34 0.00 0.00 175.55 175.14 2ckj h ASP 59 N 7.13 -0.24 0.00 4.32 1.82 -1.25 -3.47 116.42 124.74 2ckj h ASP 59 Ca -0.34 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2ckj h ASP 59 Cb 1.16 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2ckj h ASP 59 CO 0.79 0.29 0.00 -1.14 -1.61 0.00 0.00 179.24 177.57 2ckj n ARG 60 N -4.97 0.00 0.09 0.28 0.63 -1.26 -4.66 116.66 106.77 2ckj n ARG 60 Ca -0.07 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.63 2ckj n ARG 60 Cb 0.25 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.01 2ckj n ARG 60 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2ckj h LEU 61 N 0.00 0.64 -3.20 6.15 7.12 -1.96 -3.36 115.31 120.71 2ckj h LEU 61 Ca 0.00 -0.93 -0.09 0.00 0.13 0.00 0.00 57.88 57.00 2ckj h LEU 61 Cb 0.00 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.87 2ckj h LEU 61 CO 0.00 1.61 -0.19 0.00 -0.13 0.00 0.00 178.44 179.73 2ckj n GLN 62 N -3.86 1.81 -1.60 1.25 6.02 -1.26 -5.04 117.38 114.69 2ckj n GLN 62 Ca -0.18 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.68 2ckj n GLN 62 Cb 0.99 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2ckj n GLN 62 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ckj n ASN 63 N -1.10 0.00 -3.61 1.08 2.85 -1.26 -4.87 115.26 108.35 2ckj n ASN 63 Ca 0.26 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.60 2ckj n ASN 63 Cb 0.87 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.84 2ckj n ASN 63 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2ckj s LYS 64 N -0.96 1.00 -0.27 1.20 2.36 -1.26 -4.89 119.74 116.92 2ckj s LYS 64 Ca 0.00 -0.36 -0.10 0.00 -2.55 0.00 0.00 55.97 52.96 2ckj s LYS 64 Cb 0.00 0.45 -0.05 0.00 -1.05 0.00 0.00 37.83 37.19 2ckj s LYS 64 CO 0.00 -0.36 0.17 0.42 1.55 0.00 0.00 175.35 177.12 2ckj s ILE 65 N -2.70 5.11 0.19 5.43 1.01 -1.26 -0.64 121.20 128.34 2ckj s ILE 65 Ca -0.04 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2ckj s ILE 65 Cb -0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2ckj s ILE 65 CO -0.04 0.27 0.35 0.68 0.00 0.00 0.00 174.94 176.20 2ckj s VAL 66 N 1.73 5.25 -0.07 2.92 -7.23 -1.02 -4.94 120.40 117.04 2ckj s VAL 66 Ca 0.07 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2ckj s VAL 66 Cb -0.16 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2ckj s VAL 66 CO 0.09 -0.19 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.52 2ckj s HIS 67 N -1.86 1.92 0.01 2.82 3.76 -1.26 -1.59 115.29 119.09 2ckj s HIS 67 Ca 0.36 -0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 2ckj s HIS 67 Cb -0.11 -1.33 0.05 0.00 1.11 0.00 0.00 32.58 32.30 2ckj s HIS 67 CO 0.29 -0.31 0.48 -0.59 -0.85 0.00 0.00 174.74 173.77 2ckj s PHE 68 N 0.42 -0.38 0.35 1.40 -0.12 -0.68 -4.97 117.98 114.00 2ckj s PHE 68 Ca -0.14 0.52 -0.10 0.00 -0.05 0.00 0.00 56.93 57.16 2ckj s PHE 68 Cb -0.16 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.43 2ckj s PHE 68 CO 0.05 -0.55 0.70 -1.54 -0.05 0.00 0.00 175.22 173.83 2ckj s SER 69 N -1.62 6.58 0.12 1.98 1.04 -1.26 -1.51 113.70 119.02 2ckj s SER 69 Ca -0.09 1.07 -0.19 0.00 0.48 0.00 0.00 55.95 57.22 2ckj s SER 69 Cb -0.02 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.86 2ckj s SER 69 CO 0.03 -0.28 0.48 0.00 0.98 0.00 0.00 173.24 174.45 2ckj s ALA 70 N -2.17 -1.20 -0.13 5.32 0.00 -0.93 -4.44 121.76 118.21 2ckj s ALA 70 Ca 0.50 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 2ckj s ALA 70 Cb -0.10 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2ckj s ALA 70 CO 0.27 -0.65 0.07 0.54 0.00 0.00 0.00 175.76 175.99 2ckj s ASN 71 N -2.60 5.76 0.00 0.00 6.03 -1.24 -1.79 114.94 121.10 2ckj s ASN 71 Ca 0.01 0.24 0.18 0.00 -1.03 0.00 0.00 52.86 52.26 2ckj s ASN 71 Cb 0.00 -1.82 -0.00 0.00 -3.03 0.00 0.00 41.25 36.40 2ckj s ASN 71 CO -0.10 0.33 0.94 0.00 -2.03 0.00 0.00 177.10 176.24 2ckj n ALA 72 N 2.48 3.29 1.37 3.54 0.00 -0.23 -3.28 120.51 127.67 2ckj n ALA 72 Ca -0.19 -0.58 0.14 0.00 0.00 0.00 0.00 53.44 52.81 2ckj n ALA 72 Cb 0.54 -0.64 0.72 0.00 0.00 0.00 0.00 19.45 20.06 2ckj n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n LEU 74 N -1.26 0.19 -4.19 0.00 4.77 -1.20 -4.91 117.00 110.39 2ckj n LEU 74 Ca 0.14 -0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.52 2ckj n LEU 74 Cb 0.21 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 2ckj n LEU 74 CO 0.21 0.05 -0.42 0.00 -1.33 0.00 0.00 177.39 175.90 2ckj s ALA 75 N -0.15 2.67 0.12 -1.18 0.00 -1.22 -4.81 121.76 117.19 2ckj s ALA 75 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 2ckj s ALA 75 Cb 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 2ckj s ALA 75 CO 0.00 -0.77 1.17 -1.25 0.00 0.00 0.00 175.76 174.91 2ckj s PRO 76 N 1.32 4.49 0.52 0.00 0.04 -1.26 -0.37 135.00 139.75 2ckj s PRO 76 Ca 0.00 1.78 0.26 0.00 0.04 0.00 0.00 61.00 63.09 2ckj s PRO 76 Cb -0.16 -3.30 1.39 0.00 0.04 0.00 0.00 34.50 32.46 2ckj s PRO 76 CO -0.05 -0.13 1.96 -0.84 0.04 0.00 0.00 177.00 177.98 2ckj h ILE 77 N 4.11 0.69 -0.16 0.56 3.07 -1.82 0.52 117.51 124.48 2ckj h ILE 77 Ca -0.43 -0.01 0.01 0.00 1.55 0.00 0.00 64.86 65.97 2ckj h ILE 77 Cb 1.21 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 2ckj h ILE 77 CO 0.77 0.01 0.11 0.00 -1.05 0.00 0.00 178.15 177.99 2ckj h SER 79 N 0.20 0.91 0.00 0.00 4.64 -1.28 -3.29 113.55 114.74 2ckj h SER 79 Ca 0.06 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2ckj h SER 79 Cb 0.00 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2ckj h SER 79 CO -0.01 0.74 0.00 0.18 -0.87 0.00 0.00 176.83 176.87 2ckj n LEU 80 N -4.36 0.00 -4.65 5.97 4.77 -0.89 -4.89 117.00 112.95 2ckj n LEU 80 Ca 0.07 0.03 -0.49 0.00 -0.03 0.00 0.00 56.01 55.60 2ckj n LEU 80 Cb 0.10 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2ckj n LEU 80 CO 0.38 -0.03 1.18 1.57 -1.33 0.00 0.00 177.39 179.16 2ckj n HIS 81 N -1.01 2.09 -1.01 -1.77 -0.00 -1.24 -1.15 115.22 111.12 2ckj n HIS 81 Ca 0.00 0.33 -0.00 0.00 0.46 0.00 0.00 57.72 58.51 2ckj n HIS 81 Cb 0.00 -2.51 -0.00 0.00 -0.12 0.00 0.00 29.99 27.36 2ckj n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ckj n HIS 82 N 3.84 0.00 -3.74 1.57 8.25 0.18 -5.02 115.22 120.30 2ckj n HIS 82 Ca 0.19 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.41 2ckj n HIS 82 Cb 0.26 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 2ckj n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ckj s VAL 83 N -1.78 5.21 -0.15 1.59 1.01 -0.30 -4.72 120.40 121.26 2ckj s VAL 83 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2ckj s VAL 83 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2ckj s VAL 83 CO 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 175.10 174.64 2ckj s ALA 84 N -2.02 2.56 -0.21 5.51 0.00 -0.46 -2.16 121.76 124.98 2ckj s ALA 84 Ca 0.37 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 2ckj s ALA 84 Cb -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2ckj s ALA 84 CO 0.31 0.03 0.11 0.08 0.00 0.00 0.00 175.76 176.29 2ckj s VAL 85 N 0.72 5.06 -0.07 0.00 1.01 0.28 -0.85 120.40 126.55 2ckj s VAL 85 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2ckj s VAL 85 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2ckj s VAL 85 CO 0.02 0.40 -0.02 -0.89 0.00 0.00 0.00 175.10 174.60 2ckj s THR 86 N 0.77 4.10 0.53 3.92 2.01 -0.23 0.57 115.64 127.32 2ckj s THR 86 Ca 0.06 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2ckj s THR 86 Cb -0.13 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.68 2ckj s THR 86 CO 0.02 0.59 0.23 0.28 -0.69 0.00 0.00 174.62 175.05 2ckj s THR 87 N -0.87 1.46 0.13 -0.82 -1.32 -1.26 -0.55 115.64 112.41 2ckj s THR 87 Ca 0.13 -1.70 -0.16 0.00 -1.21 0.00 0.00 61.69 58.75 2ckj s THR 87 Cb -0.11 -2.16 -0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2ckj s THR 87 CO 0.02 0.00 1.69 1.62 -2.21 0.00 0.00 174.62 175.74 2ckj h VAL 88 N 1.01 1.19 -0.04 5.08 3.04 -1.87 -2.84 116.25 121.82 2ckj h VAL 88 Ca -0.40 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 2ckj h VAL 88 Cb 1.31 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2ckj h VAL 88 CO 0.64 0.22 0.00 -1.84 -1.01 0.00 0.00 177.57 175.58 2ckj n GLU 89 N -4.64 1.18 0.06 4.17 0.00 -1.26 -2.63 120.64 117.52 2ckj n GLU 89 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.11 2ckj n GLU 89 Cb 0.14 -1.39 -0.02 0.00 0.00 0.00 0.00 31.44 30.18 2ckj n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 90 N 0.20 -1.31 0.01 -1.84 0.00 -1.07 -4.49 105.19 96.68 2ckj n GLY 90 Ca 0.02 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.80 2ckj n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ckj n ILE 91 N -2.39 0.00 0.00 -0.61 -5.35 -1.08 -4.95 119.36 104.98 2ckj n ILE 91 Ca -0.00 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2ckj n ILE 91 Cb 0.52 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 2ckj n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ckj n GLY 92 N 1.42 2.97 3.25 3.28 0.00 -1.26 -4.38 105.19 110.47 2ckj n GLY 92 Ca -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2ckj n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 93 N 0.00 0.10 0.40 1.61 1.04 -1.02 -4.71 113.70 111.11 2ckj s SER 93 Ca 0.00 -0.74 0.29 0.00 0.48 0.00 0.00 55.95 55.98 2ckj s SER 93 Cb 0.00 0.37 1.31 0.00 0.10 0.00 0.00 66.02 67.80 2ckj s SER 93 CO 0.00 -0.79 1.86 0.71 0.98 0.00 0.00 173.24 176.00 2ckj h THR 94 N 2.68 0.00 -0.00 2.02 1.35 -1.91 -1.77 112.91 115.28 2ckj h THR 94 Ca -0.33 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2ckj h THR 94 Cb 1.21 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2ckj h THR 94 CO 0.53 0.00 -0.16 0.29 -0.25 0.00 0.00 175.52 175.93 2ckj n LYS 95 N -2.58 0.56 0.00 4.72 4.01 -1.26 -4.84 118.16 118.77 2ckj n LYS 95 Ca 0.00 -0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 2ckj n LYS 95 Cb 0.19 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 2ckj n LYS 95 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2ckj n THR 96 N -1.03 0.00 -4.10 -0.18 -2.24 -0.70 -5.13 114.28 100.90 2ckj n THR 96 Ca 0.12 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.74 2ckj n THR 96 Cb 0.30 -0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 2ckj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 97 N 0.00 0.42 0.34 -0.78 1.81 -0.96 -4.98 118.95 114.81 2ckj s ARG 97 Ca 0.00 -0.12 -0.28 0.00 -1.72 0.00 0.00 55.73 53.62 2ckj s ARG 97 Cb 0.00 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.96 2ckj s ARG 97 CO 0.00 0.04 1.19 -0.51 -0.68 0.00 0.00 175.30 175.34 2ckj s LEU 98 N 0.22 4.37 0.43 2.53 1.43 -1.19 -2.44 118.68 124.02 2ckj s LEU 98 Ca -0.02 2.43 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 2ckj s LEU 98 Cb -0.06 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 2ckj s LEU 98 CO -0.00 -0.47 1.15 -2.28 0.23 0.00 0.00 176.35 174.97 2ckj s HIS 99 N -1.26 3.01 0.55 0.29 5.65 -1.26 -4.78 115.29 117.50 2ckj s HIS 99 Ca 0.51 1.56 0.29 0.00 0.25 0.00 0.00 55.06 57.67 2ckj s HIS 99 Cb -0.34 -3.35 1.46 0.00 -1.18 0.00 0.00 32.58 29.18 2ckj s HIS 99 CO 0.44 -1.30 1.91 -1.00 -0.65 0.00 0.00 174.74 174.14 2ckj h PRO 100 N 2.35 0.00 0.00 2.88 0.13 -1.95 0.18 132.00 135.59 2ckj h PRO 100 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2ckj h PRO 100 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ckj h PRO 100 CO 0.61 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 178.61 2ckj h VAL 101 N 0.00 0.18 0.09 1.56 2.07 -1.95 -0.43 116.25 117.77 2ckj h VAL 101 Ca 0.31 -0.55 -0.28 0.00 0.82 0.00 0.00 66.70 67.00 2ckj h VAL 101 Cb 1.38 1.46 0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2ckj h VAL 101 CO -0.00 0.06 -1.17 1.56 0.02 0.00 0.00 177.57 178.03 2ckj h GLN 102 N 0.00 0.57 0.00 1.57 4.20 -1.07 -3.35 115.11 117.03 2ckj h GLN 102 Ca -0.00 -0.73 -0.10 0.00 0.06 0.00 0.00 58.65 57.89 2ckj h GLN 102 Cb 0.45 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2ckj h GLN 102 CO 0.01 1.31 -0.93 1.05 -0.67 0.00 0.00 178.83 179.60 2ckj h GLU 103 N 0.27 0.00 -0.00 1.46 4.11 -0.10 -3.22 114.58 117.10 2ckj h GLU 103 Ca -0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.10 2ckj h GLU 103 Cb 1.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.10 2ckj h GLU 103 CO 0.22 0.25 -0.68 0.00 0.07 0.00 0.00 179.01 178.87 2ckj h ARG 104 N 0.00 0.47 -0.07 1.06 3.08 -1.26 -2.13 114.38 115.51 2ckj h ARG 104 Ca -0.07 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.45 2ckj h ARG 104 Cb 1.34 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 2ckj h ARG 104 CO 0.04 1.14 -0.11 0.97 -1.07 0.00 0.00 179.97 180.94 2ckj h ILE 105 N -0.01 1.12 -0.08 2.04 2.10 -1.69 -2.02 117.51 118.97 2ckj h ILE 105 Ca -0.08 -0.56 -0.23 0.00 1.08 0.00 0.00 64.86 65.07 2ckj h ILE 105 Cb 1.37 1.19 0.01 0.00 -1.09 0.00 0.00 36.82 38.31 2ckj h ILE 105 CO 0.13 0.17 -0.85 0.00 -1.08 0.00 0.00 178.15 176.53 2ckj h ALA 106 N 1.79 0.21 -0.00 0.18 0.00 -1.56 -1.78 119.26 118.09 2ckj h ALA 106 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2ckj h ALA 106 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ckj h ALA 106 CO 0.02 0.63 -0.09 1.63 0.00 0.00 0.00 179.25 181.43 2ckj n LYS 107 N -3.96 0.30 -0.42 0.00 5.02 -0.80 -3.48 118.16 114.81 2ckj n LYS 107 Ca -0.09 -0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2ckj n LYS 107 Cb 0.78 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.55 2ckj n LYS 107 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ckj n SER 108 N -1.30 3.85 -3.46 4.39 3.41 -0.87 -4.85 113.62 114.80 2ckj n SER 108 Ca 0.11 -2.68 -0.19 0.00 -0.26 0.00 0.00 58.87 55.84 2ckj n SER 108 Cb 0.30 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.84 2ckj n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ckj n HIS 109 N 0.01 -2.20 0.45 7.33 8.25 -1.23 -4.79 115.22 123.06 2ckj n HIS 109 Ca 0.20 0.82 0.05 0.00 -0.26 0.00 0.00 57.72 58.53 2ckj n HIS 109 Cb 0.79 -4.35 0.05 0.00 1.12 0.00 0.00 29.99 27.60 2ckj n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ckj n GLY 110 N -1.34 -0.36 2.83 -1.41 0.00 -0.67 -4.74 105.19 99.51 2ckj n GLY 110 Ca -0.18 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 2ckj n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 111 N -0.91 3.02 0.00 1.61 0.15 -1.26 -4.83 113.70 111.49 2ckj s SER 111 Ca 0.13 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2ckj s SER 111 Cb 0.09 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2ckj s SER 111 CO 0.14 -0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.33 2ckj n GLN 112 N 4.92 0.00 -0.34 5.44 6.02 -1.26 -4.85 117.38 127.30 2ckj n GLN 112 Ca -0.10 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.10 2ckj n GLN 112 Cb 0.47 0.00 0.46 0.00 1.02 0.00 0.00 30.24 32.19 2ckj n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ckj n GLY 114 N -1.38 0.43 0.17 0.00 0.00 -1.26 -4.67 105.19 98.48 2ckj n GLY 114 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2ckj n GLY 114 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ckj h PHE 115 N 0.00 0.84 0.00 1.61 3.57 -1.91 -2.77 116.94 118.28 2ckj h PHE 115 Ca 0.00 -0.48 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2ckj h PHE 115 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2ckj h PHE 115 CO 0.00 1.32 0.00 0.00 -2.23 0.00 0.00 178.31 177.40 2ckj h THR 117 N 0.00 0.75 -0.99 0.00 2.02 -1.80 -2.34 112.91 110.55 2ckj h THR 117 Ca 0.00 -0.57 0.12 0.00 0.77 0.00 0.00 66.41 66.73 2ckj h THR 117 Cb 0.00 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 2ckj h THR 117 CO 0.00 0.12 0.62 -0.65 0.37 0.00 0.00 175.52 175.98 2ckj h PRO 118 N -0.69 0.96 -0.54 6.66 0.11 -1.79 0.14 132.00 136.85 2ckj h PRO 118 Ca -0.04 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.07 2ckj h PRO 118 Cb 0.48 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 2ckj h PRO 118 CO 0.06 0.63 -0.57 0.78 -0.21 0.00 0.00 178.00 178.70 2ckj h GLY 119 N 0.99 -0.97 1.32 -0.55 0.00 -1.75 0.53 103.07 102.63 2ckj h GLY 119 Ca 0.49 0.74 -0.12 0.00 0.00 0.00 0.00 47.33 48.44 2ckj h GLY 119 CO -0.26 -0.08 -0.25 -2.22 0.00 0.00 0.00 176.54 173.73 2ckj h ILE 120 N -0.31 1.27 -0.22 2.60 2.04 -0.97 -2.48 117.51 119.45 2ckj h ILE 120 Ca 0.09 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.64 2ckj h ILE 120 Cb 0.56 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 2ckj h ILE 120 CO -0.68 0.46 -0.36 0.58 0.00 0.00 0.00 178.15 178.15 2ckj h VAL 121 N 0.68 0.22 -0.39 1.67 2.07 -0.32 -2.14 116.25 118.03 2ckj h VAL 121 Ca 0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 2ckj h VAL 121 Cb 0.77 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2ckj h VAL 121 CO 0.06 0.00 -0.15 0.24 0.02 0.00 0.00 177.57 177.75 2ckj h MET 122 N -0.38 0.72 -0.60 1.57 2.86 -0.85 -0.02 114.93 118.23 2ckj h MET 122 Ca 0.11 -0.25 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 2ckj h MET 122 Cb 0.57 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.07 2ckj h MET 122 CO -0.43 0.83 -0.06 0.77 1.06 0.00 0.00 176.91 179.08 2ckj h SER 123 N 0.64 -0.38 0.08 1.22 0.02 -1.09 -1.40 113.55 112.64 2ckj h SER 123 Ca 0.11 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2ckj h SER 123 Cb 0.61 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2ckj h SER 123 CO 0.04 -0.15 -0.04 -0.03 -1.14 0.00 0.00 176.83 175.51 2ckj h MET 124 N 0.07 -0.11 -0.94 3.45 -1.53 -0.73 -2.82 114.93 112.33 2ckj h MET 124 Ca 0.31 0.01 0.28 0.00 -3.44 0.00 0.00 59.70 56.85 2ckj h MET 124 Cb 0.49 0.02 -0.16 0.00 -0.55 0.00 0.00 31.60 31.40 2ckj h MET 124 CO -0.56 0.28 0.25 -0.92 0.14 0.00 0.00 176.91 176.11 2ckj h TYR 125 N -0.52 0.37 0.03 1.39 3.20 -0.73 -1.19 116.97 119.52 2ckj h TYR 125 Ca -0.01 0.05 -0.27 0.00 3.14 0.00 0.00 58.73 61.65 2ckj h TYR 125 Cb 0.44 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.72 2ckj h TYR 125 CO 0.06 -0.31 -1.07 1.15 -1.64 0.00 0.00 178.16 176.34 2ckj h THR 126 N 0.13 1.32 -0.79 1.81 2.02 -1.09 -3.03 112.91 113.27 2ckj h THR 126 Ca 0.63 -2.37 0.10 0.00 0.77 0.00 0.00 66.41 65.53 2ckj h THR 126 Cb 1.37 2.48 -0.07 0.00 -1.74 0.00 0.00 68.15 70.18 2ckj h THR 126 CO -0.74 0.72 0.43 0.25 0.37 0.00 0.00 175.52 176.55 2ckj h LEU 127 N 0.32 0.60 -1.64 2.58 5.85 -0.97 -1.60 115.31 120.44 2ckj h LEU 127 Ca -0.13 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2ckj h LEU 127 Cb 1.73 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 2ckj h LEU 127 CO 0.20 0.33 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.40 2ckj h LEU 128 N 0.72 0.00 0.00 2.25 3.38 -1.39 -0.15 115.31 120.12 2ckj h LEU 128 Ca 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 2ckj h LEU 128 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2ckj h LEU 128 CO -0.26 0.16 -0.54 -0.09 0.09 0.00 0.00 178.44 177.79 2ckj h ARG 129 N 0.00 0.00 0.00 1.13 9.65 -1.20 -3.21 114.38 120.75 2ckj h ARG 129 Ca -0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2ckj h ARG 129 Cb 0.48 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 2ckj h ARG 129 CO 0.02 0.14 -2.04 0.09 2.80 0.00 0.00 179.97 180.98 2ckj n ASN 130 N -2.99 0.53 -3.23 -3.80 3.02 -0.74 -4.87 115.26 103.18 2ckj n ASN 130 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.53 2ckj n ASN 130 Cb 0.62 1.49 -0.03 0.00 -0.61 0.00 0.00 39.78 41.25 2ckj n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 131 N -2.97 0.57 0.00 3.52 2.00 -0.14 -5.04 119.66 117.60 2ckj s GLN 131 Ca -0.08 0.12 0.28 0.00 -2.00 0.00 0.00 55.36 53.68 2ckj s GLN 131 Cb 0.09 -0.06 0.98 0.00 0.80 0.00 0.00 33.01 34.83 2ckj s GLN 131 CO 0.78 -1.09 1.70 -0.35 -0.50 0.00 0.00 175.29 175.84 2ckj n PRO 132 N 5.10 1.31 -3.30 1.67 -0.04 -1.25 -3.90 135.00 134.60 2ckj n PRO 132 Ca 0.05 -0.73 -0.09 0.00 -0.04 0.00 0.00 63.50 62.69 2ckj n PRO 132 Cb 0.52 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2ckj n PRO 132 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ckj s GLU 133 N -2.20 0.69 0.69 0.54 2.12 -1.26 -4.97 118.70 114.31 2ckj s GLU 133 Ca 0.33 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 2ckj s GLU 133 Cb 0.20 -0.37 0.08 0.00 0.26 0.00 0.00 34.13 34.30 2ckj s GLU 133 CO 0.41 -1.18 0.99 -1.25 -0.54 0.00 0.00 175.26 173.68 2ckj s PRO 134 N 1.70 2.06 0.07 4.30 0.04 -1.25 -4.85 135.00 137.06 2ckj s PRO 134 Ca 0.16 -0.51 -0.01 0.00 0.04 0.00 0.00 61.00 60.68 2ckj s PRO 134 Cb -0.11 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2ckj s PRO 134 CO -0.07 -1.25 0.23 0.95 0.04 0.00 0.00 177.00 176.89 2ckj s THR 135 N -3.18 5.36 0.52 1.26 -4.23 -1.26 -3.28 115.64 110.83 2ckj s THR 135 Ca 0.62 -0.33 0.19 0.00 -1.18 0.00 0.00 61.69 60.99 2ckj s THR 135 Cb -0.09 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.40 2ckj s THR 135 CO 0.44 0.13 2.14 0.24 -0.54 0.00 0.00 174.62 177.04 2ckj h MET 136 N 3.08 0.00 0.00 3.99 2.86 -1.94 0.23 114.93 123.15 2ckj h MET 136 Ca -0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 2ckj h MET 136 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 2ckj h MET 136 CO 0.75 0.03 -0.24 1.49 1.06 0.00 0.00 176.91 180.00 2ckj h GLU 137 N 0.00 0.00 0.00 1.72 4.81 -1.98 -2.99 114.58 116.13 2ckj h GLU 137 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2ckj h GLU 137 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2ckj h GLU 137 CO 0.00 0.24 -0.38 0.93 -0.73 0.00 0.00 179.01 179.07 2ckj h GLU 138 N 0.00 0.00 0.00 1.92 5.08 -0.93 -3.07 114.58 117.58 2ckj h GLU 138 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2ckj h GLU 138 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ckj h GLU 138 CO 0.03 0.37 -0.65 0.82 -1.00 0.00 0.00 179.01 178.59 2ckj h ILE 139 N 0.00 0.35 0.00 3.13 2.04 -1.49 -3.10 117.51 118.44 2ckj h ILE 139 Ca -0.00 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2ckj h ILE 139 Cb 1.29 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2ckj h ILE 139 CO 0.05 0.20 0.02 1.21 0.00 0.00 0.00 178.15 179.63 2ckj n GLU 140 N -3.00 0.00 0.00 2.37 4.07 -1.14 -2.95 120.64 119.99 2ckj n GLU 140 Ca -0.00 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2ckj n GLU 140 Cb 0.65 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 2ckj n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ckj n ASN 141 N -1.26 0.00 0.00 4.31 2.85 -1.22 -4.37 115.26 115.58 2ckj n ASN 141 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 2ckj n ASN 141 Cb 0.02 0.00 0.44 0.00 1.24 0.00 0.00 39.78 41.48 2ckj n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckj n ALA 142 N 0.00 1.94 -0.36 5.20 0.00 -1.15 -3.88 120.51 122.27 2ckj n ALA 142 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2ckj n ALA 142 Cb 0.00 -1.30 0.21 0.00 0.00 0.00 0.00 19.45 18.36 2ckj n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ckj n PHE 143 N -1.37 0.70 0.17 0.00 3.72 -1.26 -4.43 117.46 115.00 2ckj n PHE 143 Ca 0.07 -0.56 0.04 0.00 -0.05 0.00 0.00 57.45 56.95 2ckj n PHE 143 Cb 0.18 -0.08 0.45 0.00 -0.94 0.00 0.00 39.48 39.08 2ckj n PHE 143 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2ckj h GLN 144 N 2.52 0.11 -0.57 -1.08 4.20 -1.85 -2.15 115.11 116.30 2ckj h GLN 144 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2ckj h GLN 144 Cb 0.93 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2ckj h GLN 144 CO 0.05 0.27 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 2ckj n GLY 145 N -0.96 1.63 3.28 3.46 0.00 -1.26 -4.81 105.19 106.52 2ckj n GLY 145 Ca -0.02 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2ckj n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 146 N -0.79 3.24 -0.04 1.61 -0.87 -0.81 -1.86 114.94 115.42 2ckj s ASN 146 Ca 0.31 -0.49 0.03 0.00 -1.57 0.00 0.00 52.86 51.14 2ckj s ASN 146 Cb 0.20 -1.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.32 2ckj s ASN 146 CO 0.16 0.21 -0.11 -0.76 -2.57 0.00 0.00 177.10 174.03 2ckj s LEU 147 N 0.03 1.76 -0.07 0.60 1.43 -1.23 -4.62 118.68 116.58 2ckj s LEU 147 Ca -0.09 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2ckj s LEU 147 Cb -0.15 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 2ckj s LEU 147 CO 0.05 0.07 -0.24 0.00 0.23 0.00 0.00 176.35 176.47 2ckj h ARG 149 N 6.31 -0.01 0.00 0.00 9.65 -1.92 -3.43 114.38 124.98 2ckj h ARG 149 Ca -0.28 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.55 2ckj h ARG 149 Cb 1.20 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.77 2ckj h ARG 149 CO 0.47 0.83 -0.24 0.00 2.80 0.00 0.00 179.97 183.83 2ckj n THR 151 N -4.08 0.00 -1.81 0.00 -2.24 -1.26 -4.34 114.28 100.54 2ckj n THR 151 Ca -0.02 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2ckj n THR 151 Cb 0.30 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 2ckj n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 152 N 1.42 0.87 4.19 3.38 0.00 -1.26 -4.21 105.19 109.57 2ckj n GLY 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ckj n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ckj n TYR 153 N -2.67 0.00 0.14 1.61 4.02 -1.26 -4.80 117.16 114.20 2ckj n TYR 153 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.57 2ckj n TYR 153 Cb 0.59 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.78 2ckj n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2ckj h ARG 154 N 0.41 -0.32 -0.69 -0.72 2.43 -1.99 -1.80 114.38 111.70 2ckj h ARG 154 Ca 0.00 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 2ckj h ARG 154 Cb 0.00 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 2ckj h ARG 154 CO 0.00 -0.10 0.17 -1.00 -1.51 0.00 0.00 179.97 177.54 2ckj h PRO 155 N -0.50 0.28 0.49 0.20 0.13 -1.85 -1.08 132.00 129.66 2ckj h PRO 155 Ca -0.03 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2ckj h PRO 155 Cb 0.38 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2ckj h PRO 155 CO 0.06 0.18 -0.31 0.82 -0.23 0.00 0.00 178.00 178.52 2ckj h ILE 156 N 0.28 0.35 -0.20 -3.56 2.04 -1.76 1.07 117.51 115.74 2ckj h ILE 156 Ca 0.38 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.25 2ckj h ILE 156 Cb 0.62 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2ckj h ILE 156 CO -0.46 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 177.75 2ckj h LEU 157 N -0.77 0.21 0.00 1.44 3.38 -0.38 -2.26 115.31 116.93 2ckj h LEU 157 Ca -0.05 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2ckj h LEU 157 Cb 0.63 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2ckj h LEU 157 CO 0.05 0.15 -1.09 -0.61 0.09 0.00 0.00 178.44 177.03 2ckj h GLN 158 N 0.25 0.00 0.70 1.13 4.15 -0.63 -0.03 115.11 120.68 2ckj h GLN 158 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2ckj h GLN 158 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2ckj h GLN 158 CO -0.02 0.20 -0.47 0.78 -1.93 0.00 0.00 178.83 177.40 2ckj h GLY 159 N 3.80 -1.25 1.79 2.39 0.00 0.17 -3.31 103.07 106.65 2ckj h GLY 159 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2ckj h GLY 159 CO 0.03 -0.42 -0.15 0.69 0.00 0.00 0.00 176.54 176.69 2ckj n PHE 160 N -5.59 0.71 -0.32 5.60 3.72 -0.90 -2.78 117.46 117.91 2ckj n PHE 160 Ca -0.14 0.21 0.20 0.00 -0.05 0.00 0.00 57.45 57.67 2ckj n PHE 160 Cb 0.47 -0.81 0.47 0.00 -0.94 0.00 0.00 39.48 38.67 2ckj n PHE 160 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2ckj h ARG 161 N 0.00 0.46 -0.91 -1.08 0.11 -1.08 -0.51 114.38 111.37 2ckj h ARG 161 Ca 0.00 -0.03 0.26 0.00 0.10 0.00 0.00 59.98 60.32 2ckj h ARG 161 Cb 0.70 -0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.64 2ckj h ARG 161 CO 0.00 0.31 0.93 0.00 0.10 0.00 0.00 179.97 181.31 2ckj h THR 162 N 0.48 0.17 -0.28 0.08 1.03 -1.72 -0.77 112.91 111.90 2ckj h THR 162 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.98 2ckj h THR 162 Cb 1.33 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 2ckj h THR 162 CO -0.31 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 175.69 2ckj n PHE 163 N -3.55 0.50 -3.58 0.00 3.01 -0.20 -4.94 117.46 108.71 2ckj n PHE 163 Ca 0.20 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2ckj n PHE 163 Cb 1.23 -0.07 -0.16 0.00 -0.01 0.00 0.00 39.48 40.47 2ckj n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ckj s ALA 164 N -1.63 0.16 0.00 4.37 0.00 -0.30 -4.24 121.76 120.12 2ckj s ALA 164 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2ckj s ALA 164 Cb 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2ckj s ALA 164 CO 0.12 -1.09 0.00 0.54 0.00 0.00 0.00 175.76 175.33 2ckj n ARG 165 N 5.30 0.00 0.00 0.00 1.74 -1.20 -4.75 116.66 117.75 2ckj n ARG 165 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2ckj n ARG 165 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2ckj n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ckj n PRO 193 N 0.00 0.00 -1.53 5.56 -0.04 -1.26 -4.70 135.00 133.03 2ckj n PRO 193 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2ckj n PRO 193 Cb 0.00 -0.05 0.07 0.00 -0.04 0.00 0.00 33.50 33.48 2ckj n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ckj s SER 194 N 0.00 4.90 0.41 3.54 0.15 -1.26 -4.82 113.70 116.62 2ckj s SER 194 Ca 0.00 1.87 0.22 0.00 0.70 0.00 0.00 55.95 58.74 2ckj s SER 194 Cb 0.00 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.43 2ckj s SER 194 CO 0.00 -1.77 1.71 -0.07 1.20 0.00 0.00 173.24 174.31 2ckj h LEU 195 N -0.55 0.00 -7.00 3.45 3.38 -1.98 -3.49 115.31 109.13 2ckj h LEU 195 Ca -0.45 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.70 2ckj h LEU 195 Cb 1.23 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.67 2ckj h LEU 195 CO 0.53 0.24 0.65 0.72 0.09 0.00 0.00 178.44 180.68 2ckj s PHE 196 N -3.41 -0.21 -0.62 1.13 -0.12 -1.26 -5.01 117.98 108.48 2ckj s PHE 196 Ca 0.02 0.43 -0.20 0.00 -0.05 0.00 0.00 56.93 57.13 2ckj s PHE 196 Cb 0.09 0.14 0.09 0.00 -0.63 0.00 0.00 43.02 42.71 2ckj s PHE 196 CO 0.66 -0.10 0.80 0.15 -0.05 0.00 0.00 175.22 176.68 2ckj s LYS 197 N 1.08 3.07 0.00 1.99 1.02 -1.26 -4.83 119.74 120.81 2ckj s LYS 197 Ca -0.08 -1.14 0.29 0.00 0.02 0.00 0.00 55.97 55.07 2ckj s LYS 197 Cb -0.03 -4.25 1.72 0.00 -0.52 0.00 0.00 37.83 34.75 2ckj s LYS 197 CO -0.11 -1.64 2.07 -2.30 -0.92 0.00 0.00 175.35 172.45 2ckj n PRO 198 N 6.84 0.87 0.00 -1.68 -0.02 -1.26 -0.48 135.00 139.27 2ckj n PRO 198 Ca -0.07 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2ckj n PRO 198 Cb 0.44 -1.50 0.56 0.00 -0.02 0.00 0.00 33.50 32.98 2ckj n PRO 198 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ckj n GLU 199 N -1.02 0.35 -0.09 -0.52 0.00 -1.26 -3.70 120.64 114.40 2ckj n GLU 199 Ca 0.21 -0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.39 2ckj n GLU 199 Cb 0.11 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.20 2ckj n GLU 199 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2ckj n GLU 200 N -1.23 2.38 -1.72 3.44 0.28 0.36 -4.96 120.64 119.19 2ckj n GLU 200 Ca 0.11 -2.08 -0.42 0.00 -0.16 0.00 0.00 57.16 54.60 2ckj n GLU 200 Cb 0.30 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 2ckj n GLU 200 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ckj n PHE 201 N 1.40 2.75 -2.44 -1.84 0.99 -1.24 -5.00 117.46 112.07 2ckj n PHE 201 Ca 0.16 0.13 -0.41 0.00 -0.00 0.00 0.00 57.45 57.33 2ckj n PHE 201 Cb 0.60 -2.64 -0.04 0.00 -1.00 0.00 0.00 39.48 36.40 2ckj n PHE 201 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2ckj s THR 202 N 0.74 3.72 0.04 4.37 -4.23 -1.26 -4.99 115.64 114.02 2ckj s THR 202 Ca 0.71 1.46 -0.13 0.00 -1.18 0.00 0.00 61.69 62.56 2ckj s THR 202 Cb -0.52 -3.93 -0.34 0.00 1.34 0.00 0.00 72.50 69.05 2ckj s THR 202 CO 0.38 0.24 1.02 1.55 -0.54 0.00 0.00 174.62 177.27 2ckj h PRO 203 N 5.19 0.48 0.00 3.99 0.14 -2.00 -3.44 132.00 136.35 2ckj h PRO 203 Ca -0.44 -0.82 0.00 0.00 0.14 0.00 0.00 66.00 64.88 2ckj h PRO 203 Cb 1.21 0.30 0.00 0.00 0.14 0.00 0.00 31.00 32.66 2ckj h PRO 203 CO 0.73 1.39 0.00 -0.11 0.14 0.00 0.00 178.00 180.15 2ckj n LEU 204 N -3.67 0.00 -3.80 1.56 7.94 -1.26 -5.06 117.00 112.71 2ckj n LEU 204 Ca -0.15 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.45 2ckj n LEU 204 Cb 1.09 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.89 2ckj n LEU 204 CO 0.59 0.00 -0.34 -0.62 -1.11 0.00 0.00 177.39 175.91 2ckj s ASP 205 N 0.00 4.11 0.05 1.96 -1.08 -1.26 -5.01 116.67 115.44 2ckj s ASP 205 Ca 0.00 -1.67 0.20 0.00 -0.52 0.00 0.00 52.55 50.56 2ckj s ASP 205 Cb 0.00 -1.01 0.84 0.00 -1.46 0.00 0.00 42.92 41.29 2ckj s ASP 205 CO 0.00 -0.39 1.64 -2.65 0.52 0.00 0.00 175.17 174.29 2ckj n PRO 206 N 4.73 0.04 0.09 4.34 -0.02 -1.26 -1.70 135.00 141.23 2ckj n PRO 206 Ca -0.02 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 2ckj n PRO 206 Cb 0.42 -1.57 0.33 0.00 -0.02 0.00 0.00 33.50 32.66 2ckj n PRO 206 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ckj n THR 207 N -1.65 1.42 -0.48 3.45 -2.24 -1.26 -3.29 114.28 110.23 2ckj n THR 207 Ca 0.04 0.58 0.08 0.00 -2.27 0.00 0.00 64.05 62.49 2ckj n THR 207 Cb 0.24 -1.57 0.25 0.00 -2.10 0.00 0.00 70.33 67.15 2ckj n THR 207 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2ckj n GLN 208 N -1.91 3.11 -2.09 -0.78 -0.06 -0.69 -4.96 117.38 110.01 2ckj n GLN 208 Ca -0.00 -2.51 -0.32 0.00 -2.00 0.00 0.00 57.00 52.17 2ckj n GLN 208 Cb 0.04 -1.59 -0.00 0.00 -4.06 0.00 0.00 30.24 24.62 2ckj n GLN 208 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2ckj s GLU 209 N -1.59 3.63 0.61 3.69 0.41 -1.21 -5.07 118.70 119.18 2ckj s GLU 209 Ca 0.38 0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 55.74 2ckj s GLU 209 Cb 0.24 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.47 2ckj s GLU 209 CO 0.19 -0.54 1.03 -1.25 -0.49 0.00 0.00 175.26 174.20 2ckj s PRO 210 N -4.51 3.47 -0.07 0.39 0.04 -1.26 -5.00 135.00 128.06 2ckj s PRO 210 Ca 0.58 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.39 2ckj s PRO 210 Cb -0.12 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2ckj s PRO 210 CO 0.42 -0.67 0.34 -1.50 0.04 0.00 0.00 177.00 175.62 2ckj s ILE 211 N -2.94 5.20 -0.03 0.56 -1.16 -1.26 -5.03 121.20 116.55 2ckj s ILE 211 Ca 0.58 0.67 -0.30 0.00 -0.51 0.00 0.00 60.65 61.09 2ckj s ILE 211 Cb -0.12 -3.65 -0.07 0.00 0.61 0.00 0.00 42.46 39.23 2ckj s ILE 211 CO 0.47 0.52 1.90 0.12 -2.81 0.00 0.00 174.94 175.14 2ckj s PHE 212 N -0.53 1.47 0.25 3.50 5.36 -1.26 -4.76 117.98 122.01 2ckj s PHE 212 Ca 0.21 -0.15 -0.31 0.00 -0.96 0.00 0.00 56.93 55.72 2ckj s PHE 212 Cb -0.15 -4.12 -0.12 0.00 -0.34 0.00 0.00 43.02 38.29 2ckj s PHE 212 CO 0.09 -4.87 1.67 -2.14 -1.46 0.00 0.00 175.22 168.51 2ckj s PRO 213 N 4.59 4.12 0.00 10.12 0.02 -1.26 -4.83 135.00 147.75 2ckj s PRO 213 Ca 0.85 2.60 0.30 0.00 0.02 0.00 0.00 61.00 64.78 2ckj s PRO 213 Cb -0.38 -3.05 1.46 0.00 0.02 0.00 0.00 34.50 32.54 2ckj s PRO 213 CO 0.37 -0.71 2.02 -0.35 -0.33 0.00 0.00 177.00 178.01 2ckj n PRO 214 N 3.20 0.36 -0.03 5.54 -0.04 -1.26 -3.27 135.00 139.50 2ckj n PRO 214 Ca 0.13 -0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2ckj n PRO 214 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 2ckj n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ckj h GLU 215 N 0.02 0.21 -7.13 0.54 4.81 -1.99 -3.24 114.58 107.81 2ckj h GLU 215 Ca 0.00 -0.19 -0.52 0.00 -0.13 0.00 0.00 59.36 58.52 2ckj h GLU 215 Cb 0.33 0.04 0.20 0.00 0.63 0.00 0.00 28.75 29.95 2ckj h GLU 215 CO 0.00 0.86 -0.01 1.28 -0.73 0.00 0.00 179.01 180.41 2ckj n LEU 216 N -4.53 2.30 0.00 1.64 4.77 -1.20 -1.17 117.00 118.81 2ckj n LEU 216 Ca -0.09 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2ckj n LEU 216 Cb 0.46 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2ckj n LEU 216 CO 0.39 -2.59 0.00 0.18 -1.33 0.00 0.00 177.39 174.04 2ckj n LEU 217 N -3.41 0.00 0.07 2.23 4.77 -1.26 -4.38 117.00 115.01 2ckj n LEU 217 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2ckj n LEU 217 Cb 0.52 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 2ckj n LEU 217 CO 0.49 0.00 0.14 -1.14 -1.33 0.00 0.00 177.39 175.55 2ckj n ARG 218 N 0.00 0.41 0.00 3.23 0.63 -0.32 -4.58 116.66 116.03 2ckj n ARG 218 Ca 0.00 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2ckj n ARG 218 Cb 0.00 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.20 2ckj n ARG 218 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ckj n LEU 219 N -2.28 0.00 0.00 6.15 7.99 -1.11 -4.60 117.00 123.15 2ckj n LEU 219 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2ckj n LEU 219 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2ckj n LEU 219 CO 0.39 0.00 0.00 2.29 -1.51 0.00 0.00 177.39 178.56 2ckj n LYS 220 N 0.00 0.00 0.00 3.23 2.85 -1.26 -3.02 118.16 119.96 2ckj n LYS 220 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2ckj n LYS 220 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2ckj n LYS 220 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ckj n ASP 221 N 0.00 0.00 -0.84 -5.58 8.00 -1.26 -4.97 116.55 111.90 2ckj n ASP 221 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2ckj n ASP 221 Cb 0.00 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 2ckj n ASP 221 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ckj n THR 222 N -1.81 0.00 -2.56 -3.53 -1.04 -1.17 -4.86 114.28 99.32 2ckj n THR 222 Ca 0.00 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 2ckj n THR 222 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2ckj n THR 222 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ckj s PRO 223 N 1.16 3.75 0.22 -2.82 0.04 -1.26 -4.98 135.00 131.11 2ckj s PRO 223 Ca 0.11 0.58 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 2ckj s PRO 223 Cb -0.07 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2ckj s PRO 223 CO 0.05 -0.20 0.79 -0.98 0.04 0.00 0.00 177.00 176.70 2ckj s ARG 224 N -4.26 4.44 0.29 4.56 1.70 -1.26 -5.06 118.95 119.36 2ckj s ARG 224 Ca 0.53 1.07 0.12 0.00 -0.47 0.00 0.00 55.73 56.97 2ckj s ARG 224 Cb -0.10 -3.00 -0.05 0.00 -0.57 0.00 0.00 34.95 31.22 2ckj s ARG 224 CO 0.37 0.43 -0.18 -1.59 -1.08 0.00 0.00 175.30 173.25 2ckj s LYS 225 N -1.70 1.70 0.42 3.89 0.00 -1.26 -5.00 119.74 117.79 2ckj s LYS 225 Ca 0.42 -1.80 -0.25 0.00 0.00 0.00 0.00 55.97 54.34 2ckj s LYS 225 Cb -0.19 -1.75 -0.08 0.00 0.00 0.00 0.00 37.83 35.80 2ckj s LYS 225 CO 0.23 0.30 1.27 1.14 0.00 0.00 0.00 175.35 178.29 2ckj s GLN 226 N -3.53 3.92 -0.04 1.78 -2.07 -1.26 -4.92 119.66 113.54 2ckj s GLN 226 Ca 0.30 2.07 0.03 0.00 -1.82 0.00 0.00 55.36 55.94 2ckj s GLN 226 Cb -0.04 -2.69 -0.03 0.00 -1.09 0.00 0.00 33.01 29.17 2ckj s GLN 226 CO 0.15 -0.50 -0.11 -0.51 -1.32 0.00 0.00 175.29 173.00 2ckj s LEU 227 N -2.55 2.92 -0.09 2.60 1.43 -1.03 -4.78 118.68 117.18 2ckj s LEU 227 Ca 0.58 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2ckj s LEU 227 Cb -0.36 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2ckj s LEU 227 CO 0.46 0.34 -0.19 -0.60 0.23 0.00 0.00 176.35 176.58 2ckj s ARG 228 N -0.90 2.52 0.05 1.70 3.52 -1.12 -0.38 118.95 124.34 2ckj s ARG 228 Ca 0.13 -0.69 0.08 0.00 -0.13 0.00 0.00 55.73 55.11 2ckj s ARG 228 Cb -0.11 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2ckj s ARG 228 CO 0.02 0.11 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.35 2ckj s PHE 229 N 0.50 2.48 -0.10 5.12 2.99 0.12 -4.35 117.98 124.75 2ckj s PHE 229 Ca -0.16 -0.31 0.01 0.00 0.00 0.00 0.00 56.93 56.47 2ckj s PHE 229 Cb -0.17 -1.42 0.02 0.00 0.00 0.00 0.00 43.02 41.45 2ckj s PHE 229 CO 0.06 0.23 -0.11 -1.21 -0.00 0.00 0.00 175.22 174.19 2ckj s GLU 230 N -1.47 1.78 0.00 0.44 2.02 -1.26 -1.48 118.70 118.73 2ckj s GLU 230 Ca 0.14 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2ckj s GLU 230 Cb -0.10 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.51 2ckj s GLU 230 CO 0.05 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.62 2ckj n GLY 231 N 4.38 2.48 0.07 -1.39 0.00 -0.77 -4.73 105.19 105.23 2ckj n GLY 231 Ca -0.18 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 2ckj n GLY 231 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 232 N 0.00 1.52 0.00 1.61 2.13 -1.26 -4.78 120.64 119.86 2ckj n GLU 232 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2ckj n GLU 232 Cb 0.00 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.37 2ckj n GLU 232 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ckj n ARG 233 N -2.60 0.13 -4.10 5.31 1.74 -1.26 -5.12 116.66 110.76 2ckj n ARG 233 Ca -0.23 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.53 2ckj n ARG 233 Cb 0.91 -0.53 -0.07 0.00 -1.02 0.00 0.00 32.46 31.74 2ckj n ARG 233 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ckj s VAL 234 N -1.07 4.61 -0.09 1.55 1.01 -1.26 -4.78 120.40 120.38 2ckj s VAL 234 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2ckj s VAL 234 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2ckj s VAL 234 CO 0.00 0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 174.32 2ckj s THR 235 N -1.26 1.43 -0.11 3.92 2.01 -0.82 -1.84 115.64 118.96 2ckj s THR 235 Ca 0.25 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2ckj s THR 235 Cb -0.12 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.11 2ckj s THR 235 CO 0.17 0.42 -0.20 0.86 -0.69 0.00 0.00 174.62 175.18 2ckj s TRP 236 N 0.75 2.32 -0.25 4.92 -0.11 -0.55 -1.82 118.94 124.21 2ckj s TRP 236 Ca -0.12 -1.02 -0.04 0.00 1.22 0.00 0.00 56.10 56.15 2ckj s TRP 236 Cb -0.16 -1.59 0.01 0.00 -1.50 0.00 0.00 33.47 30.24 2ckj s TRP 236 CO 0.02 -0.45 -0.02 0.42 -4.62 0.00 0.00 176.95 172.30 2ckj s ILE 237 N 0.61 3.28 -0.51 5.86 1.01 0.50 0.15 121.20 132.11 2ckj s ILE 237 Ca -0.13 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 2ckj s ILE 237 Cb -0.17 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.74 2ckj s ILE 237 CO 0.04 0.23 0.60 -1.58 0.00 0.00 0.00 174.94 174.23 2ckj s GLN 238 N 1.41 3.10 0.32 2.79 2.00 0.49 -1.12 119.66 128.65 2ckj s GLN 238 Ca 0.02 -0.96 -0.12 0.00 -2.00 0.00 0.00 55.36 52.30 2ckj s GLN 238 Cb -0.16 -4.11 -0.08 0.00 0.80 0.00 0.00 33.01 29.46 2ckj s GLN 238 CO -0.02 -1.21 0.70 0.00 -0.50 0.00 0.00 175.29 174.25 2ckj s ALA 239 N 2.52 3.39 -0.01 1.58 0.00 -0.98 -2.47 121.76 125.78 2ckj s ALA 239 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2ckj s ALA 239 Cb -0.20 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2ckj s ALA 239 CO 0.11 0.29 -0.01 -1.13 0.00 0.00 0.00 175.76 175.02 2ckj n SER 240 N -0.55 2.74 -4.99 0.00 3.41 -1.26 -4.54 113.62 108.43 2ckj n SER 240 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.44 2ckj n SER 240 Cb 0.53 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2ckj n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ckj s THR 241 N -2.02 3.37 0.10 6.66 -1.32 -1.26 -4.35 115.64 116.81 2ckj s THR 241 Ca -0.01 -0.86 -0.07 0.00 -1.21 0.00 0.00 61.69 59.53 2ckj s THR 241 Cb 0.00 -3.18 -0.23 0.00 -1.51 0.00 0.00 72.50 67.58 2ckj s THR 241 CO 0.02 -0.09 1.21 0.25 -2.21 0.00 0.00 174.62 173.80 2ckj h LEU 242 N 0.56 0.61 -0.48 9.08 5.85 -1.96 -3.11 115.31 125.87 2ckj h LEU 242 Ca -0.43 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 57.80 2ckj h LEU 242 Cb 1.27 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 2ckj h LEU 242 CO 0.50 1.36 -0.56 0.50 -0.34 0.00 0.00 178.44 179.90 2ckj h LYS 243 N 0.21 -0.34 0.00 1.25 3.64 -2.01 -2.60 116.57 116.72 2ckj h LYS 243 Ca -0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ckj h LYS 243 Cb 1.76 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2ckj h LYS 243 CO 0.19 -0.23 0.00 1.05 -2.27 0.00 0.00 179.45 178.20 2ckj h GLU 244 N -0.35 0.00 0.00 1.90 4.11 -1.94 -0.26 114.58 118.03 2ckj h GLU 244 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 2ckj h GLU 244 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2ckj h GLU 244 CO -0.64 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 179.67 2ckj h LEU 245 N 0.00 0.01 -1.63 3.06 5.85 -1.50 -2.90 115.31 118.19 2ckj h LEU 245 Ca 0.00 -0.99 -0.04 0.00 0.84 0.00 0.00 57.88 57.69 2ckj h LEU 245 Cb 0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ckj h LEU 245 CO 0.00 1.01 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.85 2ckj h LEU 246 N -0.99 0.00 -0.03 2.25 3.38 -0.68 -1.11 115.31 118.13 2ckj h LEU 246 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2ckj h LEU 246 Cb 1.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.78 2ckj h LEU 246 CO -0.00 0.19 -0.77 0.44 0.09 0.00 0.00 178.44 178.39 2ckj h ASP 247 N 0.00 0.73 0.33 -0.43 3.32 -1.60 -2.42 116.42 116.34 2ckj h ASP 247 Ca -0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 57.03 56.31 2ckj h ASP 247 Cb 0.34 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2ckj h ASP 247 CO 0.02 1.35 -0.16 0.25 -1.72 0.00 0.00 179.24 178.99 2ckj h LEU 248 N 0.17 -0.37 -1.77 1.55 5.85 -1.17 -2.32 115.31 117.24 2ckj h LEU 248 Ca -0.09 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2ckj h LEU 248 Cb 1.45 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2ckj h LEU 248 CO 0.15 -0.18 0.00 0.11 -0.34 0.00 0.00 178.44 178.18 2ckj h LYS 249 N -0.54 0.00 0.00 1.25 1.79 -1.31 -2.10 116.57 115.66 2ckj h LYS 249 Ca -0.04 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.21 2ckj h LYS 249 Cb 0.40 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2ckj h LYS 249 CO 0.07 0.00 -1.09 0.00 -1.08 0.00 0.00 179.45 177.36 2ckj h ALA 250 N 2.03 0.45 -0.15 3.86 0.00 -0.90 -3.28 119.26 121.26 2ckj h ALA 250 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2ckj h ALA 250 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ckj h ALA 250 CO 0.00 1.26 0.00 0.00 0.00 0.00 0.00 179.25 180.51 2ckj n GLN 251 N -3.29 2.08 -2.89 0.00 10.64 -0.81 -4.62 117.38 118.49 2ckj n GLN 251 Ca -0.03 -1.60 -0.09 0.00 -1.83 0.00 0.00 57.00 53.45 2ckj n GLN 251 Cb 0.94 -1.46 -0.01 0.00 -0.86 0.00 0.00 30.24 28.85 2ckj n GLN 251 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2ckj n HIS 252 N 0.87 -3.13 0.34 2.61 8.25 -1.07 -5.05 115.22 118.04 2ckj n HIS 252 Ca 0.17 -1.84 0.14 0.00 -0.26 0.00 0.00 57.72 55.93 2ckj n HIS 252 Cb 0.48 1.21 0.49 0.00 1.12 0.00 0.00 29.99 33.30 2ckj n HIS 252 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2ckj h PRO 253 N 4.95 0.00 -0.43 -0.41 0.11 -1.82 -3.15 132.00 131.25 2ckj h PRO 253 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2ckj h PRO 253 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ckj h PRO 253 CO 0.13 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.52 2ckj n ASP 254 N -2.78 2.74 -4.75 -2.05 5.75 -1.26 -4.73 116.55 109.47 2ckj n ASP 254 Ca 0.02 -1.94 -0.40 0.00 -0.01 0.00 0.00 54.79 52.46 2ckj n ASP 254 Cb 0.35 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 2ckj n ASP 254 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj s ALA 255 N -1.43 3.32 -0.10 2.12 0.00 -1.19 -4.84 121.76 119.64 2ckj s ALA 255 Ca 0.36 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2ckj s ALA 255 Cb 0.19 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 2ckj s ALA 255 CO 0.26 0.12 -0.14 0.21 0.00 0.00 0.00 175.76 176.21 2ckj s LYS 256 N -0.65 3.09 -0.33 0.00 2.47 -0.85 -4.85 119.74 118.62 2ckj s LYS 256 Ca 0.42 -0.70 -0.24 0.00 -1.56 0.00 0.00 55.97 53.90 2ckj s LYS 256 Cb -0.24 -2.53 0.00 0.00 -1.46 0.00 0.00 37.83 33.60 2ckj s LYS 256 CO 0.30 0.34 0.80 -0.51 0.16 0.00 0.00 175.35 176.44 2ckj s LEU 257 N 0.01 4.09 -0.18 5.43 1.43 -1.26 -0.41 118.68 127.78 2ckj s LEU 257 Ca -0.04 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2ckj s LEU 257 Cb -0.14 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 43.00 2ckj s LEU 257 CO 0.04 -0.67 -0.14 -0.69 0.23 0.00 0.00 176.35 175.12 2ckj s VAL 258 N 3.05 2.62 0.00 -1.59 1.01 -1.06 -4.98 120.40 119.45 2ckj s VAL 258 Ca 0.33 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2ckj s VAL 258 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2ckj s VAL 258 CO 0.14 0.50 0.00 0.52 0.00 0.00 0.00 175.10 176.26 2ckj n VAL 259 N 4.50 0.00 0.39 2.92 0.31 -1.26 -3.79 118.33 121.40 2ckj n VAL 259 Ca -0.20 0.27 0.08 0.00 -0.01 0.00 0.00 64.34 64.49 2ckj n VAL 259 Cb 0.51 -1.25 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 2ckj n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 260 N 2.10 -0.69 2.69 2.92 0.00 -1.26 -4.98 105.19 105.96 2ckj n GLY 260 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2ckj n GLY 260 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ckj n ASN 261 N -1.76 -5.32 0.00 1.61 5.15 -1.26 -4.82 115.26 108.86 2ckj n ASN 261 Ca -0.00 0.19 0.12 0.00 -0.60 0.00 0.00 54.58 54.29 2ckj n ASN 261 Cb 0.36 -3.50 0.63 0.00 -0.53 0.00 0.00 39.78 36.74 2ckj n ASN 261 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2ckj n THR 262 N -2.31 0.19 0.00 -0.44 -2.24 -1.26 -1.71 114.28 106.51 2ckj n THR 262 Ca -0.08 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2ckj n THR 262 Cb 0.49 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2ckj n THR 262 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ckj n GLU 263 N -1.30 0.00 -0.31 -0.78 4.07 -1.26 -4.55 120.64 116.52 2ckj n GLU 263 Ca 0.12 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 2ckj n GLU 263 Cb 0.21 -0.13 -0.05 0.00 -0.06 0.00 0.00 31.44 31.40 2ckj n GLU 263 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2ckj n ILE 264 N -2.02 -0.49 -0.24 6.31 2.08 -1.26 -0.01 119.36 123.73 2ckj n ILE 264 Ca 0.00 1.82 0.06 0.00 0.56 0.00 0.00 62.75 65.19 2ckj n ILE 264 Cb 0.00 -2.28 0.13 0.00 -0.75 0.00 0.00 39.64 36.74 2ckj n ILE 264 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ckj n GLY 265 N -1.23 -1.06 0.05 7.39 0.00 -0.70 -0.47 105.19 109.18 2ckj n GLY 265 Ca 0.03 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 2ckj n GLY 265 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ckj h ILE 266 N 0.00 1.34 -0.83 -0.61 1.08 -0.64 -2.50 117.51 115.35 2ckj h ILE 266 Ca 0.36 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2ckj h ILE 266 Cb 0.62 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.34 2ckj h ILE 266 CO -0.68 0.26 0.45 -0.33 -0.69 0.00 0.00 178.15 177.16 2ckj h GLU 267 N -0.42 1.16 -0.25 2.37 5.08 0.07 -1.98 114.58 120.59 2ckj h GLU 267 Ca -0.00 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 2ckj h GLU 267 Cb 0.42 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ckj h GLU 267 CO 0.00 0.85 -0.51 0.52 -1.00 0.00 0.00 179.01 178.87 2ckj h MET 268 N 1.15 0.79 -0.00 2.33 2.86 -1.10 -1.97 114.93 118.99 2ckj h MET 268 Ca 0.29 -0.52 -0.16 0.00 -2.06 0.00 0.00 59.70 57.26 2ckj h MET 268 Cb 0.04 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2ckj h MET 268 CO -0.05 1.14 -0.73 -0.22 1.06 0.00 0.00 176.91 178.12 2ckj h LYS 269 N 0.55 0.04 0.00 1.72 3.64 -0.90 -3.37 116.57 118.24 2ckj h LYS 269 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2ckj h LYS 269 Cb 1.12 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2ckj h LYS 269 CO 0.11 0.75 -0.91 1.19 -2.27 0.00 0.00 179.45 178.32 2ckj n PHE 270 N -3.69 0.00 -2.38 1.91 3.01 -0.86 -4.64 117.46 110.80 2ckj n PHE 270 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 2ckj n PHE 270 Cb 0.71 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.18 2ckj n PHE 270 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ckj n LYS 271 N -1.66 3.31 0.00 -1.08 5.02 -0.74 -4.97 118.16 118.04 2ckj n LYS 271 Ca 0.00 -4.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.00 2ckj n LYS 271 Cb 0.27 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 2ckj n LYS 271 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ckj n ASN 272 N -0.46 0.00 -4.80 4.39 3.02 -1.26 -4.88 115.26 111.27 2ckj n ASN 272 Ca 0.42 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.65 2ckj n ASN 272 Cb 0.51 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 2ckj n ASN 272 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ckj s MET 273 N 0.00 3.24 -0.22 3.52 -1.94 -1.24 -5.03 119.30 117.63 2ckj s MET 273 Ca 0.00 1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 55.16 2ckj s MET 273 Cb 0.00 -2.02 0.10 0.00 2.01 0.00 0.00 34.83 34.92 2ckj s MET 273 CO 0.00 -0.87 0.24 -1.17 -0.01 0.00 0.00 175.02 173.20 2ckj s LEU 274 N -4.59 -0.14 -0.22 -0.03 2.96 -1.26 -4.41 118.68 111.00 2ckj s LEU 274 Ca 0.64 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 54.13 2ckj s LEU 274 Cb -0.16 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.90 2ckj s LEU 274 CO 0.38 -0.34 0.18 -0.36 -1.32 0.00 0.00 176.35 174.89 2ckj s PHE 275 N 2.34 3.35 -1.10 5.38 0.40 -1.26 -4.94 117.98 122.14 2ckj s PHE 275 Ca 0.08 0.30 0.20 0.00 -0.60 0.00 0.00 56.93 56.91 2ckj s PHE 275 Cb -0.15 -2.26 -0.18 0.00 0.51 0.00 0.00 43.02 40.93 2ckj s PHE 275 CO -0.16 0.13 0.88 -0.35 0.70 0.00 0.00 175.22 176.42 2ckj n PRO 276 N 4.04 0.56 -3.93 0.24 -0.05 -1.26 -4.70 135.00 129.91 2ckj n PRO 276 Ca -0.15 -0.16 -0.28 0.00 -0.05 0.00 0.00 63.50 62.86 2ckj n PRO 276 Cb 0.52 -1.44 -0.17 0.00 -0.05 0.00 0.00 33.50 32.36 2ckj n PRO 276 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 2ckj s MET 277 N -2.80 1.67 0.01 0.54 1.75 -1.26 -1.95 119.30 117.26 2ckj s MET 277 Ca 0.09 -0.40 0.07 0.00 -1.25 0.00 0.00 55.69 54.20 2ckj s MET 277 Cb 0.15 -1.82 -0.02 0.00 2.84 0.00 0.00 34.83 35.98 2ckj s MET 277 CO 0.77 -0.31 -0.21 0.42 -0.65 0.00 0.00 175.02 175.04 2ckj s ILE 278 N 1.64 1.69 -0.12 10.11 1.01 -0.75 -2.01 121.20 132.75 2ckj s ILE 278 Ca 0.04 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2ckj s ILE 278 Cb -0.13 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2ckj s ILE 278 CO -0.09 0.36 -0.22 0.54 0.00 0.00 0.00 174.94 175.53 2ckj s VAL 279 N -0.63 2.03 -0.19 2.92 0.11 0.45 -0.37 120.40 124.73 2ckj s VAL 279 Ca 0.08 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.10 2ckj s VAL 279 Cb -0.08 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 2ckj s VAL 279 CO 0.00 0.55 -0.01 0.00 -3.33 0.00 0.00 175.10 172.31 2ckj n PRO 281 N 4.00 0.00 0.00 0.00 -0.02 -1.25 -2.32 135.00 135.41 2ckj n PRO 281 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2ckj n PRO 281 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2ckj n PRO 281 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 282 N -3.00 0.00 -0.06 3.55 0.00 -1.26 -4.04 120.51 115.70 2ckj n ALA 282 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2ckj n ALA 282 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2ckj n ALA 282 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2ckj n TRP 283 N -1.65 0.00 -1.94 0.00 7.02 -1.26 -4.96 117.44 114.64 2ckj n TRP 283 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 2ckj n TRP 283 Cb 0.00 -0.73 -0.03 0.00 -2.42 0.00 0.00 31.31 28.13 2ckj n TRP 283 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2ckj s ILE 284 N -2.75 3.47 0.31 -0.99 -1.09 -1.26 -4.85 121.20 114.04 2ckj s ILE 284 Ca -0.08 0.54 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 2ckj s ILE 284 Cb 0.08 -3.42 0.31 0.00 -1.58 0.00 0.00 42.46 37.84 2ckj s ILE 284 CO 0.76 -0.13 1.68 -0.65 -1.23 0.00 0.00 174.94 175.36 2ckj h PRO 285 N 10.76 0.33 0.00 2.79 0.11 -1.93 0.98 132.00 145.04 2ckj h PRO 285 Ca -0.39 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 2ckj h PRO 285 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2ckj h PRO 285 CO 0.97 0.22 -0.26 0.93 -0.21 0.00 0.00 178.00 179.65 2ckj h GLU 286 N 0.34 0.00 0.00 1.05 3.07 -1.98 0.34 114.58 117.40 2ckj h GLU 286 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 2ckj h GLU 286 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2ckj h GLU 286 CO -0.58 0.26 0.00 1.28 -1.40 0.00 0.00 179.01 178.57 2ckj n LEU 287 N -3.93 0.00 0.00 1.33 4.77 0.34 -3.75 117.00 115.75 2ckj n LEU 287 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ckj n LEU 287 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2ckj n LEU 287 CO 0.35 -0.00 0.36 0.59 -1.33 0.00 0.00 177.39 177.37 2ckj n ASN 288 N -1.07 1.20 -4.82 -1.43 3.02 0.09 -0.49 115.26 111.76 2ckj n ASN 288 Ca 0.21 -1.52 -0.34 0.00 -0.03 0.00 0.00 54.58 52.90 2ckj n ASN 288 Cb 0.14 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2ckj n ASN 288 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ckj s SER 289 N -0.52 7.01 0.04 6.41 1.04 -1.10 -4.74 113.70 121.85 2ckj s SER 289 Ca 0.00 1.64 0.06 0.00 0.48 0.00 0.00 55.95 58.13 2ckj s SER 289 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2ckj s SER 289 CO 0.00 -0.25 -0.11 0.68 0.98 0.00 0.00 173.24 174.54 2ckj s VAL 290 N -1.98 3.30 -0.09 5.02 -7.23 -1.26 0.17 120.40 118.34 2ckj s VAL 290 Ca 0.57 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2ckj s VAL 290 Cb -0.12 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.41 2ckj s VAL 290 CO 0.17 0.30 0.18 -1.61 -0.31 0.00 0.00 175.10 173.82 2ckj s GLU 291 N -1.65 0.07 -0.87 4.82 2.02 -0.63 -5.02 118.70 117.44 2ckj s GLU 291 Ca 0.18 0.55 -0.18 0.00 0.02 0.00 0.00 54.97 55.54 2ckj s GLU 291 Cb -0.11 -0.21 0.15 0.00 0.10 0.00 0.00 34.13 34.06 2ckj s GLU 291 CO 0.09 -0.26 1.01 -1.01 0.02 0.00 0.00 175.26 175.10 2ckj s HIS 292 N 2.00 3.24 0.81 1.61 3.76 -1.26 -1.71 115.29 123.74 2ckj s HIS 292 Ca -0.01 -1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 53.34 2ckj s HIS 292 Cb -0.12 -4.16 0.12 0.00 1.11 0.00 0.00 32.58 29.53 2ckj s HIS 292 CO -0.06 -1.37 1.14 0.20 -0.85 0.00 0.00 174.74 173.80 2ckj s GLY 293 N 3.31 1.72 0.00 -2.22 0.00 -0.93 -4.96 107.32 104.23 2ckj s GLY 293 Ca 0.28 -1.12 0.12 0.00 0.00 0.00 0.00 44.72 44.00 2ckj s GLY 293 CO -0.08 -0.54 1.42 -1.05 0.00 0.00 0.00 173.10 172.85 2ckj n PRO 294 N -3.26 0.94 0.00 2.90 -0.02 -1.26 -3.71 135.00 130.58 2ckj n PRO 294 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2ckj n PRO 294 Cb 0.60 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2ckj n PRO 294 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ckj n ASP 295 N -0.70 0.00 0.00 2.55 9.92 -1.26 -5.06 116.55 121.99 2ckj n ASP 295 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2ckj n ASP 295 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2ckj n ASP 295 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ckj n GLY 296 N -0.03 0.52 3.86 0.44 0.00 -1.24 -2.42 105.19 106.31 2ckj n GLY 296 Ca 0.00 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 2ckj n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ckj s ILE 297 N -2.00 5.37 -0.18 -0.61 1.01 -0.78 -2.18 121.20 121.83 2ckj s ILE 297 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2ckj s ILE 297 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2ckj s ILE 297 CO 0.00 0.59 -0.19 -0.55 0.00 0.00 0.00 174.94 174.79 2ckj s SER 298 N -0.92 3.25 -0.17 3.58 0.15 -0.69 -0.61 113.70 118.29 2ckj s SER 298 Ca 0.17 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2ckj s SER 298 Cb -0.13 -1.50 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 2ckj s SER 298 CO 0.06 0.01 -0.16 -0.36 1.20 0.00 0.00 173.24 173.99 2ckj s PHE 299 N 1.23 2.79 0.33 3.44 0.40 -0.04 -1.60 117.98 124.53 2ckj s PHE 299 Ca 0.03 -1.25 -0.26 0.00 -0.60 0.00 0.00 56.93 54.86 2ckj s PHE 299 Cb -0.13 -1.92 -0.14 0.00 0.51 0.00 0.00 43.02 41.33 2ckj s PHE 299 CO -0.10 -0.61 0.72 0.41 0.70 0.00 0.00 175.22 176.34 2ckj n GLY 300 N 4.34 -1.08 0.29 4.36 0.00 0.46 -2.65 105.19 110.91 2ckj n GLY 300 Ca -0.20 0.21 0.17 0.00 0.00 0.00 0.00 46.02 46.20 2ckj n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj h ALA 301 N 1.28 1.08 0.00 4.61 0.00 -0.50 -2.86 119.26 122.87 2ckj h ALA 301 Ca -0.38 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2ckj h ALA 301 Cb 1.38 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2ckj h ALA 301 CO 0.56 0.06 -0.57 0.00 0.00 0.00 0.00 179.25 179.30 2ckj h ALA 302 N 1.95 1.01 -2.28 0.00 0.00 -1.07 -1.66 119.26 117.22 2ckj h ALA 302 Ca -0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 2ckj h ALA 302 Cb 0.33 -0.09 0.10 0.00 0.00 0.00 0.00 17.79 18.13 2ckj h ALA 302 CO 0.01 0.72 0.40 0.00 0.00 0.00 0.00 179.25 180.38 2ckj s PRO 304 N -1.38 4.25 0.12 0.00 0.02 -1.26 -1.90 135.00 134.85 2ckj s PRO 304 Ca 0.60 1.47 -0.13 0.00 0.02 0.00 0.00 61.00 62.96 2ckj s PRO 304 Cb -0.64 -2.59 0.08 0.00 0.02 0.00 0.00 34.50 31.38 2ckj s PRO 304 CO 0.58 -0.06 0.92 1.28 -0.33 0.00 0.00 177.00 179.40 2ckj n LEU 305 N 0.04 -0.47 -0.55 -5.54 4.77 0.12 0.36 117.00 115.74 2ckj n LEU 305 Ca 0.04 1.05 0.45 0.00 -0.03 0.00 0.00 56.01 57.52 2ckj n LEU 305 Cb 0.50 -0.21 0.77 0.00 -2.33 0.00 0.00 43.42 42.15 2ckj n LEU 305 CO 0.45 -0.91 1.39 0.77 -1.33 0.00 0.00 177.39 177.76 2ckj h SER 306 N 0.00 0.06 0.00 -1.43 4.64 -0.20 0.74 113.55 117.36 2ckj h SER 306 Ca 0.17 0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 61.16 2ckj h SER 306 Cb 0.32 0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 2ckj h SER 306 CO -0.58 -0.04 -2.34 2.30 -0.87 0.00 0.00 176.83 175.30 2ckj n ILE 307 N -4.17 1.34 -0.25 0.95 -5.35 0.16 -3.16 119.36 108.88 2ckj n ILE 307 Ca 0.38 -0.80 0.03 0.00 -0.27 0.00 0.00 62.75 62.09 2ckj n ILE 307 Cb 1.69 -0.57 0.12 0.00 -1.74 0.00 0.00 39.64 39.14 2ckj n ILE 307 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2ckj h VAL 308 N 0.00 0.33 0.15 7.28 2.07 -0.77 -1.75 116.25 123.56 2ckj h VAL 308 Ca -0.53 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2ckj h VAL 308 Cb 2.17 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2ckj h VAL 308 CO 0.02 0.01 -0.10 -0.08 0.02 0.00 0.00 177.57 177.43 2ckj h GLU 309 N 0.05 -0.24 -1.35 1.57 4.81 -1.00 -2.51 114.58 115.91 2ckj h GLU 309 Ca 0.37 0.02 0.45 0.00 -0.13 0.00 0.00 59.36 60.07 2ckj h GLU 309 Cb 0.62 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 2ckj h GLU 309 CO -0.68 -0.16 0.89 1.17 -0.73 0.00 0.00 179.01 179.49 2ckj n LYS 310 N -2.86 -0.03 0.00 1.92 4.81 -1.19 -0.94 118.16 119.88 2ckj n LYS 310 Ca -0.03 1.12 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 2ckj n LYS 310 Cb 0.10 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2ckj n LYS 310 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2ckj n THR 311 N -4.42 0.00 -0.14 3.15 -1.04 -0.66 -3.66 114.28 107.52 2ckj n THR 311 Ca 0.38 0.62 -0.02 0.00 -2.04 0.00 0.00 64.05 62.99 2ckj n THR 311 Cb 1.50 -1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 68.75 2ckj n THR 311 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ckj n LEU 312 N -0.99 -0.28 -0.34 -4.42 4.32 -1.08 -1.09 117.00 113.12 2ckj n LEU 312 Ca 0.00 0.59 0.26 0.00 -0.02 0.00 0.00 56.01 56.84 2ckj n LEU 312 Cb 0.00 -0.11 0.55 0.00 -1.62 0.00 0.00 43.42 42.24 2ckj n LEU 312 CO 0.00 -0.51 1.23 0.58 -1.22 0.00 0.00 177.39 177.47 2ckj h VAL 313 N 0.00 0.46 0.00 4.08 2.07 -1.15 1.34 116.25 123.04 2ckj h VAL 313 Ca 0.09 -0.11 -0.38 0.00 0.82 0.00 0.00 66.70 67.12 2ckj h VAL 313 Cb 0.17 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.99 2ckj h VAL 313 CO -0.33 0.06 -2.41 -0.90 0.02 0.00 0.00 177.57 174.01 2ckj n ASP 314 N -4.61 2.06 0.23 0.57 3.85 -0.34 -3.93 116.55 114.39 2ckj n ASP 314 Ca 0.27 -0.08 0.17 0.00 -0.71 0.00 0.00 54.79 54.45 2ckj n ASP 314 Cb 0.98 -0.43 0.87 0.00 -1.35 0.00 0.00 41.12 41.19 2ckj n ASP 314 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ckj h ALA 315 N -0.11 1.69 -0.30 2.12 0.00 -0.45 0.31 119.26 122.51 2ckj h ALA 315 Ca -0.56 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2ckj h ALA 315 Cb 1.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2ckj h ALA 315 CO -0.12 -0.26 -0.24 -0.24 0.00 0.00 0.00 179.25 178.39 2ckj h VAL 316 N 0.00 1.27 -0.00 0.00 3.04 0.16 -3.33 116.25 117.39 2ckj h VAL 316 Ca 0.07 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 2ckj h VAL 316 Cb 0.44 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2ckj h VAL 316 CO -0.00 0.42 -0.67 0.00 -1.01 0.00 0.00 177.57 176.31 2ckj n ALA 317 N -2.49 3.96 -1.27 3.17 0.00 0.93 -4.01 120.51 120.79 2ckj n ALA 317 Ca -0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2ckj n ALA 317 Cb 0.41 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.00 2ckj n ALA 317 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ckj n LYS 318 N -1.50 2.44 -3.61 0.00 4.76 -0.14 -5.01 118.16 115.09 2ckj n LYS 318 Ca 0.05 -3.13 -0.03 0.00 -2.87 0.00 0.00 58.31 52.33 2ckj n LYS 318 Cb 0.33 -2.23 -0.05 0.00 -1.84 0.00 0.00 35.03 31.24 2ckj n LYS 318 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ckj s LEU 319 N -3.53 -0.93 -0.40 -0.35 1.43 -1.26 -5.02 118.68 108.62 2ckj s LEU 319 Ca 0.60 1.37 -0.26 0.00 -1.03 0.00 0.00 54.13 54.82 2ckj s LEU 319 Cb 0.49 2.19 -0.13 0.00 0.03 0.00 0.00 46.19 48.78 2ckj s LEU 319 CO 0.06 -0.20 1.45 -2.65 0.23 0.00 0.00 176.35 175.24 2ckj n PRO 320 N 4.80 0.00 0.00 1.29 -0.02 -1.26 -4.69 135.00 135.12 2ckj n PRO 320 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ckj n PRO 320 Cb 0.54 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 2ckj n PRO 320 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 321 N 5.26 0.95 -0.02 3.55 0.00 -1.26 -2.25 120.51 126.74 2ckj n ALA 321 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.80 2ckj n ALA 321 Cb -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 2ckj n ALA 321 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 322 N 0.35 1.66 0.20 0.00 -0.06 -1.26 -4.49 117.38 113.77 2ckj n GLN 322 Ca 0.00 -0.04 0.07 0.00 -2.00 0.00 0.00 57.00 55.03 2ckj n GLN 322 Cb 0.00 -1.20 0.36 0.00 -4.06 0.00 0.00 30.24 25.34 2ckj n GLN 322 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2ckj h LYS 323 N 0.00 0.00 -0.96 3.69 1.57 -1.52 -3.27 116.57 116.07 2ckj h LYS 323 Ca -0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2ckj h LYS 323 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2ckj h LYS 323 CO 0.01 0.33 0.04 0.25 -0.57 0.00 0.00 179.45 179.51 2ckj n THR 324 N -3.48 0.81 0.08 -0.16 -2.24 -1.25 0.11 114.28 108.15 2ckj n THR 324 Ca -0.00 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 2ckj n THR 324 Cb 0.49 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 2ckj n THR 324 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ckj h GLU 325 N 0.47 0.00 0.12 -0.78 4.39 -1.85 -2.98 114.58 113.95 2ckj h GLU 325 Ca 0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 2ckj h GLU 325 Cb 0.97 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2ckj h GLU 325 CO 0.12 0.87 -1.43 0.28 -1.16 0.00 0.00 179.01 177.69 2ckj h VAL 326 N 0.00 1.27 -0.49 3.13 2.07 -1.83 -3.29 116.25 117.11 2ckj h VAL 326 Ca -0.01 -2.89 -0.08 0.00 0.82 0.00 0.00 66.70 64.54 2ckj h VAL 326 Cb 1.59 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 2ckj h VAL 326 CO 0.11 0.84 -0.00 -0.26 0.02 0.00 0.00 177.57 178.28 2ckj h PHE 327 N 0.07 0.95 0.00 1.57 -1.00 -1.85 0.82 116.94 117.50 2ckj h PHE 327 Ca -0.20 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2ckj h PHE 327 Cb 2.00 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 41.31 2ckj h PHE 327 CO 0.06 0.89 0.19 0.00 -1.61 0.00 0.00 178.31 177.84 2ckj h ARG 328 N 0.73 0.00 0.00 1.51 -0.00 -1.59 -2.34 114.38 112.69 2ckj h ARG 328 Ca 0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.57 2ckj h ARG 328 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 2ckj h ARG 328 CO 0.03 0.00 -0.30 0.78 0.00 0.00 0.00 179.97 180.48 2ckj h GLY 329 N 0.00 0.00 -0.67 0.04 0.00 -0.91 -3.18 103.07 98.36 2ckj h GLY 329 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2ckj h GLY 329 CO 0.00 0.00 -0.51 -2.08 0.00 0.00 0.00 176.54 173.95 2ckj h VAL 330 N -1.00 0.03 -0.28 4.60 2.07 -1.18 -2.20 116.25 118.29 2ckj h VAL 330 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2ckj h VAL 330 Cb 0.85 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ckj h VAL 330 CO -0.04 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.58 2ckj h LEU 331 N -0.19 0.35 -1.93 2.57 4.07 -1.58 0.46 115.31 119.05 2ckj h LEU 331 Ca 0.16 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.10 2ckj h LEU 331 Cb 0.53 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2ckj h LEU 331 CO -0.76 0.33 0.08 -0.33 -1.08 0.00 0.00 178.44 176.67 2ckj h GLU 332 N 0.39 0.09 0.14 1.13 4.39 -1.38 -1.08 114.58 118.26 2ckj h GLU 332 Ca 0.10 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 2ckj h GLU 332 Cb 0.09 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2ckj h GLU 332 CO -0.01 0.06 -0.83 1.96 -1.16 0.00 0.00 179.01 179.03 2ckj h GLN 333 N 0.09 0.32 0.00 2.33 1.08 -0.62 -3.36 115.11 114.95 2ckj h GLN 333 Ca 0.05 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2ckj h GLN 333 Cb 0.09 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2ckj h GLN 333 CO -0.01 1.24 0.00 1.28 -0.95 0.00 0.00 178.83 180.40 2ckj n LEU 334 N -4.11 0.00 0.08 1.46 4.77 -0.36 -0.81 117.00 118.03 2ckj n LEU 334 Ca -0.14 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2ckj n LEU 334 Cb 0.83 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 2ckj n LEU 334 CO 0.49 -0.06 0.05 0.08 -1.33 0.00 0.00 177.39 176.63 2ckj h ARG 335 N 0.00 0.16 -0.02 3.23 0.11 -1.61 -3.35 114.38 112.89 2ckj h ARG 335 Ca 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2ckj h ARG 335 Cb 0.05 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2ckj h ARG 335 CO 0.00 1.11 -0.39 0.91 0.10 0.00 0.00 179.97 181.70 2ckj n TRP 336 N -3.47 0.00 -1.97 4.08 7.02 -0.17 -4.50 117.44 118.43 2ckj n TRP 336 Ca -0.05 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.18 2ckj n TRP 336 Cb 0.97 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.81 2ckj n TRP 336 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 2ckj s PHE 337 N -2.39 1.68 0.00 -5.99 2.19 0.01 -4.06 117.98 109.42 2ckj s PHE 337 Ca 0.20 0.86 0.00 0.00 0.33 0.00 0.00 56.93 58.33 2ckj s PHE 337 Cb 0.18 -3.95 0.00 0.00 -1.31 0.00 0.00 43.02 37.95 2ckj s PHE 337 CO 0.52 -1.77 0.00 0.00 1.83 0.00 0.00 175.22 175.80 2ckj n ALA 338 N 14.63 0.00 0.00 11.12 0.00 -1.26 -4.92 120.51 140.08 2ckj n ALA 338 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2ckj n ALA 338 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2ckj n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 339 N 0.00 -1.13 0.22 0.00 0.00 -1.26 -4.62 105.19 98.41 2ckj n GLY 339 Ca 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.58 2ckj n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj h LYS 340 N 0.00 0.00 0.00 1.61 1.57 -1.85 -2.79 116.57 115.11 2ckj h LYS 340 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ckj h LYS 340 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ckj h LYS 340 CO 0.00 0.24 -0.01 1.96 -0.57 0.00 0.00 179.45 181.08 2ckj h GLN 341 N 0.00 0.00 0.00 3.15 7.50 -1.91 -2.40 115.11 121.45 2ckj h GLN 341 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2ckj h GLN 341 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 2ckj h GLN 341 CO 0.03 0.01 -0.91 0.28 -1.50 0.00 0.00 178.83 176.74 2ckj n VAL 342 N -3.11 0.00 0.20 -0.54 0.31 -1.06 -3.69 118.33 110.43 2ckj n VAL 342 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 2ckj n VAL 342 Cb 0.18 -0.20 0.13 0.00 -0.91 0.00 0.00 33.84 33.04 2ckj n VAL 342 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ckj h LYS 343 N 0.00 0.00 0.00 5.55 1.57 -1.51 -2.51 116.57 119.67 2ckj h LYS 343 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2ckj h LYS 343 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2ckj h LYS 343 CO 0.00 0.01 -0.51 0.77 -0.57 0.00 0.00 179.45 179.14 2ckj h SER 344 N 0.00 0.00 0.00 0.86 0.02 -1.62 0.51 113.55 113.32 2ckj h SER 344 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ckj h SER 344 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2ckj h SER 344 CO 0.00 0.39 -0.97 1.33 -1.14 0.00 0.00 176.83 176.45 2ckj n VAL 345 N -3.15 0.00 -3.75 2.27 0.24 -1.23 -4.84 118.33 107.88 2ckj n VAL 345 Ca 0.01 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.34 61.86 2ckj n VAL 345 Cb 0.70 0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 2ckj n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckj s ALA 346 N -2.75 3.85 -0.01 2.33 0.00 -0.95 -4.17 121.76 120.06 2ckj s ALA 346 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2ckj s ALA 346 Cb 0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2ckj s ALA 346 CO 0.73 0.69 0.01 -1.54 0.00 0.00 0.00 175.76 175.66 2ckj s SER 347 N -2.16 5.22 0.13 0.00 1.04 -1.26 -0.70 113.70 115.97 2ckj s SER 347 Ca 0.35 0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.53 2ckj s SER 347 Cb -0.13 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2ckj s SER 347 CO 0.22 0.28 1.60 -0.37 0.98 0.00 0.00 173.24 175.96 2ckj h VAL 348 N 3.50 0.25 -0.05 5.02 -1.51 -1.51 -1.74 116.25 120.20 2ckj h VAL 348 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2ckj h VAL 348 Cb 1.18 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 2ckj h VAL 348 CO 0.58 0.00 -0.03 0.61 -1.23 0.00 0.00 177.57 177.50 2ckj n GLY 349 N -1.42 -0.68 0.34 5.19 0.00 -0.62 -1.07 105.19 106.94 2ckj n GLY 349 Ca -0.04 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2ckj n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 350 N 0.00 1.22 1.15 -0.02 0.00 -1.51 -2.79 103.07 101.12 2ckj h GLY 350 Ca 0.01 0.17 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 2ckj h GLY 350 CO -0.05 -0.51 -0.79 -0.57 0.00 0.00 0.00 176.54 174.62 2ckj h ASN 351 N 0.01 0.92 -0.11 0.19 -1.24 -1.01 -1.80 115.58 112.53 2ckj h ASN 351 Ca 0.59 -0.65 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 2ckj h ASN 351 Cb 1.21 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2ckj h ASN 351 CO -0.93 1.42 0.06 0.40 -1.29 0.00 0.00 177.43 177.09 2ckj h ILE 352 N 0.49 1.11 0.00 2.57 2.04 -1.19 -3.03 117.51 119.49 2ckj h ILE 352 Ca -0.06 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2ckj h ILE 352 Cb 1.43 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2ckj h ILE 352 CO 0.16 0.09 -0.67 -0.38 0.00 0.00 0.00 178.15 177.36 2ckj n ILE 353 N -4.95 0.04 0.10 -0.67 5.41 -1.11 -4.34 119.36 113.84 2ckj n ILE 353 Ca -0.05 -0.05 0.01 0.00 1.00 0.00 0.00 62.75 63.66 2ckj n ILE 353 Cb 0.08 0.36 0.05 0.00 -0.71 0.00 0.00 39.64 39.42 2ckj n ILE 353 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2ckj n THR 354 N -1.60 0.10 -2.07 1.39 5.66 -0.68 -4.86 114.28 112.24 2ckj n THR 354 Ca 0.05 0.03 -0.35 0.00 -3.05 0.00 0.00 64.05 60.72 2ckj n THR 354 Cb 0.35 -1.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.10 2ckj n THR 354 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ckj s ALA 355 N -2.06 2.06 0.65 1.79 0.00 -1.26 -4.98 121.76 117.97 2ckj s ALA 355 Ca 0.02 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 2ckj s ALA 355 Cb 0.01 -4.38 -0.00 0.00 0.00 0.00 0.00 23.12 18.75 2ckj s ALA 355 CO 0.02 -4.12 1.20 0.45 0.00 0.00 0.00 175.76 173.30 2ckj s SER 356 N 7.88 4.82 0.30 0.00 0.15 -1.26 -4.35 113.70 121.24 2ckj s SER 356 Ca 0.66 2.33 0.05 0.00 0.70 0.00 0.00 55.95 59.69 2ckj s SER 356 Cb -0.11 -2.59 0.70 0.00 -1.71 0.00 0.00 66.02 62.32 2ckj s SER 356 CO 0.14 -1.84 1.79 -0.65 1.20 0.00 0.00 173.24 173.88 2ckj h PRO 357 N 0.36 0.78 -0.84 5.44 0.11 -1.93 -3.15 132.00 132.76 2ckj h PRO 357 Ca -0.49 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.34 2ckj h PRO 357 Cb 1.29 -0.18 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 2ckj h PRO 357 CO 0.53 0.52 0.29 0.44 -0.21 0.00 0.00 178.00 179.57 2ckj n ILE 358 N -4.74 2.56 -2.39 4.15 -6.64 -1.26 -3.25 119.36 107.80 2ckj n ILE 358 Ca 0.23 -1.38 -0.41 0.00 -1.77 0.00 0.00 62.75 59.42 2ckj n ILE 358 Cb 0.53 -0.46 -0.04 0.00 -1.44 0.00 0.00 39.64 38.24 2ckj n ILE 358 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2ckj s SER 359 N -0.77 7.14 0.00 7.28 0.15 -1.19 -4.82 113.70 121.49 2ckj s SER 359 Ca 0.46 2.35 0.23 0.00 0.70 0.00 0.00 55.95 59.68 2ckj s SER 359 Cb 0.37 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.09 2ckj s SER 359 CO 0.11 -0.26 1.10 0.47 1.20 0.00 0.00 173.24 175.85 2ckj n ASP 360 N 1.36 1.23 0.01 5.45 8.00 -1.26 -3.88 116.55 127.46 2ckj n ASP 360 Ca 0.00 -1.03 -0.07 0.00 0.71 0.00 0.00 54.79 54.40 2ckj n ASP 360 Cb 0.44 0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 42.07 2ckj n ASP 360 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ckj h LEU 361 N 0.82 0.00 0.10 0.64 3.38 -1.95 -3.40 115.31 114.89 2ckj h LEU 361 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ckj h LEU 361 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2ckj h LEU 361 CO 0.00 0.96 -0.05 0.78 0.09 0.00 0.00 178.44 180.23 2ckj h ASN 362 N 0.00 -0.11 -0.88 -0.43 2.35 -1.93 0.25 115.58 114.82 2ckj h ASN 362 Ca -0.20 -0.46 0.23 0.00 -0.55 0.00 0.00 56.30 55.31 2ckj h ASN 362 Cb 1.92 0.03 -0.17 0.00 0.05 0.00 0.00 38.32 40.15 2ckj h ASN 362 CO 0.09 0.52 -0.02 -2.65 -1.65 0.00 0.00 177.43 173.72 2ckj n PRO 363 N -4.84 -0.07 0.03 0.81 -0.02 -1.26 -0.97 135.00 128.67 2ckj n PRO 363 Ca -0.08 1.33 -0.19 0.00 -2.02 0.00 0.00 63.50 62.55 2ckj n PRO 363 Cb 0.28 -2.10 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 2ckj n PRO 363 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ckj h VAL 364 N 0.00 1.34 -0.39 -1.45 2.07 -1.65 0.91 116.25 117.08 2ckj h VAL 364 Ca 0.52 -2.20 0.04 0.00 0.82 0.00 0.00 66.70 65.88 2ckj h VAL 364 Cb 1.02 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 2ckj h VAL 364 CO -0.85 0.66 0.18 -0.26 0.02 0.00 0.00 177.57 177.32 2ckj h PHE 365 N 0.19 0.32 0.67 1.57 0.05 0.45 -1.07 116.94 119.12 2ckj h PHE 365 Ca -0.11 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.66 2ckj h PHE 365 Cb 1.56 -0.09 0.01 0.00 2.00 0.00 0.00 35.95 39.43 2ckj h PHE 365 CO 0.12 0.16 -0.32 1.98 -0.18 0.00 0.00 178.31 180.07 2ckj h MET 366 N 0.36 -0.87 -0.89 1.51 4.05 -0.99 -2.17 114.93 115.93 2ckj h MET 366 Ca 0.17 0.06 0.20 0.00 -0.28 0.00 0.00 59.70 59.85 2ckj h MET 366 Cb 0.11 0.20 -0.12 0.00 -0.80 0.00 0.00 31.60 30.99 2ckj h MET 366 CO -0.14 -0.57 0.41 0.00 0.23 0.00 0.00 176.91 176.84 2ckj h ALA 367 N -0.59 1.40 0.00 0.39 0.00 -0.86 -1.65 119.26 117.96 2ckj h ALA 367 Ca -0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ckj h ALA 367 Cb 0.70 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ckj h ALA 367 CO 0.15 -0.26 -0.06 1.03 0.00 0.00 0.00 179.25 180.11 2ckj h SER 368 N 0.47 0.00 -5.42 0.00 0.87 -0.92 -3.44 113.55 105.10 2ckj h SER 368 Ca 0.53 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2ckj h SER 368 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2ckj h SER 368 CO -0.48 0.06 -0.81 0.61 -0.53 0.00 0.00 176.83 175.69 2ckj n GLY 369 N -1.22 -2.31 2.80 5.77 0.00 -0.62 -4.97 105.19 104.64 2ckj n GLY 369 Ca -0.03 0.83 -0.15 0.00 0.00 0.00 0.00 46.02 46.68 2ckj n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 370 N 0.25 0.82 -3.66 4.61 0.00 -0.87 -4.81 120.51 116.85 2ckj n ALA 370 Ca 0.04 -1.53 -0.30 0.00 0.00 0.00 0.00 53.44 51.66 2ckj n ALA 370 Cb 0.30 0.47 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 2ckj n ALA 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 371 N -3.83 0.72 0.40 0.00 2.20 -1.13 -0.45 119.74 117.65 2ckj s LYS 371 Ca 0.38 -1.21 -0.16 0.00 -0.36 0.00 0.00 55.97 54.63 2ckj s LYS 371 Cb -0.03 -1.83 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 2ckj s LYS 371 CO 0.24 -1.06 0.84 -0.51 -0.36 0.00 0.00 175.35 174.51 2ckj s LEU 372 N 1.37 3.91 -0.41 5.43 1.43 0.41 -1.78 118.68 129.05 2ckj s LEU 372 Ca 0.12 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2ckj s LEU 372 Cb -0.19 -4.26 0.12 0.00 0.03 0.00 0.00 46.19 41.89 2ckj s LEU 372 CO -0.18 -0.35 0.18 -0.89 0.23 0.00 0.00 176.35 175.34 2ckj s THR 373 N -2.22 1.55 0.09 5.49 2.01 -0.76 -3.14 115.64 118.66 2ckj s THR 373 Ca 0.56 -2.35 -0.19 0.00 0.31 0.00 0.00 61.69 60.03 2ckj s THR 373 Cb -0.10 -2.11 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 2ckj s THR 373 CO 0.21 -0.79 0.57 -0.76 -0.69 0.00 0.00 174.62 173.16 2ckj s LEU 374 N 0.65 4.50 0.09 4.42 1.43 -1.23 -1.98 118.68 126.56 2ckj s LEU 374 Ca 0.15 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2ckj s LEU 374 Cb -0.22 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2ckj s LEU 374 CO -0.07 0.25 -0.07 0.68 0.23 0.00 0.00 176.35 177.37 2ckj s VAL 375 N -1.17 0.72 0.22 -1.59 -7.23 -0.90 -3.45 120.40 106.99 2ckj s VAL 375 Ca 0.30 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2ckj s VAL 375 Cb -0.19 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 2ckj s VAL 375 CO 0.19 -0.78 0.40 -0.55 -0.31 0.00 0.00 175.10 174.05 2ckj s SER 376 N -2.83 -0.06 -0.26 4.85 0.15 -1.17 -0.49 113.70 113.90 2ckj s SER 376 Ca 0.09 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.55 2ckj s SER 376 Cb 0.03 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2ckj s SER 376 CO -0.03 -1.04 1.28 0.00 1.20 0.00 0.00 173.24 174.65 2ckj s ARG 377 N -4.00 4.02 -0.67 5.44 1.70 -1.26 -0.98 118.95 123.19 2ckj s ARG 377 Ca 0.21 1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 56.80 2ckj s ARG 377 Cb 0.01 -3.84 0.00 0.00 -0.57 0.00 0.00 34.95 30.55 2ckj s ARG 377 CO 0.06 -0.99 0.59 0.41 -1.08 0.00 0.00 175.30 174.28 2ckj n GLY 378 N 4.08 0.19 3.31 3.88 0.00 -1.26 -5.08 105.19 110.31 2ckj n GLY 378 Ca 0.14 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2ckj n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 379 N -3.16 0.00 -0.33 2.61 2.01 -0.15 -5.08 115.64 111.54 2ckj s THR 379 Ca 0.27 -0.02 0.15 0.00 0.31 0.00 0.00 61.69 62.40 2ckj s THR 379 Cb -0.12 -0.59 0.44 0.00 0.01 0.00 0.00 72.50 72.24 2ckj s THR 379 CO 0.37 -0.01 1.29 -1.14 -0.69 0.00 0.00 174.62 174.43 2ckj n ARG 380 N 2.77 1.38 -1.04 4.92 3.00 -1.26 -3.06 116.66 123.37 2ckj n ARG 380 Ca -0.14 -2.28 -0.34 0.00 -0.00 0.00 0.00 57.85 55.09 2ckj n ARG 380 Cb 0.57 -0.48 0.02 0.00 0.00 0.00 0.00 32.46 32.57 2ckj n ARG 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ckj n ARG 381 N -0.83 0.00 -3.45 -0.14 1.74 -1.22 -4.92 116.66 107.84 2ckj n ARG 381 Ca -0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 2ckj n ARG 381 Cb 0.84 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 31.26 2ckj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2ckj s THR 382 N -1.81 0.07 0.02 0.55 2.01 -1.26 -3.58 115.64 111.65 2ckj s THR 382 Ca 0.45 -1.60 -0.16 0.00 0.31 0.00 0.00 61.69 60.70 2ckj s THR 382 Cb -0.34 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 2ckj s THR 382 CO 0.66 -0.94 0.45 0.54 -0.69 0.00 0.00 174.62 174.64 2ckj s VAL 383 N 1.14 4.96 -0.00 3.82 0.11 -1.19 -4.94 120.40 124.29 2ckj s VAL 383 Ca 0.18 0.91 -0.27 0.00 -2.93 0.00 0.00 61.98 59.87 2ckj s VAL 383 Cb -0.22 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2ckj s VAL 383 CO -0.00 0.55 0.85 -1.58 -3.33 0.00 0.00 175.10 171.59 2ckj s GLN 384 N -1.15 4.52 0.36 1.54 0.74 -1.26 -0.44 119.66 123.97 2ckj s GLN 384 Ca 0.26 1.18 -0.28 0.00 0.05 0.00 0.00 55.36 56.57 2ckj s GLN 384 Cb -0.17 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 2ckj s GLN 384 CO 0.15 0.07 1.30 1.41 -0.55 0.00 0.00 175.29 177.68 2ckj s MET 385 N 0.66 4.21 0.13 1.67 -2.45 0.41 -4.93 119.30 118.99 2ckj s MET 385 Ca 0.44 2.19 -0.25 0.00 -1.25 0.00 0.00 55.69 56.82 2ckj s MET 385 Cb -0.20 -2.95 0.08 0.00 1.25 0.00 0.00 34.83 33.01 2ckj s MET 385 CO 0.24 -0.30 1.07 0.16 1.05 0.00 0.00 175.02 177.24 2ckj s ASP 386 N -0.59 -0.07 0.58 1.11 -4.77 -1.26 -4.40 116.67 107.28 2ckj s ASP 386 Ca 0.52 -0.46 0.30 0.00 -3.30 0.00 0.00 52.55 49.60 2ckj s ASP 386 Cb -0.39 0.42 1.42 0.00 -1.09 0.00 0.00 42.92 43.28 2ckj s ASP 386 CO 0.51 -0.81 1.82 1.12 0.70 0.00 0.00 175.17 178.51 2ckj h HIS 387 N 2.00 0.00 0.00 2.11 2.07 -1.92 -1.96 115.15 117.45 2ckj h HIS 387 Ca -0.26 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.24 2ckj h HIS 387 Cb 1.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.20 2ckj h HIS 387 CO 0.84 0.00 -0.09 0.00 -3.07 0.00 0.00 177.93 175.60 2ckj h THR 388 N 0.00 0.65 -0.13 6.12 1.03 -1.96 -3.31 112.91 115.31 2ckj h THR 388 Ca 0.31 -0.38 -0.04 0.00 -0.01 0.00 0.00 66.41 66.28 2ckj h THR 388 Cb 1.56 1.24 -0.00 0.00 -1.07 0.00 0.00 68.15 69.87 2ckj h THR 388 CO -0.00 0.09 -0.09 0.15 -0.01 0.00 0.00 175.52 175.65 2ckj h PHE 389 N 0.00 0.34 -3.13 0.00 3.57 -1.74 -3.36 116.94 112.62 2ckj h PHE 389 Ca -0.00 -0.09 -0.74 0.00 3.53 0.00 0.00 57.97 60.67 2ckj h PHE 389 Cb 0.23 -0.07 -0.22 0.00 2.79 0.00 0.00 35.95 38.67 2ckj h PHE 389 CO 0.00 0.66 0.08 -0.06 -2.23 0.00 0.00 178.31 176.76 2ckj s PHE 390 N -4.42 3.27 0.25 0.41 0.40 -1.25 -3.01 117.98 113.63 2ckj s PHE 390 Ca -0.14 -1.35 0.14 0.00 -0.60 0.00 0.00 56.93 54.98 2ckj s PHE 390 Cb 0.05 -3.93 0.56 0.00 0.51 0.00 0.00 43.02 40.21 2ckj s PHE 390 CO 0.73 -1.16 1.70 -1.00 0.70 0.00 0.00 175.22 176.19 2ckj h PRO 391 N 8.73 0.00 0.00 0.24 0.13 -1.72 -3.47 132.00 135.91 2ckj h PRO 391 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2ckj h PRO 391 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ckj h PRO 391 CO 1.00 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 2ckj n GLY 392 N 0.11 1.32 3.55 1.56 0.00 -1.26 -5.06 105.19 105.41 2ckj n GLY 392 Ca -0.01 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 2ckj n GLY 392 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 393 N -5.00 1.39 -1.19 1.61 5.04 -1.26 -1.24 117.35 116.70 2ckj s TYR 393 Ca 0.00 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 55.75 2ckj s TYR 393 Cb 0.00 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.46 2ckj s TYR 393 CO 0.00 -2.41 1.01 0.54 -1.34 0.00 0.00 175.55 173.35 2ckj n ARG 394 N 9.11 -6.74 -4.25 4.97 1.74 -1.26 -5.04 116.66 115.19 2ckj n ARG 394 Ca 0.28 0.80 -0.16 0.00 -0.77 0.00 0.00 57.85 58.00 2ckj n ARG 394 Cb 0.53 -5.70 -0.10 0.00 -1.02 0.00 0.00 32.46 26.17 2ckj n ARG 394 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ckj s LYS 395 N -5.62 1.07 0.00 5.56 1.02 -0.37 -4.76 119.74 116.63 2ckj s LYS 395 Ca 0.20 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2ckj s LYS 395 Cb -0.09 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 2ckj s LYS 395 CO 0.69 0.12 0.00 0.25 -0.92 0.00 0.00 175.35 175.49 2ckj n THR 396 N 0.06 0.00 0.28 2.17 -2.24 -1.26 -4.17 114.28 109.12 2ckj n THR 396 Ca -0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2ckj n THR 396 Cb 0.59 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 2ckj n THR 396 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ckj n LEU 397 N 0.00 0.53 -4.60 3.22 4.77 -1.17 -4.76 117.00 114.99 2ckj n LEU 397 Ca 0.00 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 2ckj n LEU 397 Cb 0.00 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2ckj n LEU 397 CO 0.00 -0.03 0.59 0.18 -1.33 0.00 0.00 177.39 176.80 2ckj n LEU 398 N -2.25 2.21 -4.92 2.23 7.99 -1.26 -5.02 117.00 115.99 2ckj n LEU 398 Ca -0.00 1.12 -0.26 0.00 -0.01 0.00 0.00 56.01 56.86 2ckj n LEU 398 Cb 0.50 -1.33 -0.00 0.00 -0.11 0.00 0.00 43.42 42.49 2ckj n LEU 398 CO 0.42 -1.39 0.37 -0.94 -1.51 0.00 0.00 177.39 174.34 2ckj s SER 399 N -0.61 6.20 0.62 -1.43 1.04 -1.26 -4.98 113.70 113.28 2ckj s SER 399 Ca 0.60 0.75 0.25 0.00 0.48 0.00 0.00 55.95 58.03 2ckj s SER 399 Cb -0.63 -2.12 1.11 0.00 0.10 0.00 0.00 66.02 64.48 2ckj s SER 399 CO 0.59 -0.54 1.56 -0.65 0.98 0.00 0.00 173.24 175.18 2ckj h PRO 400 N 0.35 0.00 -0.12 4.02 0.11 -1.95 -0.07 132.00 134.33 2ckj h PRO 400 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ckj h PRO 400 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ckj h PRO 400 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2ckj n GLU 401 N -3.28 1.35 -3.26 1.05 4.71 -1.26 -4.75 120.64 115.21 2ckj n GLU 401 Ca 0.12 -1.50 -0.37 0.00 -0.01 0.00 0.00 57.16 55.39 2ckj n GLU 401 Cb 1.01 -1.26 -0.06 0.00 -1.01 0.00 0.00 31.44 30.12 2ckj n GLU 401 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ckj s GLU 402 N -1.03 4.17 0.15 3.49 2.02 -0.04 -4.55 118.70 122.90 2ckj s GLU 402 Ca 0.18 0.71 0.08 0.00 0.02 0.00 0.00 54.97 55.96 2ckj s GLU 402 Cb 0.11 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 2ckj s GLU 402 CO 0.16 0.56 -0.18 0.96 0.02 0.00 0.00 175.26 176.78 2ckj s ILE 403 N -1.27 1.76 -0.21 -1.63 -5.25 0.36 -4.78 121.20 110.18 2ckj s ILE 403 Ca 0.34 -1.83 -0.16 0.00 -0.99 0.00 0.00 60.65 58.00 2ckj s ILE 403 Cb -0.18 -1.77 -0.04 0.00 2.95 0.00 0.00 42.46 43.42 2ckj s ILE 403 CO 0.20 -0.28 0.41 -0.22 -1.79 0.00 0.00 174.94 173.26 2ckj s LEU 404 N -2.51 4.14 -0.00 0.37 2.96 -1.26 -2.12 118.68 120.26 2ckj s LEU 404 Ca 0.13 0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 54.55 2ckj s LEU 404 Cb -0.06 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2ckj s LEU 404 CO 0.06 -0.10 0.19 0.25 -1.32 0.00 0.00 176.35 175.43 2ckj h LEU 405 N 7.76 -0.01 -7.58 -0.68 5.85 -1.75 -3.43 115.31 115.48 2ckj h LEU 405 Ca -0.35 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 2ckj h LEU 405 Cb 1.16 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.00 2ckj h LEU 405 CO 0.71 0.01 -0.31 -0.94 -0.34 0.00 0.00 178.44 177.57 2ckj s SER 406 N -2.89 -0.12 0.13 1.25 1.04 -1.22 -0.84 113.70 111.05 2ckj s SER 406 Ca -0.00 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2ckj s SER 406 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2ckj s SER 406 CO 0.00 -0.50 0.27 -0.51 0.98 0.00 0.00 173.24 173.48 2ckj s ILE 407 N -1.86 5.34 -0.14 -1.02 1.10 -1.08 -1.83 121.20 121.71 2ckj s ILE 407 Ca -0.10 -0.61 -0.02 0.00 -0.51 0.00 0.00 60.65 59.41 2ckj s ILE 407 Cb -0.04 -3.72 0.04 0.00 0.15 0.00 0.00 42.46 38.90 2ckj s ILE 407 CO 0.01 -0.04 -0.00 -0.70 -2.11 0.00 0.00 174.94 172.09 2ckj s GLU 408 N -3.07 0.88 0.06 3.50 2.12 -0.73 -0.86 118.70 120.60 2ckj s GLU 408 Ca 0.35 -0.27 -0.19 0.00 0.36 0.00 0.00 54.97 55.22 2ckj s GLU 408 Cb -0.11 -1.69 -0.06 0.00 0.26 0.00 0.00 34.13 32.52 2ckj s GLU 408 CO 0.28 -0.46 0.57 0.42 -0.54 0.00 0.00 175.26 175.53 2ckj s ILE 409 N 1.83 4.78 0.18 -3.70 1.01 0.23 -2.86 121.20 122.67 2ckj s ILE 409 Ca 0.02 1.21 -0.06 0.00 0.00 0.00 0.00 60.65 61.82 2ckj s ILE 409 Cb -0.15 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 2ckj s ILE 409 CO -0.07 0.53 0.43 -2.16 0.00 0.00 0.00 174.94 173.67 2ckj s PRO 410 N -0.94 3.65 0.75 2.79 0.04 -1.26 -1.88 135.00 138.16 2ckj s PRO 410 Ca 0.29 -0.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 2ckj s PRO 410 Cb -0.19 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.61 2ckj s PRO 410 CO 0.18 0.41 1.10 0.71 0.04 0.00 0.00 177.00 179.44 2ckj s TYR 411 N -1.74 2.56 -0.08 0.56 1.51 -1.02 -4.68 117.35 114.47 2ckj s TYR 411 Ca 0.42 1.56 -0.13 0.00 -1.01 0.00 0.00 57.07 57.91 2ckj s TYR 411 Cb -0.12 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.60 2ckj s TYR 411 CO 0.25 -1.80 0.33 0.45 -1.11 0.00 0.00 175.55 173.67 2ckj s SER 412 N -3.16 6.61 0.82 2.29 0.15 0.30 -4.96 113.70 115.75 2ckj s SER 412 Ca 0.63 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.89 2ckj s SER 412 Cb -0.18 -2.20 0.09 0.00 -1.71 0.00 0.00 66.02 62.01 2ckj s SER 412 CO 0.52 0.25 1.09 -0.13 1.20 0.00 0.00 173.24 176.17 2ckj s ARG 413 N -0.48 1.86 -0.22 5.44 0.52 -1.26 -3.68 118.95 121.13 2ckj s ARG 413 Ca 0.20 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 55.95 2ckj s ARG 413 Cb -0.15 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 2ckj s ARG 413 CO 0.09 -1.83 1.67 -1.21 0.02 0.00 0.00 175.30 174.04 2ckj s GLU 414 N -5.02 3.73 -0.75 3.54 0.41 -1.26 -1.43 118.70 117.92 2ckj s GLU 414 Ca 0.62 1.69 -0.04 0.00 -0.41 0.00 0.00 54.97 56.82 2ckj s GLU 414 Cb -0.16 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.12 2ckj s GLU 414 CO 0.56 -1.37 0.65 0.41 -0.49 0.00 0.00 175.26 175.01 2ckj n GLY 415 N 4.78 0.10 3.39 -1.39 0.00 -1.26 -4.93 105.19 105.88 2ckj n GLY 415 Ca 0.20 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2ckj n GLY 415 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ckj s GLU 416 N -5.61 2.26 0.03 1.61 2.12 -0.52 -2.81 118.70 115.79 2ckj s GLU 416 Ca 0.29 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.81 2ckj s GLU 416 Cb -0.13 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 2ckj s GLU 416 CO 0.41 0.58 -0.11 0.71 -0.54 0.00 0.00 175.26 176.32 2ckj s TYR 417 N -0.68 0.93 -0.13 5.30 4.12 0.29 -4.84 117.35 122.33 2ckj s TYR 417 Ca 0.11 -0.35 -0.07 0.00 0.02 0.00 0.00 57.07 56.78 2ckj s TYR 417 Cb -0.10 -0.55 0.05 0.00 -1.52 0.00 0.00 41.96 39.84 2ckj s TYR 417 CO -0.00 -0.01 0.31 0.12 0.02 0.00 0.00 175.55 175.99 2ckj s PHE 418 N -0.88 -0.45 0.33 2.71 5.99 -1.26 -1.83 117.98 122.59 2ckj s PHE 418 Ca -0.02 1.00 0.03 0.00 0.00 0.00 0.00 56.93 57.95 2ckj s PHE 418 Cb -0.07 0.12 -0.06 0.00 0.00 0.00 0.00 43.02 43.01 2ckj s PHE 418 CO 0.01 -0.29 0.07 -1.12 -0.00 0.00 0.00 175.22 173.89 2ckj s SER 419 N 1.50 2.31 0.07 6.13 0.01 -0.90 -4.84 113.70 117.97 2ckj s SER 419 Ca -0.08 -1.42 0.03 0.00 1.31 0.00 0.00 55.95 55.79 2ckj s SER 419 Cb -0.10 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 2ckj s SER 419 CO -0.10 -0.67 -0.10 0.00 0.41 0.00 0.00 173.24 172.78 2ckj s ALA 420 N -3.33 0.89 0.10 1.44 0.00 -1.26 -0.94 121.76 118.65 2ckj s ALA 420 Ca 0.35 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2ckj s ALA 420 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2ckj s ALA 420 CO 0.15 0.02 -0.08 -0.06 0.00 0.00 0.00 175.76 175.79 2ckj s PHE 421 N -1.69 0.97 -0.16 0.00 2.99 0.83 -4.99 117.98 115.92 2ckj s PHE 421 Ca -0.03 -0.74 -0.11 0.00 0.00 0.00 0.00 56.93 56.04 2ckj s PHE 421 Cb -0.08 -0.54 0.05 0.00 0.00 0.00 0.00 43.02 42.45 2ckj s PHE 421 CO 0.01 -0.06 0.41 0.21 -0.00 0.00 0.00 175.22 175.79 2ckj s LYS 422 N -3.14 0.43 -0.01 0.44 2.20 -1.26 -1.80 119.74 116.60 2ckj s LYS 422 Ca 0.07 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.41 2ckj s LYS 422 Cb -0.00 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2ckj s LYS 422 CO -0.02 -0.12 -0.06 -1.14 -0.36 0.00 0.00 175.35 173.65 2ckj s GLN 423 N 0.91 0.55 0.00 4.03 2.00 -1.18 -5.06 119.66 120.91 2ckj s GLN 423 Ca -0.06 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.08 2ckj s GLN 423 Cb -0.06 -0.53 0.00 0.00 0.80 0.00 0.00 33.01 33.22 2ckj s GLN 423 CO -0.07 0.13 0.00 0.00 -0.50 0.00 0.00 175.29 174.85 2ckj n ALA 424 N 2.98 2.25 0.00 1.58 0.00 -1.26 -2.00 120.51 124.05 2ckj n ALA 424 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 424 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2ckj n ALA 424 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 425 N -1.37 0.00 -1.37 0.00 3.41 -1.26 -4.53 113.62 108.50 2ckj n SER 425 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ckj n SER 425 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ckj n SER 425 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ckj n ARG 426 N 0.00 0.00 0.00 4.33 0.63 -1.26 -4.88 116.66 115.48 2ckj n ARG 426 Ca 0.00 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2ckj n ARG 426 Cb 0.00 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2ckj n ARG 426 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2ckj n ARG 427 N -0.03 0.00 -2.35 -0.14 1.85 -1.26 -4.24 116.66 110.49 2ckj n ARG 427 Ca 0.00 0.05 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 2ckj n ARG 427 Cb 0.00 -0.12 -0.03 0.00 -1.05 0.00 0.00 32.46 31.26 2ckj n ARG 427 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2ckj s GLU 428 N -0.73 4.38 -0.11 2.89 1.03 -1.26 -4.01 118.70 120.89 2ckj s GLU 428 Ca 0.00 1.84 -0.00 0.00 0.03 0.00 0.00 54.97 56.84 2ckj s GLU 428 Cb 0.00 -3.38 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 2ckj s GLU 428 CO 0.00 -0.36 0.01 -3.47 -1.33 0.00 0.00 175.26 170.11 2ckj n ASP 429 N 4.29 -6.97 0.00 0.83 4.64 -1.26 -5.01 116.55 113.07 2ckj n ASP 429 Ca 0.10 0.82 0.00 0.00 -1.38 0.00 0.00 54.79 54.33 2ckj n ASP 429 Cb 0.45 -3.02 0.00 0.00 -1.04 0.00 0.00 41.12 37.52 2ckj n ASP 429 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2ckj n ASP 430 N 1.15 0.00 -4.63 1.67 8.00 -1.26 -4.96 116.55 116.52 2ckj n ASP 430 Ca -0.01 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 2ckj n ASP 430 Cb 0.31 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 2ckj n ASP 430 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2ckj s ILE 431 N -2.42 3.39 -0.30 0.53 -4.36 -1.26 -4.83 121.20 111.94 2ckj s ILE 431 Ca 0.00 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 2ckj s ILE 431 Cb 0.00 -2.80 0.09 0.00 1.25 0.00 0.00 42.46 41.01 2ckj s ILE 431 CO 0.00 -0.35 0.06 0.00 0.24 0.00 0.00 174.94 174.89 2ckj s ALA 432 N -2.27 1.94 0.30 2.27 0.00 -1.26 -4.70 121.76 118.04 2ckj s ALA 432 Ca 0.31 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.50 2ckj s ALA 432 Cb -0.07 -1.68 0.47 0.00 0.00 0.00 0.00 23.12 21.85 2ckj s ALA 432 CO 0.19 -1.60 1.71 0.87 0.00 0.00 0.00 175.76 176.93 2ckj h LYS 433 N 7.95 0.21 -3.59 0.00 1.57 -1.64 -3.42 116.57 117.65 2ckj h LYS 433 Ca -0.12 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.35 2ckj h LYS 433 Cb 1.03 -0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.06 2ckj h LYS 433 CO 0.47 0.59 -0.65 0.08 -0.57 0.00 0.00 179.45 179.38 2ckj s VAL 434 N -4.12 0.00 -0.01 0.50 1.01 -1.22 -4.70 120.40 111.86 2ckj s VAL 434 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2ckj s VAL 434 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.41 2ckj s VAL 434 CO 0.77 -0.01 0.12 0.28 0.00 0.00 0.00 175.10 176.25 2ckj s THR 435 N -0.01 0.06 -0.05 3.92 -1.32 -0.96 -3.09 115.64 114.19 2ckj s THR 435 Ca -0.00 -0.53 -0.10 0.00 -1.21 0.00 0.00 61.69 59.85 2ckj s THR 435 Cb -0.01 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.66 2ckj s THR 435 CO 0.00 -0.29 0.25 -0.55 -2.21 0.00 0.00 174.62 171.82 2ckj s SER 436 N -0.99 -0.18 -0.11 8.08 0.15 -0.75 0.08 113.70 119.98 2ckj s SER 436 Ca -0.11 0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.82 2ckj s SER 436 Cb -0.06 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2ckj s SER 436 CO 0.01 -0.25 -0.21 -0.83 1.20 0.00 0.00 173.24 173.16 2ckj s GLY 437 N -0.60 1.27 -0.07 9.45 0.00 -0.94 -0.12 107.32 116.31 2ckj s GLY 437 Ca -0.07 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.76 2ckj s GLY 437 CO 0.02 -0.13 -0.23 1.06 0.00 0.00 0.00 173.10 173.82 2ckj s MET 438 N 0.60 2.48 -0.02 2.90 -1.94 -0.12 -1.74 119.30 121.46 2ckj s MET 438 Ca -0.13 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 2ckj s MET 438 Cb -0.17 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.64 2ckj s MET 438 CO 0.04 0.29 -0.07 0.50 -0.01 0.00 0.00 175.02 175.77 2ckj s ARG 439 N 0.04 0.75 -0.01 2.03 3.52 -0.52 -2.13 118.95 122.63 2ckj s ARG 439 Ca -0.08 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2ckj s ARG 439 Cb -0.14 -0.72 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 2ckj s ARG 439 CO 0.05 0.07 -0.11 0.54 -0.81 0.00 0.00 175.30 175.04 2ckj s VAL 440 N 0.24 0.85 -0.04 7.11 0.11 -0.76 -1.63 120.40 126.29 2ckj s VAL 440 Ca -0.03 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2ckj s VAL 440 Cb -0.08 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2ckj s VAL 440 CO 0.00 0.24 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.63 2ckj s LEU 441 N -0.20 1.91 0.15 2.54 2.96 -0.72 0.10 118.68 125.42 2ckj s LEU 441 Ca 0.03 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2ckj s LEU 441 Cb -0.05 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2ckj s LEU 441 CO -0.00 0.15 0.17 -0.36 -1.32 0.00 0.00 176.35 174.98 2ckj s PHE 442 N 0.04 3.24 -0.16 5.38 2.99 -1.12 -0.71 117.98 127.63 2ckj s PHE 442 Ca -0.03 0.03 -0.29 0.00 0.00 0.00 0.00 56.93 56.64 2ckj s PHE 442 Cb -0.11 -1.57 -0.02 0.00 0.00 0.00 0.00 43.02 41.32 2ckj s PHE 442 CO 0.02 0.52 1.39 0.21 -0.00 0.00 0.00 175.22 177.36 2ckj s LYS 443 N -3.04 4.14 0.78 0.44 2.20 -1.26 -4.61 119.74 118.38 2ckj s LYS 443 Ca 0.32 1.72 -0.13 0.00 -0.36 0.00 0.00 55.97 57.52 2ckj s LYS 443 Cb -0.11 -3.86 0.07 0.00 -1.51 0.00 0.00 37.83 32.43 2ckj s LYS 443 CO 0.25 -0.85 1.19 -1.25 -0.36 0.00 0.00 175.35 174.33 2ckj s PRO 444 N 3.82 1.82 0.00 4.03 0.04 -1.26 -3.23 135.00 140.23 2ckj s PRO 444 Ca 0.61 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2ckj s PRO 444 Cb -0.24 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2ckj s PRO 444 CO 0.20 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2ckj n GLY 445 N 0.30 0.13 3.12 0.56 0.00 -1.26 -4.95 105.19 103.09 2ckj n GLY 445 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2ckj n GLY 445 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ckj s THR 446 N -1.39 0.38 0.53 2.61 -4.23 -1.20 -5.16 115.64 107.19 2ckj s THR 446 Ca 0.00 -1.86 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 2ckj s THR 446 Cb 0.00 -1.61 -0.06 0.00 1.34 0.00 0.00 72.50 72.17 2ckj s THR 446 CO 0.00 -0.92 1.33 1.07 -0.54 0.00 0.00 174.62 175.56 2ckj n THR 447 N 0.04 3.63 0.00 3.99 5.66 -1.26 -4.34 114.28 122.01 2ckj n THR 447 Ca -0.13 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2ckj n THR 447 Cb 0.61 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 2ckj n THR 447 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2ckj n GLU 448 N -0.85 0.00 0.00 1.09 2.13 -1.26 -4.78 120.64 116.97 2ckj n GLU 448 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2ckj n GLU 448 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 2ckj n GLU 448 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ckj n VAL 449 N -2.15 0.00 0.15 6.31 0.31 -1.26 -3.09 118.33 118.61 2ckj n VAL 449 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2ckj n VAL 449 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2ckj n VAL 449 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ckj h GLN 450 N 0.00 -0.40 -6.51 5.55 -0.00 -1.18 -2.23 115.11 110.35 2ckj h GLN 450 Ca 0.00 0.03 -0.70 0.00 -0.00 0.00 0.00 58.65 57.98 2ckj h GLN 450 Cb 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 27.48 27.27 2ckj h GLN 450 CO 0.00 -0.27 -0.88 -1.21 0.00 0.00 0.00 178.83 176.47 2ckj s GLU 451 N -3.13 2.20 -0.02 1.69 2.02 -1.13 -4.73 118.70 115.59 2ckj s GLU 451 Ca -0.06 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2ckj s GLU 451 Cb 0.01 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.19 2ckj s GLU 451 CO 0.18 0.53 0.01 -1.17 0.02 0.00 0.00 175.26 174.83 2ckj s LEU 452 N -0.55 1.28 -0.00 1.80 2.96 -1.26 -1.76 118.68 121.15 2ckj s LEU 452 Ca 0.08 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2ckj s LEU 452 Cb -0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.43 2ckj s LEU 452 CO -0.00 -0.09 -0.03 0.00 -1.32 0.00 0.00 176.35 174.91 2ckj s ALA 453 N 0.86 0.23 -0.29 5.97 0.00 -0.64 -4.84 121.76 123.05 2ckj s ALA 453 Ca -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2ckj s ALA 453 Cb -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.02 2ckj s ALA 453 CO -0.02 0.05 0.03 -0.51 0.00 0.00 0.00 175.76 175.31 2ckj s LEU 454 N -0.01 3.14 -0.16 0.00 1.43 -1.26 -1.44 118.68 120.38 2ckj s LEU 454 Ca 0.00 -1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 51.44 2ckj s LEU 454 Cb -0.02 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 2ckj s LEU 454 CO -0.00 -0.34 -0.00 0.00 0.23 0.00 0.00 176.35 176.24 2ckj s TYR 456 N 0.29 1.80 0.29 0.00 1.51 0.37 -2.20 117.35 119.42 2ckj s TYR 456 Ca -0.01 -0.96 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 2ckj s TYR 456 Cb -0.13 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.23 2ckj s TYR 456 CO 0.02 -0.58 0.74 0.20 -1.11 0.00 0.00 175.55 174.82 2ckj s GLY 457 N 1.59 2.45 0.00 0.71 0.00 0.11 -2.63 107.32 109.56 2ckj s GLY 457 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.88 2ckj s GLY 457 CO -0.09 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2ckj n GLY 458 N 0.05 0.76 0.00 0.20 0.00 -1.20 -2.27 105.19 102.73 2ckj n GLY 458 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2ckj n GLY 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 459 N -2.25 1.14 0.00 1.61 2.00 -1.26 -4.87 117.12 113.49 2ckj n MET 459 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.63 2ckj n MET 459 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.03 2ckj n MET 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ckj n ALA 460 N -1.71 0.00 -0.21 3.04 0.00 -1.26 -5.03 120.51 115.33 2ckj n ALA 460 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 2ckj n ALA 460 Cb 0.25 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.29 2ckj n ALA 460 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ckj h ASN 461 N 0.00 0.25 -2.60 0.00 2.35 -1.98 -3.48 115.58 110.12 2ckj h ASN 461 Ca 0.00 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2ckj h ASN 461 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2ckj h ASN 461 CO 0.00 0.10 0.27 -2.11 -1.65 0.00 0.00 177.43 174.04 2ckj n ARG 462 N -4.43 0.90 -2.66 0.81 -4.01 -1.26 -4.34 116.66 101.67 2ckj n ARG 462 Ca 0.19 -1.79 -0.42 0.00 -1.04 0.00 0.00 57.85 54.79 2ckj n ARG 462 Cb 0.78 2.25 -0.03 0.00 -3.04 0.00 0.00 32.46 32.42 2ckj n ARG 462 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2ckj s THR 463 N -2.23 4.12 0.21 8.89 2.01 -1.26 -4.69 115.64 122.69 2ckj s THR 463 Ca 0.14 0.71 0.01 0.00 0.31 0.00 0.00 61.69 62.87 2ckj s THR 463 Cb -0.04 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 2ckj s THR 463 CO 0.09 -1.28 0.38 0.27 -0.69 0.00 0.00 174.62 173.39 2ckj s ILE 464 N 4.67 5.23 -0.02 1.82 -0.00 -1.08 -4.87 121.20 126.95 2ckj s ILE 464 Ca 0.39 -0.55 -0.06 0.00 -0.00 0.00 0.00 60.65 60.42 2ckj s ILE 464 Cb -0.09 -3.77 -0.04 0.00 -0.00 0.00 0.00 42.46 38.56 2ckj s ILE 464 CO 0.23 -0.22 0.23 -0.55 -0.00 0.00 0.00 174.94 174.63 2ckj s SER 465 N -3.41 6.47 0.33 4.36 0.15 -1.26 0.14 113.70 120.47 2ckj s SER 465 Ca 0.37 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.81 2ckj s SER 465 Cb -0.11 -2.08 1.07 0.00 -1.71 0.00 0.00 66.02 63.20 2ckj s SER 465 CO 0.30 0.29 1.05 0.00 1.20 0.00 0.00 173.24 176.07 2ckj n ALA 466 N 1.31 1.07 0.03 5.45 0.00 -0.26 -4.77 120.51 123.35 2ckj n ALA 466 Ca -0.13 0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.88 2ckj n ALA 466 Cb 0.53 -0.73 0.46 0.00 0.00 0.00 0.00 19.45 19.71 2ckj n ALA 466 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2ckj h LEU 467 N 0.00 0.39 -0.09 0.00 8.10 -1.96 -3.22 115.31 118.53 2ckj h LEU 467 Ca 0.61 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.59 2ckj h LEU 467 Cb 2.18 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 42.30 2ckj h LEU 467 CO -0.18 0.28 0.05 0.11 -4.11 0.00 0.00 178.44 174.59 2ckj h LYS 468 N 0.46 0.13 -0.60 0.17 1.57 -1.97 0.60 116.57 116.92 2ckj h LYS 468 Ca 0.14 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2ckj h LYS 468 Cb -0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2ckj h LYS 468 CO -0.03 0.16 0.36 1.15 -0.57 0.00 0.00 179.45 180.52 2ckj h THR 469 N 0.06 1.18 0.17 -0.16 2.02 -1.85 -3.17 112.91 111.16 2ckj h THR 469 Ca 0.03 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2ckj h THR 469 Cb 0.07 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 2ckj h THR 469 CO -0.01 0.19 -0.47 0.74 0.37 0.00 0.00 175.52 176.34 2ckj h THR 470 N 0.82 0.08 0.00 3.16 2.02 -1.51 -3.20 112.91 114.29 2ckj h THR 470 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2ckj h THR 470 Cb -0.01 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2ckj h THR 470 CO -0.04 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.52 2ckj n GLN 471 N -5.49 0.00 -0.38 6.66 -0.06 0.14 -2.26 117.38 115.99 2ckj n GLN 471 Ca -0.08 0.83 0.32 0.00 -2.00 0.00 0.00 57.00 56.07 2ckj n GLN 471 Cb 0.40 -1.33 0.55 0.00 -4.06 0.00 0.00 30.24 25.80 2ckj n GLN 471 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2ckj n ARG 472 N -2.32 -0.03 0.00 3.69 0.63 -1.21 -0.84 116.66 116.58 2ckj n ARG 472 Ca 0.00 1.03 0.14 0.00 -0.92 0.00 0.00 57.85 58.09 2ckj n ARG 472 Cb 0.00 -2.01 0.69 0.00 0.45 0.00 0.00 32.46 31.58 2ckj n ARG 472 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ckj n GLN 473 N -4.36 0.36 -2.41 -0.14 1.13 -0.96 -4.89 117.38 106.12 2ckj n GLN 473 Ca 0.33 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 2ckj n GLN 473 Cb 1.26 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 30.09 2ckj n GLN 473 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2ckj s LEU 474 N -2.60 4.31 -1.26 1.08 0.20 -0.02 -3.19 118.68 117.20 2ckj s LEU 474 Ca 0.25 1.92 -0.14 0.00 0.69 0.00 0.00 54.13 56.85 2ckj s LEU 474 Cb 0.18 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.38 2ckj s LEU 474 CO 0.43 -0.57 0.63 -1.54 -0.29 0.00 0.00 176.35 175.00 2ckj n SER 475 N 4.83 -3.16 0.00 3.68 3.41 -0.84 -5.08 113.62 116.46 2ckj n SER 475 Ca 0.11 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2ckj n SER 475 Cb 0.46 -3.03 0.00 0.00 -0.26 0.00 0.00 64.21 61.38 2ckj n SER 475 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ckj n LYS 476 N -4.38 2.37 -3.95 4.33 5.02 -1.18 -4.96 118.16 115.42 2ckj n LYS 476 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 2ckj n LYS 476 Cb 0.63 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.51 2ckj n LYS 476 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ckj s LEU 477 N 0.00 2.14 -0.68 -0.35 1.02 -1.25 -4.32 118.68 115.23 2ckj s LEU 477 Ca 0.00 -0.29 -0.26 0.00 0.02 0.00 0.00 54.13 53.60 2ckj s LEU 477 Cb 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 46.19 46.24 2ckj s LEU 477 CO 0.00 -0.16 1.67 0.86 0.02 0.00 0.00 176.35 178.73 2ckj s TRP 478 N -0.83 1.89 -0.14 0.29 -0.11 -1.26 -4.54 118.94 114.24 2ckj s TRP 478 Ca -0.09 0.46 -0.32 0.00 1.22 0.00 0.00 56.10 57.37 2ckj s TRP 478 Cb -0.06 -4.28 0.13 0.00 -1.50 0.00 0.00 33.47 27.76 2ckj s TRP 478 CO -0.01 -2.19 1.09 0.15 -4.62 0.00 0.00 176.95 171.38 2ckj s LYS 479 N 6.56 0.48 0.12 5.86 1.02 -1.26 -5.07 119.74 127.46 2ckj s LYS 479 Ca 0.56 -0.13 -0.09 0.00 0.02 0.00 0.00 55.97 56.33 2ckj s LYS 479 Cb -0.10 0.22 0.13 0.00 -0.52 0.00 0.00 37.83 37.56 2ckj s LYS 479 CO 0.17 -0.20 0.82 -1.91 -0.92 0.00 0.00 175.35 173.31 2ckj n GLU 480 N 0.00 -0.12 -0.00 1.68 4.07 -1.26 -1.60 120.64 123.41 2ckj n GLU 480 Ca -0.04 0.82 0.14 0.00 -0.06 0.00 0.00 57.16 58.02 2ckj n GLU 480 Cb 0.59 -1.21 0.84 0.00 -0.06 0.00 0.00 31.44 31.60 2ckj n GLU 480 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ckj n GLU 481 N -4.78 1.01 -0.08 5.31 4.71 -1.26 -2.08 120.64 123.47 2ckj n GLU 481 Ca 0.05 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.04 2ckj n GLU 481 Cb 0.21 -1.45 -0.10 0.00 -1.01 0.00 0.00 31.44 29.10 2ckj n GLU 481 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ckj h LEU 482 N 0.05 0.00 -1.54 -4.62 5.85 -1.54 -3.24 115.31 110.27 2ckj h LEU 482 Ca 0.00 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.12 2ckj h LEU 482 Cb 0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2ckj h LEU 482 CO 0.00 1.06 0.36 0.25 -0.34 0.00 0.00 178.44 179.77 2ckj h LEU 483 N -1.00 0.51 0.79 2.25 5.85 -1.39 0.61 115.31 122.93 2ckj h LEU 483 Ca -0.11 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2ckj h LEU 483 Cb 0.92 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.84 2ckj h LEU 483 CO -0.06 0.34 -0.38 1.56 -0.34 0.00 0.00 178.44 179.56 2ckj h GLN 484 N 0.59 -1.02 -0.41 1.25 1.08 -1.65 -2.86 115.11 112.08 2ckj h GLN 484 Ca 0.22 0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2ckj h GLN 484 Cb 0.15 0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2ckj h GLN 484 CO -0.06 -0.67 0.18 0.22 -0.95 0.00 0.00 178.83 177.56 2ckj h ASP 485 N -1.20 0.52 0.23 1.46 1.82 -1.22 0.54 116.42 118.56 2ckj h ASP 485 Ca -0.11 -0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2ckj h ASP 485 Cb 0.83 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2ckj h ASP 485 CO 0.18 0.46 -0.17 0.58 -1.61 0.00 0.00 179.24 178.67 2ckj h VAL 486 N 0.58 0.63 0.00 2.25 2.07 -1.03 -2.48 116.25 118.28 2ckj h VAL 486 Ca 0.15 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 2ckj h VAL 486 Cb 0.09 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2ckj h VAL 486 CO -0.02 0.00 -0.52 0.00 0.02 0.00 0.00 177.57 177.05 2ckj h ALA 488 N 1.48 -0.52 0.00 0.00 0.00 -0.63 -3.20 119.26 116.40 2ckj h ALA 488 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ckj h ALA 488 Cb 1.03 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2ckj h ALA 488 CO 0.07 -0.82 0.00 0.78 0.00 0.00 0.00 179.25 179.27 2ckj h GLY 489 N -0.53 0.00 2.00 0.00 0.00 -0.89 -1.90 103.07 101.75 2ckj h GLY 489 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2ckj h GLY 489 CO -0.07 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.61 2ckj h LEU 490 N 0.00 0.00 0.01 3.11 3.38 -1.05 -2.55 115.31 118.21 2ckj h LEU 490 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2ckj h LEU 490 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2ckj h LEU 490 CO 0.00 0.27 -1.77 0.00 0.09 0.00 0.00 178.44 177.03 2ckj n ALA 491 N -2.21 1.47 0.08 1.53 0.00 -0.73 -3.54 120.51 117.10 2ckj n ALA 491 Ca 0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 2ckj n ALA 491 Cb 0.50 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2ckj n ALA 491 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ckj h GLU 492 N 0.00 -0.26 0.13 0.00 4.81 -1.60 -3.31 114.58 114.36 2ckj h GLU 492 Ca -0.31 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2ckj h GLU 492 Cb 2.03 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.43 2ckj h GLU 492 CO 0.08 -0.17 -0.51 1.49 -0.73 0.00 0.00 179.01 179.16 2ckj h GLU 493 N -0.86 -0.72 -1.31 1.92 4.81 -1.61 -1.49 114.58 115.32 2ckj h GLU 493 Ca -0.03 0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.00 2ckj h GLU 493 Cb 0.21 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 29.62 2ckj h GLU 493 CO 0.05 -0.48 0.33 1.28 -0.73 0.00 0.00 179.01 179.46 2ckj n LEU 494 N -5.38 5.53 -4.76 1.64 4.32 -1.23 -4.97 117.00 112.16 2ckj n LEU 494 Ca -0.08 -2.83 -0.37 0.00 -0.02 0.00 0.00 56.01 52.71 2ckj n LEU 494 Cb 0.40 -0.87 0.02 0.00 -1.62 0.00 0.00 43.42 41.35 2ckj n LEU 494 CO 0.15 0.99 0.87 -2.28 -1.22 0.00 0.00 177.39 175.90 2ckj s HIS 495 N -1.51 2.49 -0.13 -1.77 2.46 -0.56 -4.97 115.29 111.29 2ckj s HIS 495 Ca 0.26 1.49 -0.02 0.00 0.47 0.00 0.00 55.06 57.26 2ckj s HIS 495 Cb 0.21 -3.53 -0.03 0.00 -0.13 0.00 0.00 32.58 29.11 2ckj s HIS 495 CO 0.02 -2.19 -0.06 -0.51 -2.47 0.00 0.00 174.74 169.53 2ckj s LEU 496 N -3.70 3.12 0.32 8.88 1.43 -1.26 -5.10 118.68 122.38 2ckj s LEU 496 Ca 0.73 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 2ckj s LEU 496 Cb -0.32 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.08 2ckj s LEU 496 CO 0.36 0.21 1.17 -2.16 0.23 0.00 0.00 176.35 176.17 2ckj s PRO 497 N 0.08 4.44 0.34 1.29 0.04 -1.26 -4.96 135.00 134.97 2ckj s PRO 497 Ca -0.02 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.20 2ckj s PRO 497 Cb -0.14 -3.04 0.86 0.00 0.04 0.00 0.00 34.50 32.22 2ckj s PRO 497 CO 0.03 -0.01 1.76 -1.35 0.04 0.00 0.00 177.00 177.48 2ckj h PRO 498 N 3.44 0.00 0.00 0.56 0.11 -2.01 -1.23 132.00 132.88 2ckj h PRO 498 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ckj h PRO 498 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ckj h PRO 498 CO 0.66 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2ckj n ASP 499 N -2.60 0.09 -4.45 -2.05 5.75 -1.26 -4.79 116.55 107.24 2ckj n ASP 499 Ca 0.03 0.53 -0.36 0.00 -0.01 0.00 0.00 54.79 54.99 2ckj n ASP 499 Cb 0.38 -0.55 0.07 0.00 -1.03 0.00 0.00 41.12 39.99 2ckj n ASP 499 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj n ALA 500 N -1.54 -1.71 -2.27 2.12 0.00 -0.47 -4.67 120.51 111.97 2ckj n ALA 500 Ca 0.02 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 2ckj n ALA 500 Cb 0.10 -1.83 0.02 0.00 0.00 0.00 0.00 19.45 17.74 2ckj n ALA 500 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ckj s PRO 501 N -2.82 3.03 0.00 0.00 0.04 -1.26 -3.78 135.00 130.21 2ckj s PRO 501 Ca 0.64 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2ckj s PRO 501 Cb -0.33 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2ckj s PRO 501 CO 0.60 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.69 2ckj n GLY 502 N -2.18 2.92 7.00 0.56 0.00 -1.26 -5.00 105.19 107.23 2ckj n GLY 502 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ckj n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 503 N -0.58 0.17 3.75 -0.02 0.00 -1.25 -4.99 105.19 102.28 2ckj n GLY 503 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2ckj n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 504 N 0.00 -3.33 -0.04 1.61 2.81 -1.26 -4.87 117.12 112.04 2ckj n MET 504 Ca 0.00 0.52 -0.22 0.00 -1.81 0.00 0.00 57.70 56.19 2ckj n MET 504 Cb 0.00 -4.73 -0.13 0.00 -0.71 0.00 0.00 33.22 27.65 2ckj n MET 504 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ckj n VAL 505 N -4.24 1.67 0.19 2.03 0.31 -1.26 0.28 118.33 117.31 2ckj n VAL 505 Ca -0.24 -0.39 -0.08 0.00 -0.01 0.00 0.00 64.34 63.63 2ckj n VAL 505 Cb 0.66 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 2ckj n VAL 505 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2ckj h ASP 506 N -0.40 -0.42 -0.57 4.52 5.19 -1.99 -1.93 116.42 120.82 2ckj h ASP 506 Ca -0.40 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.14 2ckj h ASP 506 Cb 1.72 0.11 -0.11 0.00 0.18 0.00 0.00 39.33 41.23 2ckj h ASP 506 CO -0.05 -0.23 -0.24 0.15 -3.12 0.00 0.00 179.24 175.75 2ckj h PHE 507 N -0.62 -0.61 -0.92 4.55 3.57 -1.91 0.09 116.94 121.09 2ckj h PHE 507 Ca -0.05 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.74 2ckj h PHE 507 Cb 0.38 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 2ckj h PHE 507 CO 0.09 -0.33 0.62 0.00 -2.23 0.00 0.00 178.31 176.46 2ckj h ARG 508 N -0.10 0.26 0.00 1.11 3.08 -0.14 -2.89 114.38 115.71 2ckj h ARG 508 Ca 0.26 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 2ckj h ARG 508 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2ckj h ARG 508 CO -0.64 0.17 -0.52 0.00 -1.07 0.00 0.00 179.97 177.92 2ckj h THR 510 N -1.00 0.00 0.04 0.00 2.02 -1.15 -1.15 112.91 111.67 2ckj h THR 510 Ca -0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2ckj h THR 510 Cb 0.68 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2ckj h THR 510 CO -0.06 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.74 2ckj h LEU 511 N 0.00 -0.05 -0.00 2.58 3.38 -1.54 -3.10 115.31 116.58 2ckj h LEU 511 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ckj h LEU 511 Cb 1.22 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ckj h LEU 511 CO 0.00 0.45 0.78 0.71 0.09 0.00 0.00 178.44 180.47 2ckj h THR 512 N -1.01 0.00 0.00 0.22 1.35 -1.02 -1.85 112.91 110.60 2ckj h THR 512 Ca -0.01 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.63 2ckj h THR 512 Cb 0.07 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.45 2ckj h THR 512 CO 0.01 0.00 -1.68 0.18 -0.25 0.00 0.00 175.52 173.78 2ckj n LEU 513 N -1.83 1.93 -0.07 3.87 4.77 -1.19 -4.26 117.00 120.23 2ckj n LEU 513 Ca -0.00 0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 2ckj n LEU 513 Cb 0.78 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2ckj n LEU 513 CO 0.00 0.13 0.87 0.28 -1.33 0.00 0.00 177.39 177.35 2ckj h SER 514 N -1.00 -0.06 -0.93 -1.43 0.02 -1.26 1.06 113.55 109.94 2ckj h SER 514 Ca -0.34 0.05 0.27 0.00 -0.84 0.00 0.00 61.79 60.93 2ckj h SER 514 Cb 1.26 0.09 -0.16 0.00 0.14 0.00 0.00 62.40 63.73 2ckj h SER 514 CO -0.21 0.00 0.17 -0.26 -1.14 0.00 0.00 176.83 175.39 2ckj h PHE 515 N 0.10 0.21 -0.23 3.45 0.05 -1.76 2.08 116.94 120.85 2ckj h PHE 515 Ca 0.12 0.06 -0.08 0.00 3.82 0.00 0.00 57.97 61.89 2ckj h PHE 515 Cb 0.15 0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 2ckj h PHE 515 CO -0.19 -0.34 -0.22 0.35 -0.18 0.00 0.00 178.31 177.73 2ckj h PHE 516 N 0.09 0.45 0.46 -0.55 3.57 0.94 -2.07 116.94 119.83 2ckj h PHE 516 Ca 0.60 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.99 2ckj h PHE 516 Cb 1.26 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2ckj h PHE 516 CO -0.34 0.61 -0.22 0.35 -2.23 0.00 0.00 178.31 176.48 2ckj h PHE 517 N 0.37 -0.57 -0.93 0.41 3.04 0.17 0.52 116.94 119.95 2ckj h PHE 517 Ca 0.06 -0.01 0.27 0.00 3.98 0.00 0.00 57.97 62.27 2ckj h PHE 517 Cb 0.60 0.19 -0.16 0.00 2.56 0.00 0.00 35.95 39.14 2ckj h PHE 517 CO 0.02 -0.25 0.25 0.87 -2.02 0.00 0.00 178.31 177.17 2ckj h LYS 518 N -1.02 0.14 0.44 1.11 1.57 0.29 0.03 116.57 119.13 2ckj h LYS 518 Ca -0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ckj h LYS 518 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2ckj h LYS 518 CO 0.10 0.09 -0.21 0.35 -0.57 0.00 0.00 179.45 179.22 2ckj h PHE 519 N 0.15 -0.54 -0.69 -1.35 3.57 -0.86 -2.06 116.94 115.15 2ckj h PHE 519 Ca 0.61 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.24 2ckj h PHE 519 Cb 1.32 0.18 -0.13 0.00 2.79 0.00 0.00 35.95 40.11 2ckj h PHE 519 CO -0.27 -0.23 -0.13 -0.92 -2.23 0.00 0.00 178.31 174.53 2ckj h TYR 520 N -0.83 -0.28 -0.28 0.41 -0.00 0.19 -1.30 116.97 114.88 2ckj h TYR 520 Ca -0.06 0.06 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 2ckj h TYR 520 Cb 0.56 0.23 -0.00 0.00 -0.00 0.00 0.00 36.73 37.52 2ckj h TYR 520 CO 0.00 -0.28 -0.26 -0.07 -0.00 0.00 0.00 178.16 177.56 2ckj h LEU 521 N 0.02 0.71 -0.91 2.82 3.38 -1.18 -2.57 115.31 117.58 2ckj h LEU 521 Ca 0.34 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ckj h LEU 521 Cb 0.55 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ckj h LEU 521 CO -0.69 1.02 0.00 0.71 0.09 0.00 0.00 178.44 179.58 2ckj h THR 522 N 0.40 0.00 0.00 0.22 1.35 -0.68 -1.12 112.91 113.08 2ckj h THR 522 Ca 0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2ckj h THR 522 Cb 0.82 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2ckj h THR 522 CO 0.06 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.85 2ckj n VAL 523 N -2.54 0.00 0.00 6.82 0.31 -0.56 -3.71 118.33 118.66 2ckj n VAL 523 Ca 0.02 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 2ckj n VAL 523 Cb 0.27 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2ckj n VAL 523 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ckj n LEU 524 N -1.94 0.00 0.25 7.52 4.77 -1.16 -2.17 117.00 124.28 2ckj n LEU 524 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ckj n LEU 524 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ckj n LEU 524 CO 0.00 0.00 0.80 1.67 -1.33 0.00 0.00 177.39 178.53 2ckj n GLN 525 N -0.69 0.02 -2.69 3.23 -0.06 -0.43 -0.10 117.38 116.67 2ckj n GLN 525 Ca 0.00 0.72 -0.27 0.00 -2.00 0.00 0.00 57.00 55.45 2ckj n GLN 525 Cb 0.00 -2.09 -0.02 0.00 -4.06 0.00 0.00 30.24 24.07 2ckj n GLN 525 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2ckj n LYS 526 N -2.05 3.36 0.00 3.69 0.00 -0.92 -4.93 118.16 117.31 2ckj n LYS 526 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 58.31 53.64 2ckj n LYS 526 Cb 0.80 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.58 2ckj n LYS 526 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 527 N -0.37 0.00 -4.58 3.14 4.32 0.85 -5.03 117.00 115.33 2ckj n LEU 527 Ca 0.36 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.93 2ckj n LEU 527 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 2ckj n LEU 527 CO 0.34 0.00 1.50 -0.83 -1.22 0.00 0.00 177.39 177.18 2ckj s GLY 528 N 0.00 0.61 -0.19 -0.72 0.00 -1.26 -4.98 107.32 100.78 2ckj s GLY 528 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.58 2ckj s GLY 528 CO 0.00 3.23 0.10 0.61 0.00 0.00 0.00 173.10 177.03 2ckj n GLN 529 N 8.69 0.68 0.00 2.90 0.00 -1.26 -4.84 117.38 123.55 2ckj n GLN 529 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.34 2ckj n GLN 529 Cb 0.49 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.14 2ckj n GLN 529 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ckj n GLU 530 N -3.09 0.00 0.00 2.61 4.71 -1.26 -4.09 120.64 119.52 2ckj n GLU 530 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 2ckj n GLU 530 Cb 1.07 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.50 2ckj n GLU 530 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2ckj n ASN 531 N 0.00 0.00 -0.16 1.62 6.94 -1.26 -3.93 115.26 118.47 2ckj n ASN 531 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2ckj n ASN 531 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 2ckj n ASN 531 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2ckj n LEU 532 N 0.22 -0.36 0.00 -4.53 7.94 -1.26 -4.36 117.00 114.65 2ckj n LEU 532 Ca 0.00 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 2ckj n LEU 532 Cb 0.00 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2ckj n LEU 532 CO 0.00 -0.59 0.00 1.21 -1.11 0.00 0.00 177.39 176.90 2ckj n GLU 533 N -4.52 1.38 0.00 1.96 0.00 -1.26 -5.06 120.64 113.14 2ckj n GLU 533 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2ckj n GLU 533 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 31.44 31.45 2ckj n GLU 533 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ckj n ASP 534 N 0.00 0.00 0.00 4.31 2.03 -1.25 -4.64 116.55 117.00 2ckj n ASP 534 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ckj n ASP 534 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ckj n ASP 534 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ckj n LYS 535 N 0.00 0.00 -2.32 -0.67 5.02 -1.26 -4.95 118.16 113.98 2ckj n LYS 535 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2ckj n LYS 535 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2ckj n LYS 535 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ckj n GLY 537 N -0.43 4.02 3.27 0.00 0.00 -1.26 -5.11 105.19 105.67 2ckj n GLY 537 Ca -0.18 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 2ckj n GLY 537 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckj s LYS 538 N -3.00 1.15 0.00 1.61 1.02 -1.26 -5.01 119.74 114.25 2ckj s LYS 538 Ca 0.41 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2ckj s LYS 538 Cb 0.36 -0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 2ckj s LYS 538 CO -0.09 -0.05 0.00 -0.11 -0.92 0.00 0.00 175.35 174.19 2ckj n LEU 539 N -0.27 0.00 0.00 3.17 -0.00 -1.26 -4.90 117.00 113.74 2ckj n LEU 539 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2ckj n LEU 539 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2ckj n LEU 539 CO 0.34 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 178.20 2ckj n ASP 540 N 0.00 0.00 -0.02 1.96 8.00 -1.26 -5.03 116.55 120.20 2ckj n ASP 540 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2ckj n ASP 540 Cb 0.00 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 2ckj n ASP 540 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ckj n PRO 541 N -1.47 0.15 0.00 -0.24 -0.05 -1.26 -5.24 135.00 126.90 2ckj n PRO 541 Ca 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 2ckj n PRO 541 Cb 0.00 -0.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.76 2ckj n PRO 541 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 2ckj n ASP 557 N -3.13 0.00 -3.85 3.54 4.64 -1.26 -5.31 116.55 111.18 2ckj n ASP 557 Ca -0.04 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.26 2ckj n ASP 557 Cb 0.14 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.12 2ckj n ASP 557 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2ckj s VAL 558 N 0.00 0.07 -0.14 5.18 1.01 -1.23 -4.96 120.40 120.32 2ckj s VAL 558 Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2ckj s VAL 558 Cb 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 36.02 2ckj s VAL 558 CO 0.00 -0.30 0.20 -1.10 0.00 0.00 0.00 175.10 173.90 2ckj s GLN 559 N -1.12 0.11 0.09 2.72 1.11 -1.26 -2.86 119.66 118.45 2ckj s GLN 559 Ca -0.12 0.42 0.04 0.00 0.01 0.00 0.00 55.36 55.71 2ckj s GLN 559 Cb -0.06 -0.69 -0.03 0.00 -1.01 0.00 0.00 33.01 31.22 2ckj s GLN 559 CO 0.02 -0.46 -0.12 -0.48 0.01 0.00 0.00 175.29 174.26 2ckj s LEU 560 N 2.32 2.36 0.00 2.90 0.05 -1.02 -4.92 118.68 120.37 2ckj s LEU 560 Ca 0.04 -0.75 0.00 0.00 0.05 0.00 0.00 54.13 53.48 2ckj s LEU 560 Cb -0.14 -0.38 0.00 0.00 -2.05 0.00 0.00 46.19 43.62 2ckj s LEU 560 CO -0.09 -0.19 0.00 2.22 -0.55 0.00 0.00 176.35 177.74 2ckj n PHE 561 N 0.79 -0.11 -4.87 3.48 -0.00 -1.26 -1.36 117.46 114.14 2ckj n PHE 561 Ca -0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.01 2ckj n PHE 561 Cb 0.56 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.89 2ckj n PHE 561 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2ckj s GLN 562 N -0.14 1.57 0.37 3.97 0.74 -1.26 -4.87 119.66 120.04 2ckj s GLN 562 Ca 0.00 -0.82 -0.24 0.00 0.05 0.00 0.00 55.36 54.35 2ckj s GLN 562 Cb 0.00 -1.58 -0.10 0.00 1.10 0.00 0.00 33.01 32.43 2ckj s GLN 562 CO 0.00 0.42 0.96 -2.00 -0.55 0.00 0.00 175.29 174.12 2ckj s GLU 563 N -0.75 4.40 0.33 1.67 2.56 -1.26 -5.04 118.70 120.61 2ckj s GLU 563 Ca 0.08 1.26 -0.27 0.00 0.00 0.00 0.00 54.97 56.04 2ckj s GLU 563 Cb -0.08 -2.53 -0.09 0.00 2.00 0.00 0.00 34.13 33.42 2ckj s GLU 563 CO 0.00 0.12 1.09 0.14 -0.56 0.00 0.00 175.26 176.05 2ckj s VAL 564 N -1.84 3.53 0.00 3.70 -7.23 -1.26 -4.93 120.40 112.37 2ckj s VAL 564 Ca 0.56 1.39 0.00 0.00 -1.81 0.00 0.00 61.98 62.11 2ckj s VAL 564 Cb -0.15 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.97 2ckj s VAL 564 CO 0.20 0.21 0.00 -2.65 -0.31 0.00 0.00 175.10 172.55 2ckj n PRO 565 N 0.65 0.00 -0.29 4.82 -0.02 -1.26 -4.86 135.00 134.04 2ckj n PRO 565 Ca 0.01 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2ckj n PRO 565 Cb 0.47 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.08 2ckj n PRO 565 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ckj n LYS 566 N 0.00 -0.07 0.08 -0.52 4.76 -1.26 -3.18 118.16 117.96 2ckj n LYS 566 Ca 0.00 1.27 -0.14 0.00 -2.87 0.00 0.00 58.31 56.57 2ckj n LYS 566 Cb 0.00 -1.92 -0.07 0.00 -1.84 0.00 0.00 35.03 31.20 2ckj n LYS 566 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2ckj h GLY 567 N 0.00 -0.82 -2.45 0.72 0.00 -2.04 -3.49 103.07 94.99 2ckj h GLY 567 Ca 0.41 0.52 -0.57 0.00 0.00 0.00 0.00 47.33 47.70 2ckj h GLY 567 CO -0.83 -0.25 0.30 0.61 0.00 0.00 0.00 176.54 176.36 2ckj n GLN 568 N -5.46 1.02 -1.68 4.80 10.64 -1.19 -4.93 117.38 120.59 2ckj n GLN 568 Ca -0.06 0.40 -0.35 0.00 -1.83 0.00 0.00 57.00 55.15 2ckj n GLN 568 Cb 0.38 -2.33 0.07 0.00 -0.86 0.00 0.00 30.24 27.50 2ckj n GLN 568 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2ckj s SER 569 N -1.28 4.62 0.39 2.61 0.15 -1.26 -4.91 113.70 114.01 2ckj s SER 569 Ca 0.78 2.40 0.11 0.00 0.70 0.00 0.00 55.95 59.95 2ckj s SER 569 Cb -0.40 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 62.23 2ckj s SER 569 CO 0.44 -1.98 1.92 -0.33 1.20 0.00 0.00 173.24 174.50 2ckj h GLU 570 N 0.23 0.54 -0.01 5.44 4.39 -2.00 -3.08 114.58 120.09 2ckj h GLU 570 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2ckj h GLU 570 Cb 1.30 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2ckj h GLU 570 CO 0.52 0.36 -0.59 -0.85 -1.16 0.00 0.00 179.01 177.29 2ckj n GLU 571 N -4.50 1.00 -2.27 2.33 0.28 -1.26 -4.74 120.64 111.49 2ckj n GLU 571 Ca 0.14 -0.75 -0.43 0.00 -0.16 0.00 0.00 57.16 55.96 2ckj n GLU 571 Cb 0.42 -1.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.81 2ckj n GLU 571 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ckj s ASP 572 N -2.55 6.58 -0.01 -1.84 2.15 -1.17 -4.47 116.67 115.38 2ckj s ASP 572 Ca 0.15 1.51 0.18 0.00 0.43 0.00 0.00 52.55 54.82 2ckj s ASP 572 Cb 0.17 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 40.03 2ckj s ASP 572 CO 0.63 -1.11 0.68 0.23 -0.17 0.00 0.00 175.17 175.43 2ckj n MET 573 N 7.36 0.86 -1.71 4.34 2.81 -1.26 -4.72 117.12 124.80 2ckj n MET 573 Ca 0.16 -0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.58 2ckj n MET 573 Cb 0.46 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 2ckj n MET 573 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ckj n VAL 574 N -1.62 1.10 0.00 2.03 0.31 -1.26 -1.82 118.33 117.07 2ckj n VAL 574 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2ckj n VAL 574 Cb 0.34 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2ckj n VAL 574 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 575 N 2.00 2.89 3.88 2.92 0.00 -0.33 -5.00 105.19 111.55 2ckj n GLY 575 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2ckj n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 576 N -0.36 3.74 -1.52 1.61 0.52 -0.75 -4.59 118.95 117.59 2ckj s ARG 576 Ca 0.00 0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.40 2ckj s ARG 576 Cb 0.00 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 2ckj s ARG 576 CO 0.00 0.08 2.58 -0.35 0.02 0.00 0.00 175.30 177.64 2ckj n PRO 577 N -1.05 3.46 -3.15 3.54 -0.04 -1.26 -4.42 135.00 132.07 2ckj n PRO 577 Ca 0.01 -2.53 -0.40 0.00 -0.04 0.00 0.00 63.50 60.53 2ckj n PRO 577 Cb 0.54 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 2ckj n PRO 577 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ckj s LEU 578 N 0.70 4.12 0.52 1.53 2.96 -1.26 -4.82 118.68 122.43 2ckj s LEU 578 Ca 0.58 0.75 -0.23 0.00 -0.22 0.00 0.00 54.13 55.02 2ckj s LEU 578 Cb 0.16 -2.83 -0.06 0.00 0.50 0.00 0.00 46.19 43.96 2ckj s LEU 578 CO -0.07 -0.27 1.34 -0.81 -1.32 0.00 0.00 176.35 175.22 2ckj n PRO 579 N 5.13 1.77 -0.67 0.98 -0.04 -1.26 -4.80 135.00 136.10 2ckj n PRO 579 Ca -0.02 0.64 -0.25 0.00 -0.04 0.00 0.00 63.50 63.83 2ckj n PRO 579 Cb 0.50 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.36 2ckj n PRO 579 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ckj n HIS 580 N -0.84 0.43 -0.19 0.54 -0.00 -1.26 -4.76 115.22 109.14 2ckj n HIS 580 Ca 0.09 0.28 0.15 0.00 0.46 0.00 0.00 57.72 58.70 2ckj n HIS 580 Cb 0.44 -1.14 0.23 0.00 -0.12 0.00 0.00 29.99 29.39 2ckj n HIS 580 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2ckj n LEU 581 N 4.39 0.00 -0.32 0.27 4.77 -1.26 -0.99 117.00 123.86 2ckj n LEU 581 Ca 0.30 0.28 0.03 0.00 -0.03 0.00 0.00 56.01 56.58 2ckj n LEU 581 Cb -0.00 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2ckj n LEU 581 CO 0.45 -0.28 0.52 0.00 -1.33 0.00 0.00 177.39 176.75 2ckj n ALA 582 N -2.21 2.19 0.21 -1.18 0.00 -1.26 -4.78 120.51 113.47 2ckj n ALA 582 Ca 0.12 -0.95 0.07 0.00 0.00 0.00 0.00 53.44 52.67 2ckj n ALA 582 Cb 0.56 -0.23 0.48 0.00 0.00 0.00 0.00 19.45 20.27 2ckj n ALA 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 583 N 1.11 1.30 0.49 0.00 0.00 -1.40 -0.09 119.26 120.67 2ckj h ALA 583 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ckj h ALA 583 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ckj h ALA 583 CO 0.00 0.34 -0.23 -0.44 0.00 0.00 0.00 179.25 178.92 2ckj h ASP 584 N 0.00 -0.55 -0.83 0.00 3.32 -1.86 -1.22 116.42 115.27 2ckj h ASP 584 Ca -0.00 -0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.20 2ckj h ASP 584 Cb 0.57 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 2ckj h ASP 584 CO 0.04 -0.14 0.56 0.24 -1.72 0.00 0.00 179.24 178.22 2ckj h MET 585 N -1.12 0.36 -0.89 3.56 2.86 -1.86 0.60 114.93 118.44 2ckj h MET 585 Ca -0.07 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2ckj h MET 585 Cb 0.55 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2ckj h MET 585 CO 0.11 0.24 0.55 1.96 1.06 0.00 0.00 176.91 180.82 2ckj h GLN 586 N 0.37 0.94 -0.00 1.72 4.20 -0.84 -1.83 115.11 119.65 2ckj h GLN 586 Ca 0.42 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.08 2ckj h GLN 586 Cb 1.08 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2ckj h GLN 586 CO -0.14 0.62 -0.32 0.00 -0.67 0.00 0.00 178.83 178.32 2ckj n ALA 587 N -2.36 3.15 -0.00 3.87 0.00 0.17 -3.66 120.51 121.69 2ckj n ALA 587 Ca 0.14 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2ckj n ALA 587 Cb 0.22 -1.22 0.14 0.00 0.00 0.00 0.00 19.45 18.58 2ckj n ALA 587 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 588 N -1.35 2.77 0.00 0.00 3.41 0.83 -4.79 113.62 114.49 2ckj n SER 588 Ca 0.08 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 2ckj n SER 588 Cb 0.33 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2ckj n SER 588 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 589 N 0.65 2.73 0.06 5.00 0.00 -1.16 -4.61 105.19 107.87 2ckj n GLY 589 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2ckj n GLY 589 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ckj h GLU 590 N 0.00 0.00 -4.68 1.61 4.11 -1.74 -3.43 114.58 110.46 2ckj h GLU 590 Ca 0.00 -0.01 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2ckj h GLU 590 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2ckj h GLU 590 CO 0.00 0.91 1.42 0.00 0.07 0.00 0.00 179.01 181.41 2ckj n ALA 591 N -2.39 0.23 -1.94 1.06 0.00 -0.73 -4.88 120.51 111.86 2ckj n ALA 591 Ca -0.03 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 2ckj n ALA 591 Cb 0.96 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2ckj n ALA 591 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ckj s VAL 592 N 7.06 2.91 0.00 0.00 1.01 -1.26 -4.90 120.40 125.21 2ckj s VAL 592 Ca 1.15 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2ckj s VAL 592 Cb -1.18 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2ckj s VAL 592 CO 0.48 0.12 0.00 -1.22 0.00 0.00 0.00 175.10 174.48 2ckj n TYR 593 N 2.49 0.00 0.03 5.22 4.01 -1.26 -4.86 117.16 122.79 2ckj n TYR 593 Ca 0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2ckj n TYR 593 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.44 2ckj n TYR 593 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ckj n ASP 595 N -3.30 0.00 -0.00 0.00 2.03 -1.26 -2.35 116.55 111.67 2ckj n ASP 595 Ca -0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2ckj n ASP 595 Cb 0.01 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 2ckj n ASP 595 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ckj n ASP 596 N 0.54 3.78 -4.71 1.67 9.92 -1.26 -4.91 116.55 121.58 2ckj n ASP 596 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 2ckj n ASP 596 Cb 0.00 1.20 -0.03 0.00 -0.64 0.00 0.00 41.12 41.65 2ckj n ASP 596 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ckj s ILE 597 N -2.35 3.34 -0.06 0.53 1.01 -0.99 -4.88 121.20 117.79 2ckj s ILE 597 Ca -0.02 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.50 2ckj s ILE 597 Cb 0.03 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2ckj s ILE 597 CO 0.22 0.06 0.23 -2.65 0.00 0.00 0.00 174.94 172.81 2ckj n PRO 598 N 4.12 0.00 -2.66 2.79 -0.02 -1.26 -4.97 135.00 132.99 2ckj n PRO 598 Ca 0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 2ckj n PRO 598 Cb 0.42 -0.23 -0.05 0.00 -0.02 0.00 0.00 33.50 33.62 2ckj n PRO 598 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ckj s ARG 599 N 0.37 4.76 0.84 -0.52 3.00 -1.26 -5.02 118.95 121.11 2ckj s ARG 599 Ca 0.16 1.58 -0.08 0.00 -1.00 0.00 0.00 55.73 56.39 2ckj s ARG 599 Cb -0.23 -3.20 0.16 0.00 0.00 0.00 0.00 34.95 31.68 2ckj s ARG 599 CO 0.12 0.39 1.15 0.71 0.00 0.00 0.00 175.30 177.68 2ckj s TYR 600 N -1.21 1.58 -1.40 5.12 1.51 -1.26 -4.96 117.35 116.73 2ckj s TYR 600 Ca 0.43 0.00 0.29 0.00 -1.01 0.00 0.00 57.07 56.78 2ckj s TYR 600 Cb -0.27 -3.53 1.20 0.00 -0.11 0.00 0.00 41.96 39.25 2ckj s TYR 600 CO 0.34 -2.16 1.86 -0.85 -1.11 0.00 0.00 175.55 173.63 2ckj n GLU 601 N -3.28 0.42 -0.63 -0.62 0.28 -1.26 -3.01 120.64 112.54 2ckj n GLU 601 Ca 0.15 -0.12 0.04 0.00 -0.16 0.00 0.00 57.16 57.07 2ckj n GLU 601 Cb 0.60 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.18 2ckj n GLU 601 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2ckj n ASN 602 N -1.19 1.91 -4.72 -1.84 6.94 -1.26 -5.09 115.26 110.01 2ckj n ASN 602 Ca 0.12 -3.85 -0.39 0.00 -0.02 0.00 0.00 54.58 50.44 2ckj n ASN 602 Cb 0.29 -0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 37.11 2ckj n ASN 602 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ckj s GLU 603 N -3.23 4.40 0.30 -3.83 2.12 -1.16 -4.60 118.70 112.69 2ckj s GLU 603 Ca 0.39 0.74 -0.02 0.00 0.36 0.00 0.00 54.97 56.44 2ckj s GLU 603 Cb 0.38 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2ckj s GLU 603 CO -0.05 0.12 0.52 -0.51 -0.54 0.00 0.00 175.26 174.80 2ckj s LEU 604 N 0.66 4.06 -0.17 2.70 1.43 -0.07 -4.94 118.68 122.36 2ckj s LEU 604 Ca 0.33 0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 53.89 2ckj s LEU 604 Cb -0.17 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2ckj s LEU 604 CO 0.16 -0.22 0.10 -0.44 0.23 0.00 0.00 176.35 176.18 2ckj s SER 605 N -3.58 5.95 0.45 2.29 0.01 -0.63 -1.02 113.70 117.17 2ckj s SER 605 Ca 0.41 0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.95 2ckj s SER 605 Cb -0.10 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.20 2ckj s SER 605 CO 0.33 0.24 0.50 -0.11 0.41 0.00 0.00 173.24 174.61 2ckj n LEU 606 N 3.08 0.00 0.00 2.44 0.00 -0.73 -1.00 117.00 120.79 2ckj n LEU 606 Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 56.01 53.74 2ckj n LEU 606 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 43.42 43.75 2ckj n LEU 606 CO 0.34 -0.60 0.00 -1.14 0.00 0.00 0.00 177.39 175.99 2ckj n ARG 607 N -1.78 0.00 -4.30 1.96 0.63 -1.22 -4.83 116.66 107.12 2ckj n ARG 607 Ca 0.07 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.78 2ckj n ARG 607 Cb 0.48 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.28 2ckj n ARG 607 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ckj s LEU 608 N 0.00 2.40 -0.17 6.15 2.34 -1.26 -0.53 118.68 127.60 2ckj s LEU 608 Ca 0.00 -0.80 -0.01 0.00 0.06 0.00 0.00 54.13 53.38 2ckj s LEU 608 Cb 0.00 -0.76 -0.00 0.00 -0.56 0.00 0.00 46.19 44.87 2ckj s LEU 608 CO 0.00 -0.04 -0.14 -0.69 -1.06 0.00 0.00 176.35 174.42 2ckj s VAL 609 N -1.86 2.73 0.00 1.48 1.01 -0.53 -4.97 120.40 118.27 2ckj s VAL 609 Ca 0.12 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2ckj s VAL 609 Cb -0.07 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 2ckj s VAL 609 CO 0.05 0.50 -0.03 0.42 0.00 0.00 0.00 175.10 176.04 2ckj s THR 610 N 1.00 0.21 0.21 3.92 -4.23 -1.26 -1.67 115.64 113.82 2ckj s THR 610 Ca -0.02 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.96 2ckj s THR 610 Cb -0.15 -0.20 -0.16 0.00 1.34 0.00 0.00 72.50 73.33 2ckj s THR 610 CO -0.03 -0.01 0.96 -0.24 -0.54 0.00 0.00 174.62 174.76 2ckj n SER 611 N 2.82 0.66 -0.38 3.99 2.88 -0.55 -4.87 113.62 118.17 2ckj n SER 611 Ca -0.14 1.15 0.04 0.00 -1.33 0.00 0.00 58.87 58.59 2ckj n SER 611 Cb 0.59 -1.16 0.07 0.00 -0.75 0.00 0.00 64.21 62.96 2ckj n SER 611 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ckj n THR 612 N 0.72 0.58 -4.54 2.46 -2.24 -1.26 -3.80 114.28 106.20 2ckj n THR 612 Ca 0.14 -0.79 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 2ckj n THR 612 Cb 0.26 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 2ckj n THR 612 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 613 N -0.85 1.80 0.04 -0.78 1.81 -1.26 -5.07 118.95 114.65 2ckj s ARG 613 Ca 0.13 -1.98 -0.10 0.00 -1.72 0.00 0.00 55.73 52.05 2ckj s ARG 613 Cb 0.07 -1.44 -0.32 0.00 -0.45 0.00 0.00 34.95 32.81 2ckj s ARG 613 CO 0.10 -0.01 1.02 0.00 -0.68 0.00 0.00 175.30 175.72 2ckj h ALA 614 N 1.97 -0.02 -2.13 2.13 0.00 -1.81 -3.32 119.26 116.10 2ckj h ALA 614 Ca -0.42 -0.91 0.04 0.00 0.00 0.00 0.00 54.91 53.61 2ckj h ALA 614 Cb 1.24 0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.96 2ckj h ALA 614 CO 0.74 0.85 -0.19 -1.58 0.00 0.00 0.00 179.25 179.08 2ckj s HIS 615 N -2.62 -1.21 -0.05 0.00 5.65 -1.26 -2.97 115.29 112.83 2ckj s HIS 615 Ca -0.08 2.14 -0.30 0.00 0.25 0.00 0.00 55.06 57.07 2ckj s HIS 615 Cb 0.05 0.68 0.11 0.00 -1.18 0.00 0.00 32.58 32.25 2ckj s HIS 615 CO 0.91 -0.62 0.98 0.00 -0.65 0.00 0.00 174.74 175.36 2ckj s ALA 616 N 2.81 -1.89 0.53 1.58 0.00 -1.02 -2.77 121.76 121.00 2ckj s ALA 616 Ca -0.05 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2ckj s ALA 616 Cb -0.12 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2ckj s ALA 616 CO -0.17 -0.67 0.80 0.21 0.00 0.00 0.00 175.76 175.92 2ckj s LYS 617 N -2.92 2.92 -0.27 0.00 2.20 0.96 -0.95 119.74 121.68 2ckj s LYS 617 Ca 0.06 -0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2ckj s LYS 617 Cb -0.01 -2.40 0.08 0.00 -1.51 0.00 0.00 37.83 33.99 2ckj s LYS 617 CO -0.07 -0.55 0.03 -1.50 -0.36 0.00 0.00 175.35 172.90 2ckj s ILE 618 N -2.81 1.18 -0.05 5.43 2.07 -1.06 -2.58 121.20 123.38 2ckj s ILE 618 Ca 0.52 -1.29 -0.14 0.00 -1.41 0.00 0.00 60.65 58.34 2ckj s ILE 618 Cb -0.10 -1.70 -0.31 0.00 0.13 0.00 0.00 42.46 40.48 2ckj s ILE 618 CO 0.42 -0.39 0.71 0.11 -1.91 0.00 0.00 174.94 173.87 2ckj h LYS 619 N 8.02 0.38 -1.33 3.50 1.79 0.06 -3.47 116.57 125.53 2ckj h LYS 619 Ca -0.14 -0.65 0.33 0.00 -2.18 0.00 0.00 60.65 58.01 2ckj h LYS 619 Cb 1.05 0.24 -0.14 0.00 -1.58 0.00 0.00 32.23 31.80 2ckj h LYS 619 CO 0.43 1.31 0.87 -1.54 -1.08 0.00 0.00 179.45 179.44 2ckj s SER 620 N -7.26 -0.05 -0.13 0.86 1.04 -1.20 -4.99 113.70 101.96 2ckj s SER 620 Ca -0.16 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.22 2ckj s SER 620 Cb 0.05 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2ckj s SER 620 CO 0.85 -0.21 -0.21 -0.63 0.98 0.00 0.00 173.24 174.02 2ckj s ILE 621 N -2.31 2.19 -0.27 -1.02 1.01 -1.26 -0.61 121.20 118.94 2ckj s ILE 621 Ca 0.13 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2ckj s ILE 621 Cb 0.04 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.70 2ckj s ILE 621 CO -0.05 0.55 -0.07 -0.62 0.00 0.00 0.00 174.94 174.75 2ckj s ASP 622 N 0.65 4.37 0.12 3.58 2.15 -0.43 -5.00 116.67 122.11 2ckj s ASP 622 Ca -0.11 -1.46 0.25 0.00 0.43 0.00 0.00 52.55 51.67 2ckj s ASP 622 Cb -0.16 -1.48 0.61 0.00 -0.30 0.00 0.00 42.92 41.59 2ckj s ASP 622 CO 0.02 -0.23 1.54 1.07 -0.17 0.00 0.00 175.17 177.41 2ckj n THR 623 N 4.46 0.35 -0.08 1.71 5.66 -1.26 -1.81 114.28 123.31 2ckj n THR 623 Ca -0.11 -0.21 -0.10 0.00 -3.05 0.00 0.00 64.05 60.57 2ckj n THR 623 Cb 0.42 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.90 2ckj n THR 623 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2ckj h SER 624 N 0.00 0.35 0.12 1.09 4.64 -1.95 -2.36 113.55 115.45 2ckj h SER 624 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2ckj h SER 624 Cb 0.69 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2ckj h SER 624 CO 0.00 0.40 0.00 1.21 -0.87 0.00 0.00 176.83 177.57 2ckj n GLU 625 N -4.79 0.15 -0.09 4.77 4.07 -1.26 -3.38 120.64 120.12 2ckj n GLU 625 Ca -0.03 0.61 -0.20 0.00 -0.06 0.00 0.00 57.16 57.49 2ckj n GLU 625 Cb 0.12 -1.96 -0.12 0.00 -0.06 0.00 0.00 31.44 29.41 2ckj n GLU 625 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ckj n ALA 626 N -1.79 1.26 0.07 4.31 0.00 -0.89 -3.85 120.51 119.62 2ckj n ALA 626 Ca -0.01 -0.95 0.04 0.00 0.00 0.00 0.00 53.44 52.51 2ckj n ALA 626 Cb 0.07 -0.26 0.19 0.00 0.00 0.00 0.00 19.45 19.45 2ckj n ALA 626 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ckj n LYS 627 N -3.40 0.05 0.23 0.00 5.02 -1.20 -1.19 118.16 117.65 2ckj n LYS 627 Ca -0.42 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 2ckj n LYS 627 Cb 0.99 -1.76 0.43 0.00 -0.02 0.00 0.00 35.03 34.67 2ckj n LYS 627 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ckj h LYS 628 N 0.00 0.00 -6.63 1.97 1.57 -1.67 -3.46 116.57 108.35 2ckj h LYS 628 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2ckj h LYS 628 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ckj h LYS 628 CO 0.00 0.17 0.42 0.08 -0.57 0.00 0.00 179.45 179.56 2ckj s VAL 629 N -3.53 4.12 0.14 0.50 1.01 -0.34 -4.98 120.40 117.32 2ckj s VAL 629 Ca 0.02 1.82 -0.34 0.00 0.00 0.00 0.00 61.98 63.48 2ckj s VAL 629 Cb 0.09 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 2ckj s VAL 629 CO 0.63 0.31 1.61 -2.65 0.00 0.00 0.00 175.10 175.00 2ckj n PRO 630 N 2.44 2.16 -0.36 2.72 -0.02 -1.26 -2.79 135.00 137.90 2ckj n PRO 630 Ca 0.02 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2ckj n PRO 630 Cb 0.47 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2ckj n PRO 630 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckj n GLY 631 N 3.51 2.06 3.76 -1.23 0.00 -1.26 -4.91 105.19 107.13 2ckj n GLY 631 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 631 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 632 N -2.00 2.70 -0.01 1.61 7.35 -1.12 -3.26 117.46 122.74 2ckj n PHE 632 Ca 0.00 0.45 -0.02 0.00 -0.76 0.00 0.00 57.45 57.12 2ckj n PHE 632 Cb 0.00 -2.47 -0.01 0.00 0.35 0.00 0.00 39.48 37.35 2ckj n PHE 632 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2ckj n VAL 633 N -0.06 0.11 -3.63 -2.13 0.31 -0.39 -5.00 118.33 107.54 2ckj n VAL 633 Ca 0.04 -0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 2ckj n VAL 633 Cb 0.40 -0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 2ckj n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s PHE 635 N -0.44 3.22 0.21 0.00 5.36 -1.26 0.02 117.98 125.07 2ckj s PHE 635 Ca 0.06 -0.36 -0.30 0.00 -0.96 0.00 0.00 56.93 55.37 2ckj s PHE 635 Cb -0.03 -2.65 -0.08 0.00 -0.34 0.00 0.00 43.02 39.92 2ckj s PHE 635 CO -0.09 -0.54 0.97 -1.50 -1.46 0.00 0.00 175.22 172.60 2ckj s ILE 636 N 1.86 4.12 0.36 3.12 1.10 -0.03 -4.94 121.20 126.78 2ckj s ILE 636 Ca 0.08 2.00 -0.03 0.00 -0.51 0.00 0.00 60.65 62.19 2ckj s ILE 636 Cb -0.18 -4.28 0.01 0.00 0.15 0.00 0.00 42.46 38.17 2ckj s ILE 636 CO 0.11 0.43 0.52 -0.94 -2.11 0.00 0.00 174.94 172.95 2ckj s SER 637 N -0.77 0.93 0.15 4.50 1.04 -1.26 -1.92 113.70 116.36 2ckj s SER 637 Ca 0.43 -1.50 0.12 0.00 0.48 0.00 0.00 55.95 55.48 2ckj s SER 637 Cb -0.26 0.70 0.60 0.00 0.10 0.00 0.00 66.02 67.16 2ckj s SER 637 CO 0.32 -1.37 1.37 0.00 0.98 0.00 0.00 173.24 174.54 2ckj n ALA 638 N -0.59 1.15 1.76 5.32 0.00 -1.26 -1.36 120.51 125.53 2ckj n ALA 638 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.61 2ckj n ALA 638 Cb 0.61 -1.18 0.44 0.00 0.00 0.00 0.00 19.45 19.32 2ckj n ALA 638 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ckj n ASP 639 N -1.86 0.51 -0.02 0.00 10.43 -1.26 -3.71 116.55 120.64 2ckj n ASP 639 Ca 0.00 -1.57 0.01 0.00 2.57 0.00 0.00 54.79 55.80 2ckj n ASP 639 Cb 0.05 -0.04 -0.07 0.00 1.84 0.00 0.00 41.12 42.91 2ckj n ASP 639 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2ckj n ASP 640 N -0.42 2.95 -4.71 -2.24 8.00 -0.47 -4.94 116.55 114.72 2ckj n ASP 640 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 2ckj n ASP 640 Cb 0.14 1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 42.34 2ckj n ASP 640 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckj s VAL 641 N -2.46 3.28 -1.08 2.53 0.11 -1.24 -4.89 120.40 116.64 2ckj s VAL 641 Ca -0.04 0.89 0.14 0.00 -2.93 0.00 0.00 61.98 60.04 2ckj s VAL 641 Cb 0.04 -3.57 0.59 0.00 -1.53 0.00 0.00 36.38 31.91 2ckj s VAL 641 CO 0.36 0.06 1.46 -0.81 -3.33 0.00 0.00 175.10 172.84 2ckj n PRO 642 N 4.17 3.34 0.00 1.54 -0.04 -1.26 -4.77 135.00 137.99 2ckj n PRO 642 Ca 0.12 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2ckj n PRO 642 Cb 0.42 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2ckj n PRO 642 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ckj n GLY 643 N 0.88 0.55 3.61 0.55 0.00 -0.91 -4.73 105.19 105.14 2ckj n GLY 643 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 2ckj n GLY 643 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 644 N 1.00 -1.06 0.00 1.61 0.15 -1.03 -4.87 113.70 109.50 2ckj s SER 644 Ca 0.00 1.45 0.09 0.00 0.70 0.00 0.00 55.95 58.19 2ckj s SER 644 Cb 0.00 2.20 0.29 0.00 -1.71 0.00 0.00 66.02 66.80 2ckj s SER 644 CO 0.00 -0.20 1.23 -3.20 1.20 0.00 0.00 173.24 172.26 2ckj n ASN 645 N 5.36 1.20 -4.08 5.45 5.15 -1.26 -4.37 115.26 122.71 2ckj n ASN 645 Ca -0.12 -1.95 -0.33 0.00 -0.60 0.00 0.00 54.58 51.59 2ckj n ASN 645 Cb 0.50 -0.14 -0.14 0.00 -0.53 0.00 0.00 39.78 39.46 2ckj n ASN 645 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2ckj s ILE 646 N -1.72 2.44 0.00 -1.44 2.07 -1.26 -1.71 121.20 119.59 2ckj s ILE 646 Ca 0.17 -1.83 0.00 0.00 -1.41 0.00 0.00 60.65 57.59 2ckj s ILE 646 Cb 0.09 -2.56 0.00 0.00 0.13 0.00 0.00 42.46 40.12 2ckj s ILE 646 CO 0.12 -0.26 0.00 1.07 -1.91 0.00 0.00 174.94 173.96 2ckj n THR 647 N 4.43 0.00 -0.28 4.00 5.66 0.26 -4.99 114.28 123.36 2ckj n THR 647 Ca -0.08 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2ckj n THR 647 Cb 0.42 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.19 2ckj n THR 647 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ckj n GLY 648 N 5.00 -2.07 0.01 1.09 0.00 -1.26 -3.61 105.19 104.35 2ckj n GLY 648 Ca 0.00 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.69 2ckj n GLY 648 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ckj n ILE 649 N -2.83 0.00 -2.04 -0.61 3.06 -1.26 -3.14 119.36 112.55 2ckj n ILE 649 Ca -0.01 -0.38 -0.30 0.00 -2.50 0.00 0.00 62.75 59.56 2ckj n ILE 649 Cb 0.13 0.19 0.03 0.00 0.54 0.00 0.00 39.64 40.53 2ckj n ILE 649 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ckj n ASN 651 N -0.64 -2.32 -0.26 0.00 5.03 -1.19 -4.80 115.26 111.09 2ckj n ASN 651 Ca 0.47 0.11 -0.06 0.00 0.87 0.00 0.00 54.58 55.97 2ckj n ASN 651 Cb 0.69 -2.01 0.05 0.00 -1.02 0.00 0.00 39.78 37.49 2ckj n ASN 651 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2ckj h ASP 652 N 0.00 0.95 -1.37 6.41 3.32 -1.86 -3.45 116.42 120.42 2ckj h ASP 652 Ca -0.09 -0.15 -0.50 0.00 0.02 0.00 0.00 57.03 56.31 2ckj h ASP 652 Cb 0.48 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2ckj h ASP 652 CO 0.14 0.83 -0.34 -1.83 -1.72 0.00 0.00 179.24 176.32 2ckj s GLU 653 N -5.64 2.51 -0.24 3.56 -1.05 -1.24 -4.99 118.70 111.62 2ckj s GLU 653 Ca -0.13 -1.57 -0.08 0.00 -0.15 0.00 0.00 54.97 53.05 2ckj s GLU 653 Cb 0.14 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2ckj s GLU 653 CO 0.81 -0.29 0.08 0.95 0.95 0.00 0.00 175.26 177.77 2ckj s THR 654 N -2.51 4.53 0.15 1.83 -4.23 -1.26 -0.58 115.64 113.57 2ckj s THR 654 Ca 0.48 -0.10 -0.31 0.00 -1.18 0.00 0.00 61.69 60.58 2ckj s THR 654 Cb -0.04 -3.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 2ckj s THR 654 CO 0.28 0.35 1.55 0.58 -0.54 0.00 0.00 174.62 176.84 2ckj h VAL 655 N 5.40 0.02 -3.31 2.29 2.07 -1.68 -3.39 116.25 117.65 2ckj h VAL 655 Ca -0.37 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.60 2ckj h VAL 655 Cb 1.18 0.02 -0.35 0.00 -1.52 0.00 0.00 31.29 30.62 2ckj h VAL 655 CO 0.59 0.00 -0.82 -0.36 0.02 0.00 0.00 177.57 177.00 2ckj s PHE 656 N -5.65 1.68 0.22 1.57 2.99 -1.26 -4.88 117.98 112.64 2ckj s PHE 656 Ca -0.14 -0.74 -0.27 0.00 0.00 0.00 0.00 56.93 55.78 2ckj s PHE 656 Cb 0.10 -1.25 -0.17 0.00 0.00 0.00 0.00 43.02 41.70 2ckj s PHE 656 CO 0.63 -0.41 0.48 0.00 -0.00 0.00 0.00 175.22 175.92 2ckj n ALA 657 N 4.21 -2.89 -3.35 5.36 0.00 -0.70 -4.63 120.51 118.51 2ckj n ALA 657 Ca -0.19 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 2ckj n ALA 657 Cb 0.51 -1.60 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 2ckj n ALA 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 658 N -1.00 3.18 0.00 0.00 2.20 -1.26 -4.51 119.74 118.35 2ckj s LYS 658 Ca 0.64 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2ckj s LYS 658 Cb -0.91 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2ckj s LYS 658 CO 0.56 0.09 0.00 -0.25 -0.36 0.00 0.00 175.35 175.40 2ckj n ASP 659 N 3.82 0.00 -3.84 1.43 8.00 -1.26 -4.85 116.55 119.85 2ckj n ASP 659 Ca -0.19 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 2ckj n ASP 659 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 2ckj n ASP 659 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ckj s LYS 660 N 0.00 0.56 -0.07 -1.24 -2.85 -1.26 -2.57 119.74 112.31 2ckj s LYS 660 Ca 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 55.97 54.59 2ckj s LYS 660 Cb 0.00 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 2ckj s LYS 660 CO 0.00 -0.14 -0.01 0.14 0.10 0.00 0.00 175.35 175.44 2ckj s VAL 661 N -1.49 4.16 -0.07 1.79 -7.23 -0.13 -4.92 120.40 112.52 2ckj s VAL 661 Ca -0.14 -0.35 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 2ckj s VAL 661 Cb -0.06 -2.76 -0.13 0.00 0.56 0.00 0.00 36.38 33.99 2ckj s VAL 661 CO 0.02 0.57 0.09 0.35 -0.31 0.00 0.00 175.10 175.82 2ckj n THR 662 N 2.04 0.46 -4.34 5.32 -2.24 -1.26 -2.44 114.28 111.81 2ckj n THR 662 Ca -0.18 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.08 2ckj n THR 662 Cb 0.53 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 2ckj n THR 662 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n VAL 664 N -0.60 3.57 0.00 0.00 0.31 -1.25 -4.45 118.33 115.90 2ckj n VAL 664 Ca -0.06 -2.65 0.00 0.00 -0.01 0.00 0.00 64.34 61.62 2ckj n VAL 664 Cb 0.37 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 2ckj n VAL 664 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 665 N 1.76 0.71 0.55 2.92 0.00 -1.25 -4.87 105.19 105.00 2ckj n GLY 665 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2ckj n GLY 665 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ckj n HIS 666 N 0.00 0.00 -2.24 1.61 -0.00 -1.26 -4.15 115.22 109.17 2ckj n HIS 666 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2ckj n HIS 666 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 29.78 2ckj n HIS 666 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ckj s ILE 667 N -0.12 3.89 -0.04 3.57 1.01 -1.26 -1.48 121.20 126.76 2ckj s ILE 667 Ca 0.00 1.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.76 2ckj s ILE 667 Cb 0.00 -3.75 -0.28 0.00 0.01 0.00 0.00 42.46 38.44 2ckj s ILE 667 CO 0.00 -0.06 0.68 0.40 0.00 0.00 0.00 174.94 175.96 2ckj h ILE 668 N 5.28 0.94 0.00 2.92 2.04 -1.67 -1.86 117.51 125.16 2ckj h ILE 668 Ca -0.34 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 62.91 2ckj h ILE 668 Cb 1.15 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 2ckj h ILE 668 CO 0.94 0.82 0.00 0.61 0.00 0.00 0.00 178.15 180.51 2ckj n GLY 669 N 1.79 -1.26 3.18 5.37 0.00 -1.17 -4.19 105.19 108.91 2ckj n GLY 669 Ca -0.22 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2ckj n GLY 669 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj s ALA 670 N -1.00 1.17 0.10 4.61 0.00 -0.81 -1.46 121.76 124.38 2ckj s ALA 670 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.82 2ckj s ALA 670 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2ckj s ALA 670 CO 0.00 0.00 0.02 0.14 0.00 0.00 0.00 175.76 175.92 2ckj s VAL 671 N -2.27 4.10 -0.21 0.00 -7.23 0.31 -0.85 120.40 114.24 2ckj s VAL 671 Ca 0.05 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2ckj s VAL 671 Cb -0.04 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 33.97 2ckj s VAL 671 CO 0.01 0.10 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.06 2ckj s VAL 672 N -1.36 2.02 0.00 1.32 1.01 0.10 -3.42 120.40 120.08 2ckj s VAL 672 Ca 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ckj s VAL 672 Cb -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2ckj s VAL 672 CO 0.19 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2ckj n ALA 673 N 4.56 0.00 0.05 5.51 0.00 -0.17 -1.26 120.51 129.20 2ckj n ALA 673 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 2ckj n ALA 673 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 2ckj n ALA 673 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2ckj h ASP 674 N 0.00 0.00 -3.30 0.00 -0.00 -1.84 -1.67 116.42 109.61 2ckj h ASP 674 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.56 2ckj h ASP 674 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 39.18 2ckj h ASP 674 CO 0.00 0.49 -0.75 0.42 -0.00 0.00 0.00 179.24 179.40 2ckj s THR 675 N -2.99 1.75 -2.00 1.15 -4.23 -1.26 -4.63 115.64 103.43 2ckj s THR 675 Ca -0.02 -2.13 0.09 0.00 -1.18 0.00 0.00 61.69 58.46 2ckj s THR 675 Cb 0.09 -1.98 0.26 0.00 1.34 0.00 0.00 72.50 72.21 2ckj s THR 675 CO 0.80 -0.52 1.28 -0.81 -0.54 0.00 0.00 174.62 174.83 2ckj n PRO 676 N -0.20 0.92 -0.02 3.99 -0.04 -1.26 -0.03 135.00 138.36 2ckj n PRO 676 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2ckj n PRO 676 Cb 0.59 -1.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 2ckj n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ckj n GLU 677 N -0.66 0.81 0.03 0.54 4.71 -1.26 -2.40 120.64 122.41 2ckj n GLU 677 Ca 0.07 -0.10 -0.16 0.00 -0.01 0.00 0.00 57.16 56.96 2ckj n GLU 677 Cb 0.03 -1.34 -0.06 0.00 -1.01 0.00 0.00 31.44 29.06 2ckj n GLU 677 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2ckj h HIS 678 N 0.00 0.88 0.08 -0.32 3.86 -1.87 -2.56 115.15 115.22 2ckj h HIS 678 Ca -0.10 -0.43 0.02 0.00 -1.16 0.00 0.00 60.37 58.70 2ckj h HIS 678 Cb 0.98 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 2ckj h HIS 678 CO 0.00 1.25 -0.36 0.00 0.86 0.00 0.00 177.93 179.68 2ckj h THR 679 N 0.39 0.25 -0.80 2.45 1.03 -0.54 0.34 112.91 116.03 2ckj h THR 679 Ca -0.08 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.46 2ckj h THR 679 Cb 1.51 0.25 -0.14 0.00 -1.07 0.00 0.00 68.15 68.69 2ckj h THR 679 CO 0.17 0.00 -0.32 1.56 -0.01 0.00 0.00 175.52 176.92 2ckj h GLN 680 N -0.57 -0.06 -0.15 0.00 1.08 -1.51 -2.50 115.11 111.41 2ckj h GLN 680 Ca 0.04 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2ckj h GLN 680 Cb 0.61 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2ckj h GLN 680 CO -0.23 -0.04 -0.19 0.00 -0.95 0.00 0.00 178.83 177.41 2ckj h ARG 681 N -0.06 0.25 0.05 1.46 3.08 -1.05 -3.26 114.38 114.85 2ckj h ARG 681 Ca 0.32 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2ckj h ARG 681 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2ckj h ARG 681 CO -0.84 0.44 -0.03 0.00 -1.07 0.00 0.00 179.97 178.48 2ckj h ALA 682 N 1.58 -0.97 0.00 0.04 0.00 0.12 -3.13 119.26 116.90 2ckj h ALA 682 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ckj h ALA 682 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ckj h ALA 682 CO 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 179.25 178.31 2ckj n ALA 683 N -2.04 0.00 -0.06 0.00 0.00 -1.13 -2.77 120.51 114.50 2ckj n ALA 683 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2ckj n ALA 683 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 2ckj n ALA 683 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ckj h GLN 684 N 0.00 0.00 0.00 0.00 5.75 -1.58 -3.08 115.11 116.20 2ckj h GLN 684 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2ckj h GLN 684 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2ckj h GLN 684 CO 0.00 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.59 2ckj n GLY 685 N 1.66 0.00 3.64 2.39 0.00 -1.20 -4.78 105.19 106.90 2ckj n GLY 685 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2ckj n GLY 685 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckj s VAL 686 N 0.00 4.92 -0.19 1.61 0.11 -1.11 -3.74 120.40 122.00 2ckj s VAL 686 Ca 0.00 1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 60.39 2ckj s VAL 686 Cb 0.00 -4.02 0.01 0.00 -1.53 0.00 0.00 36.38 30.84 2ckj s VAL 686 CO 0.00 -0.01 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.86 2ckj s LYS 687 N 2.56 3.10 0.08 1.54 2.20 -0.75 -4.96 119.74 123.52 2ckj s LYS 687 Ca 0.31 -0.77 0.08 0.00 -0.36 0.00 0.00 55.97 55.22 2ckj s LYS 687 Cb -0.15 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 2ckj s LYS 687 CO 0.08 -0.20 -0.16 0.96 -0.36 0.00 0.00 175.35 175.68 2ckj s ILE 688 N 1.33 3.00 -0.11 5.43 -0.00 -1.26 -1.31 121.20 128.28 2ckj s ILE 688 Ca 0.05 -1.31 0.04 0.00 -0.00 0.00 0.00 60.65 59.42 2ckj s ILE 688 Cb -0.13 -2.34 0.00 0.00 -0.00 0.00 0.00 42.46 39.98 2ckj s ILE 688 CO -0.10 0.19 -0.23 0.42 -0.00 0.00 0.00 174.94 175.22 2ckj s THR 689 N -1.09 2.01 0.23 8.37 -4.23 0.22 -5.00 115.64 116.16 2ckj s THR 689 Ca 0.18 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.81 2ckj s THR 689 Cb -0.11 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2ckj s THR 689 CO 0.09 0.55 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.28 2ckj s TYR 690 N 0.45 2.50 -0.05 3.99 1.51 -1.26 0.80 117.35 125.29 2ckj s TYR 690 Ca -0.16 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2ckj s TYR 690 Cb -0.17 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 2ckj s TYR 690 CO 0.07 0.59 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.89 2ckj s GLU 691 N -3.17 2.10 -0.32 -0.62 2.12 -1.07 -4.91 118.70 112.83 2ckj s GLU 691 Ca 0.27 -0.73 -0.04 0.00 0.36 0.00 0.00 54.97 54.83 2ckj s GLU 691 Cb -0.07 -1.80 0.04 0.00 0.26 0.00 0.00 34.13 32.56 2ckj s GLU 691 CO 0.15 0.30 0.06 -2.00 -0.54 0.00 0.00 175.26 173.23 2ckj s GLU 692 N -0.04 2.56 0.90 4.30 2.12 -1.26 -0.03 118.70 127.25 2ckj s GLU 692 Ca -0.04 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 53.97 2ckj s GLU 692 Cb -0.12 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.06 2ckj s GLU 692 CO 0.03 -0.64 1.09 -0.51 -0.54 0.00 0.00 175.26 174.69 2ckj s LEU 693 N 1.34 2.21 0.56 2.70 1.02 -1.12 -4.97 118.68 120.44 2ckj s LEU 693 Ca -0.03 1.42 -0.14 0.00 0.02 0.00 0.00 54.13 55.40 2ckj s LEU 693 Cb -0.20 -3.83 -0.06 0.00 0.02 0.00 0.00 46.19 42.12 2ckj s LEU 693 CO 0.01 -2.62 1.01 -2.16 0.02 0.00 0.00 176.35 172.61 2ckj s PRO 694 N -4.97 3.77 -0.08 1.29 0.04 -1.26 -4.58 135.00 129.20 2ckj s PRO 694 Ca 0.63 0.88 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2ckj s PRO 694 Cb -0.18 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2ckj s PRO 694 CO 0.57 -0.42 -0.12 0.00 0.04 0.00 0.00 177.00 177.06 2ckj s ALA 695 N -2.85 2.72 -0.23 8.56 0.00 -1.26 -4.86 121.76 123.83 2ckj s ALA 695 Ca 0.57 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2ckj s ALA 695 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2ckj s ALA 695 CO 0.41 0.44 0.35 0.42 0.00 0.00 0.00 175.76 177.38 2ckj s ILE 696 N -0.32 5.22 0.00 0.00 1.01 -1.26 -4.97 121.20 120.87 2ckj s ILE 696 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2ckj s ILE 696 Cb -0.13 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2ckj s ILE 696 CO 0.02 0.24 0.00 -0.38 0.00 0.00 0.00 174.94 174.82 2ckj n ILE 697 N 4.57 0.00 -1.50 2.92 5.41 -1.26 -0.85 119.36 128.65 2ckj n ILE 697 Ca -0.09 0.09 -0.31 0.00 1.00 0.00 0.00 62.75 63.43 2ckj n ILE 697 Cb 0.51 -1.07 0.06 0.00 -0.71 0.00 0.00 39.64 38.44 2ckj n ILE 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ckj s THR 698 N -0.95 3.84 0.06 1.39 -1.32 -1.26 -4.68 115.64 112.72 2ckj s THR 698 Ca 0.00 0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 60.92 2ckj s THR 698 Cb 0.00 -3.28 -0.06 0.00 -1.51 0.00 0.00 72.50 67.65 2ckj s THR 698 CO 0.00 -0.78 1.26 0.40 -2.21 0.00 0.00 174.62 173.29 2ckj h ILE 699 N -0.82 0.00 -2.84 5.08 1.08 -1.98 -3.02 117.51 115.01 2ckj h ILE 699 Ca -0.44 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 63.55 2ckj h ILE 699 Cb 1.22 0.00 0.23 0.00 -3.07 0.00 0.00 36.82 35.19 2ckj h ILE 699 CO 0.56 0.00 -0.79 -1.84 -0.69 0.00 0.00 178.15 175.38 2ckj n GLU 700 N -3.96 -1.13 0.00 2.37 0.28 -1.26 -3.04 120.64 113.91 2ckj n GLU 700 Ca -0.02 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 2ckj n GLU 700 Cb 0.17 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.24 2ckj n GLU 700 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ckj n ASP 701 N -1.81 0.00 0.00 -1.84 8.00 -1.26 -4.62 116.55 115.03 2ckj n ASP 701 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2ckj n ASP 701 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2ckj n ASP 701 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj n ALA 702 N 12.47 0.00 0.05 2.24 0.00 -1.14 -0.19 120.51 133.93 2ckj n ALA 702 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2ckj n ALA 702 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2ckj n ALA 702 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ckj h ILE 703 N 0.00 0.67 -0.79 0.00 2.04 -1.79 0.87 117.51 118.50 2ckj h ILE 703 Ca 0.00 -1.14 0.23 0.00 1.00 0.00 0.00 64.86 64.94 2ckj h ILE 703 Cb 0.00 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2ckj h ILE 703 CO 0.00 0.19 0.89 0.50 0.00 0.00 0.00 178.15 179.72 2ckj h LYS 704 N -0.94 0.00 -0.36 2.37 3.64 -0.91 0.25 116.57 120.61 2ckj h LYS 704 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ckj h LYS 704 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2ckj h LYS 704 CO 0.04 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 2ckj n ASN 705 N -3.46 3.10 -3.36 4.20 3.02 -1.19 -4.93 115.26 112.63 2ckj n ASN 705 Ca 0.17 -1.90 -0.35 0.00 -0.03 0.00 0.00 54.58 52.47 2ckj n ASN 705 Cb 1.15 -0.24 0.03 0.00 -0.61 0.00 0.00 39.78 40.11 2ckj n ASN 705 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ckj n ASN 706 N 1.05 -5.27 -1.53 6.41 5.15 0.87 -5.00 115.26 116.95 2ckj n ASN 706 Ca 0.15 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2ckj n ASN 706 Cb 0.49 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 2ckj n ASN 706 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ckj n SER 707 N -0.00 0.00 -0.60 1.20 7.64 0.30 -4.99 113.62 117.16 2ckj n SER 707 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2ckj n SER 707 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2ckj n SER 707 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2ckj n PHE 708 N 0.00 0.00 -3.65 1.43 1.16 -1.26 -4.98 117.46 110.16 2ckj n PHE 708 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 2ckj n PHE 708 Cb 0.00 -0.60 0.01 0.00 -1.61 0.00 0.00 39.48 37.27 2ckj n PHE 708 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2ckj n TYR 709 N -0.20 -1.32 -1.31 2.97 4.02 -1.24 -4.62 117.16 115.46 2ckj n TYR 709 Ca 0.00 0.41 0.17 0.00 -0.01 0.00 0.00 57.90 58.48 2ckj n TYR 709 Cb 0.00 -2.02 -0.05 0.00 -0.02 0.00 0.00 39.34 37.25 2ckj n TYR 709 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ckj n GLY 710 N -1.50 -2.07 3.75 2.72 0.00 -1.26 -4.58 105.19 102.24 2ckj n GLY 710 Ca -0.19 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 2ckj n GLY 710 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ckj s PRO 711 N -2.44 4.79 -0.45 1.61 0.04 -1.26 -4.77 135.00 132.53 2ckj s PRO 711 Ca 0.00 1.43 -0.41 0.00 0.04 0.00 0.00 61.00 62.06 2ckj s PRO 711 Cb 0.00 -3.29 -0.18 0.00 0.04 0.00 0.00 34.50 31.07 2ckj s PRO 711 CO 0.00 0.48 1.59 -0.85 0.04 0.00 0.00 177.00 178.26 2ckj n GLU 712 N 1.71 0.00 -2.88 4.56 0.28 -1.26 -4.94 120.64 118.11 2ckj n GLU 712 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.64 2ckj n GLU 712 Cb 0.48 -1.34 -0.07 0.00 1.43 0.00 0.00 31.44 31.93 2ckj n GLU 712 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ckj s LEU 713 N 3.57 4.08 -0.03 -1.84 1.02 -0.72 -4.90 118.68 119.87 2ckj s LEU 713 Ca 0.99 1.65 -0.29 0.00 0.02 0.00 0.00 54.13 56.49 2ckj s LEU 713 Cb -1.34 -4.28 0.08 0.00 0.02 0.00 0.00 46.19 40.66 2ckj s LEU 713 CO 0.69 -0.24 0.74 -1.59 0.02 0.00 0.00 176.35 175.96 2ckj s LYS 714 N -2.80 1.00 -0.01 1.70 -2.85 -1.26 -1.43 119.74 114.08 2ckj s LYS 714 Ca 0.57 0.08 0.05 0.00 -1.00 0.00 0.00 55.97 55.67 2ckj s LYS 714 Cb -0.12 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2ckj s LYS 714 CO 0.17 -0.34 -0.15 0.42 0.10 0.00 0.00 175.35 175.54 2ckj s ILE 715 N -1.73 1.22 -0.00 3.79 1.01 0.18 -4.97 121.20 120.69 2ckj s ILE 715 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2ckj s ILE 715 Cb -0.00 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 2ckj s ILE 715 CO 0.03 0.32 -0.03 -1.61 0.00 0.00 0.00 174.94 173.65 2ckj s GLU 716 N -0.43 0.27 -0.26 2.79 2.02 -1.26 -2.33 118.70 119.49 2ckj s GLU 716 Ca 0.06 -0.12 -0.21 0.00 0.02 0.00 0.00 54.97 54.71 2ckj s GLU 716 Cb -0.06 -0.25 0.07 0.00 0.10 0.00 0.00 34.13 33.98 2ckj s GLU 716 CO -0.00 0.07 0.67 0.21 0.02 0.00 0.00 175.26 176.23 2ckj s LYS 717 N -0.09 0.76 5.67 1.61 2.20 -1.20 -5.02 119.74 123.67 2ckj s LYS 717 Ca 0.01 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 2ckj s LYS 717 Cb -0.01 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2ckj s LYS 717 CO -0.00 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2ckj n GLY 718 N 3.18 1.30 0.00 5.54 0.00 -1.25 -1.84 105.19 112.11 2ckj n GLY 718 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2ckj n GLY 718 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ckj n ASP 719 N 6.47 0.00 0.00 1.61 2.03 -1.26 -5.00 116.55 120.40 2ckj n ASP 719 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ckj n ASP 719 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ckj n ASP 719 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ckj n LEU 720 N 0.00 0.00 -0.34 -2.67 -0.00 -1.26 -4.56 117.00 108.17 2ckj n LEU 720 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 2ckj n LEU 720 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 43.82 2ckj n LEU 720 CO 0.00 0.00 1.15 0.50 -0.00 0.00 0.00 177.39 179.04 2ckj h LYS 721 N 0.00 0.52 0.28 1.96 1.63 -1.99 -3.12 116.57 115.85 2ckj h LYS 721 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2ckj h LYS 721 Cb 0.00 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2ckj h LYS 721 CO 0.00 0.34 -0.17 -0.22 -3.45 0.00 0.00 179.45 175.95 2ckj h LYS 722 N 0.53 -0.40 -6.76 1.90 3.64 -2.00 -3.19 116.57 110.30 2ckj h LYS 722 Ca 0.66 0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 59.56 2ckj h LYS 722 Cb 1.29 0.09 0.22 0.00 -0.41 0.00 0.00 32.23 33.42 2ckj h LYS 722 CO -0.50 -0.27 -0.72 0.41 -2.27 0.00 0.00 179.45 176.10 2ckj n GLY 723 N -1.22 -2.16 5.00 5.01 0.00 -1.18 -0.76 105.19 109.88 2ckj n GLY 723 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2ckj n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 724 N -3.86 0.00 -0.24 1.61 0.99 -1.26 -4.19 117.46 110.51 2ckj n PHE 724 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.62 2ckj n PHE 724 Cb 0.56 0.00 0.39 0.00 -1.00 0.00 0.00 39.48 39.44 2ckj n PHE 724 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ckj h SER 725 N 0.00 0.61 -0.33 4.37 4.64 -1.52 -3.21 113.55 118.10 2ckj h SER 725 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2ckj h SER 725 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2ckj h SER 725 CO 0.00 0.32 0.00 -0.62 -0.87 0.00 0.00 176.83 175.66 2ckj n GLU 726 N -4.54 1.85 -4.35 4.77 1.02 0.06 -4.96 120.64 114.50 2ckj n GLU 726 Ca 0.16 -1.32 -0.28 0.00 -0.02 0.00 0.00 57.16 55.70 2ckj n GLU 726 Cb 0.45 -1.32 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 2ckj n GLU 726 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ckj s ALA 727 N -1.56 2.66 -0.11 0.62 0.00 -1.21 -4.99 121.76 117.17 2ckj s ALA 727 Ca 0.27 -1.48 -0.26 0.00 0.00 0.00 0.00 51.96 50.49 2ckj s ALA 727 Cb 0.14 -0.54 -0.23 0.00 0.00 0.00 0.00 23.12 22.50 2ckj s ALA 727 CO 0.19 0.51 0.82 -0.44 0.00 0.00 0.00 175.76 176.84 2ckj h ASP 728 N 3.41 -0.01 -4.32 0.00 3.45 -1.89 -3.47 116.42 113.58 2ckj h ASP 728 Ca -0.48 -0.81 -0.63 0.00 0.43 0.00 0.00 57.03 55.54 2ckj h ASP 728 Cb 1.19 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.69 2ckj h ASP 728 CO 0.47 0.84 -0.86 0.20 -1.57 0.00 0.00 179.24 178.32 2ckj s ASN 729 N -6.04 2.72 -0.16 6.45 0.01 -0.96 -5.02 114.94 111.94 2ckj s ASN 729 Ca -0.17 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 51.45 2ckj s ASN 729 Cb -0.02 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.44 2ckj s ASN 729 CO 0.63 0.21 -0.04 0.54 -1.51 0.00 0.00 177.10 176.93 2ckj s VAL 730 N -0.75 1.02 0.33 1.60 0.11 -1.26 -1.66 120.40 119.78 2ckj s VAL 730 Ca 0.09 -0.59 0.09 0.00 -2.93 0.00 0.00 61.98 58.65 2ckj s VAL 730 Cb -0.09 -1.22 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 2ckj s VAL 730 CO 0.01 0.10 0.01 0.68 -3.33 0.00 0.00 175.10 172.58 2ckj s VAL 731 N 1.67 2.79 -0.30 2.04 -7.23 -1.11 -5.00 120.40 113.26 2ckj s VAL 731 Ca 0.01 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 2ckj s VAL 731 Cb -0.15 -2.80 0.17 0.00 0.56 0.00 0.00 36.38 34.16 2ckj s VAL 731 CO -0.08 -0.24 0.97 -0.55 -0.31 0.00 0.00 175.10 174.90 2ckj s SER 732 N -3.71 -0.61 0.07 4.85 0.15 -1.26 0.99 113.70 114.18 2ckj s SER 732 Ca 0.34 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.40 2ckj s SER 732 Cb -0.02 1.63 0.09 0.00 -1.71 0.00 0.00 66.02 66.02 2ckj s SER 732 CO 0.20 -0.12 1.15 -0.83 1.20 0.00 0.00 173.24 174.84 2ckj s GLY 733 N 2.60 -0.18 -0.09 9.45 0.00 -0.65 -5.03 107.32 113.41 2ckj s GLY 733 Ca -0.00 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 2ckj s GLY 733 CO -0.16 1.75 0.29 1.85 0.00 0.00 0.00 173.10 176.82 2ckj s GLU 734 N -2.47 0.39 -0.03 2.90 2.12 -1.26 -0.13 118.70 120.22 2ckj s GLU 734 Ca 0.19 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 55.71 2ckj s GLU 734 Cb 0.01 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.60 2ckj s GLU 734 CO 0.00 -0.06 0.23 0.96 -0.54 0.00 0.00 175.26 175.86 2ckj s ILE 735 N -0.09 0.05 -0.17 -3.70 -4.36 -0.21 -4.99 121.20 107.72 2ckj s ILE 735 Ca -0.02 -0.42 -0.02 0.00 -0.26 0.00 0.00 60.65 59.92 2ckj s ILE 735 Cb -0.03 -0.48 -0.01 0.00 1.25 0.00 0.00 42.46 43.19 2ckj s ILE 735 CO 0.01 -0.23 -0.07 -0.47 0.24 0.00 0.00 174.94 174.42 2ckj s TYR 736 N -0.94 2.92 -0.25 1.37 5.04 -1.26 -2.21 117.35 122.03 2ckj s TYR 736 Ca -0.10 -0.70 -0.09 0.00 -2.44 0.00 0.00 57.07 53.74 2ckj s TYR 736 Cb -0.05 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 2ckj s TYR 736 CO 0.02 -0.32 0.11 0.42 -1.34 0.00 0.00 175.55 174.44 2ckj s ILE 737 N 0.84 4.76 0.83 3.14 1.01 -0.67 -2.58 121.20 128.53 2ckj s ILE 737 Ca -0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 2ckj s ILE 737 Cb -0.15 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.12 2ckj s ILE 737 CO 0.01 0.33 0.70 0.61 0.00 0.00 0.00 174.94 176.59 2ckj n GLY 738 N 4.70 -1.22 1.02 6.18 0.00 0.59 -2.22 105.19 114.24 2ckj n GLY 738 Ca -0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 2ckj n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 739 N 1.23 -1.13 3.44 -0.02 0.00 -1.26 -4.72 105.19 102.72 2ckj n GLY 739 Ca 0.10 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 2ckj n GLY 739 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ckj s GLN 740 N -3.73 0.68 0.08 1.61 0.74 -1.24 -4.78 119.66 113.03 2ckj s GLN 740 Ca 0.20 0.63 -0.16 0.00 0.05 0.00 0.00 55.36 56.08 2ckj s GLN 740 Cb -0.01 0.33 -0.07 0.00 1.10 0.00 0.00 33.01 34.37 2ckj s GLN 740 CO 0.14 -0.11 0.53 -2.00 -0.55 0.00 0.00 175.29 173.29 2ckj s GLU 741 N 0.01 4.05 0.14 1.67 2.56 -1.26 -0.61 118.70 125.26 2ckj s GLU 741 Ca -0.02 0.57 -0.14 0.00 0.00 0.00 0.00 54.97 55.38 2ckj s GLU 741 Cb -0.04 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.98 2ckj s GLU 741 CO 0.02 0.59 1.62 0.45 -0.56 0.00 0.00 175.26 177.38 2ckj h HIS 742 N 4.20 0.77 -7.01 5.30 3.86 -1.98 -3.48 115.15 116.81 2ckj h HIS 742 Ca -0.50 -0.11 -0.60 0.00 -1.16 0.00 0.00 60.37 58.01 2ckj h HIS 742 Cb 1.21 -0.21 -0.10 0.00 1.06 0.00 0.00 27.41 29.36 2ckj h HIS 742 CO 0.68 0.73 -0.97 0.34 0.86 0.00 0.00 177.93 179.56 2ckj n PHE 743 N -4.48 -1.28 -2.50 2.45 7.35 -1.26 -5.00 117.46 112.73 2ckj n PHE 743 Ca 0.00 0.29 -0.33 0.00 -0.76 0.00 0.00 57.45 56.65 2ckj n PHE 743 Cb 0.24 -2.71 -0.04 0.00 0.35 0.00 0.00 39.48 37.32 2ckj n PHE 743 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ckj s TYR 744 N -3.92 3.34 0.04 -5.13 -0.85 -1.26 -4.81 117.35 104.76 2ckj s TYR 744 Ca 0.27 1.52 -0.19 0.00 -0.52 0.00 0.00 57.07 58.15 2ckj s TYR 744 Cb -0.15 -2.84 -0.16 0.00 0.38 0.00 0.00 41.96 39.18 2ckj s TYR 744 CO 0.97 -0.39 1.28 -0.07 -1.52 0.00 0.00 175.55 175.82 2ckj h LEU 745 N 1.21 0.49 -9.15 -3.49 -0.00 -1.88 -3.41 115.31 99.08 2ckj h LEU 745 Ca -0.48 -0.57 -0.57 0.00 -0.00 0.00 0.00 57.88 56.26 2ckj h LEU 745 Cb 1.19 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.66 2ckj h LEU 745 CO 0.61 0.97 0.72 -0.70 -0.00 0.00 0.00 178.44 180.04 2ckj s GLU 746 N -3.95 4.32 0.00 1.13 2.12 -1.25 -4.65 118.70 116.41 2ckj s GLU 746 Ca -0.14 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2ckj s GLU 746 Cb 0.05 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2ckj s GLU 746 CO 0.79 -0.52 0.00 -2.37 -0.54 0.00 0.00 175.26 172.61 2ckj n THR 747 N 5.05 0.00 -2.00 -1.70 5.66 -1.26 -4.66 114.28 115.37 2ckj n THR 747 Ca 0.11 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.83 2ckj n THR 747 Cb 0.47 -1.75 0.07 0.00 -1.55 0.00 0.00 70.33 67.56 2ckj n THR 747 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2ckj s HIS 748 N -0.03 3.06 0.00 1.09 0.09 -1.26 -4.92 115.29 113.31 2ckj s HIS 748 Ca 0.00 0.75 0.00 0.00 -0.00 0.00 0.00 55.06 55.81 2ckj s HIS 748 Cb 0.00 -3.28 0.00 0.00 -0.00 0.00 0.00 32.58 29.30 2ckj s HIS 748 CO 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 174.74 173.25 2ckj s THR 750 N -0.70 -0.01 -0.12 0.00 2.01 -0.65 -2.28 115.64 113.90 2ckj s THR 750 Ca 0.00 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 2ckj s THR 750 Cb 0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 2ckj s THR 750 CO 0.00 0.12 0.08 -0.63 -0.69 0.00 0.00 174.62 173.50 2ckj s ILE 751 N 1.28 5.00 -0.02 1.82 1.01 0.10 -2.17 121.20 128.21 2ckj s ILE 751 Ca -0.06 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2ckj s ILE 751 Cb -0.13 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2ckj s ILE 751 CO -0.03 0.58 -0.08 0.00 0.00 0.00 0.00 174.94 175.42 2ckj s ALA 752 N -0.72 0.72 -0.03 9.38 0.00 0.43 -0.59 121.76 130.96 2ckj s ALA 752 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2ckj s ALA 752 Cb -0.12 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2ckj s ALA 752 CO 0.03 0.14 0.00 0.54 0.00 0.00 0.00 175.76 176.46 2ckj s VAL 753 N 0.06 0.17 -0.30 0.00 0.11 0.17 -2.59 120.40 118.02 2ckj s VAL 753 Ca -0.01 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.00 2ckj s VAL 753 Cb -0.06 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2ckj s VAL 753 CO -0.00 0.14 0.30 -2.16 -3.33 0.00 0.00 175.10 170.05 2ckj s PRO 754 N 1.03 3.82 0.20 1.54 0.05 -1.26 -2.26 135.00 138.12 2ckj s PRO 754 Ca -0.10 -0.27 -0.08 0.00 0.05 0.00 0.00 61.00 60.61 2ckj s PRO 754 Cb -0.13 -3.71 0.13 0.00 0.05 0.00 0.00 34.50 30.83 2ckj s PRO 754 CO -0.02 -0.33 1.67 0.87 0.05 0.00 0.00 177.00 179.25 2ckj h LYS 755 N 8.35 1.03 0.00 4.56 1.57 -1.87 -3.46 116.57 126.75 2ckj h LYS 755 Ca -0.32 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2ckj h LYS 755 Cb 1.17 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2ckj h LYS 755 CO 0.62 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.91 2ckj n GLY 756 N -0.49 0.85 3.44 3.86 0.00 -1.25 -5.04 105.19 106.57 2ckj n GLY 756 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2ckj n GLY 756 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ckj s GLU 757 N -0.58 3.61 -1.52 1.61 -1.05 -1.26 -4.83 118.70 114.68 2ckj s GLU 757 Ca 0.00 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2ckj s GLU 757 Cb 0.00 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2ckj s GLU 757 CO 0.00 -0.01 0.00 0.00 0.95 0.00 0.00 175.26 176.20 2ckj n ALA 758 N 4.33 -0.22 -0.39 -0.84 0.00 -1.26 -2.82 120.51 119.31 2ckj n ALA 758 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2ckj n ALA 758 Cb 0.52 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2ckj n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 759 N -1.21 0.75 3.74 0.00 0.00 -1.26 -4.99 105.19 102.22 2ckj n GLY 759 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2ckj n GLY 759 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 760 N -2.00 2.21 -3.58 1.61 1.02 -1.13 -4.88 120.64 113.90 2ckj n GLU 760 Ca 0.00 0.79 -0.16 0.00 -0.02 0.00 0.00 57.16 57.77 2ckj n GLU 760 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 31.44 28.81 2ckj n GLU 760 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2ckj s MET 761 N -2.28 0.93 -0.00 3.49 1.75 -1.10 -2.46 119.30 119.63 2ckj s MET 761 Ca 0.59 0.64 0.07 0.00 -1.25 0.00 0.00 55.69 55.75 2ckj s MET 761 Cb -0.48 0.45 -0.02 0.00 2.84 0.00 0.00 34.83 37.62 2ckj s MET 761 CO 0.59 -0.21 -0.22 -2.00 -0.65 0.00 0.00 175.02 172.53 2ckj s GLU 762 N -0.36 1.72 -0.02 4.11 2.12 -0.96 -2.66 118.70 122.64 2ckj s GLU 762 Ca -0.05 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.49 2ckj s GLU 762 Cb -0.03 -1.70 -0.00 0.00 0.26 0.00 0.00 34.13 32.67 2ckj s GLU 762 CO 0.05 0.46 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.62 2ckj s LEU 763 N -0.65 1.87 -0.31 2.70 1.02 0.12 -0.66 118.68 122.77 2ckj s LEU 763 Ca 0.08 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.06 2ckj s LEU 763 Cb -0.09 -0.58 0.08 0.00 0.02 0.00 0.00 46.19 45.63 2ckj s LEU 763 CO -0.00 0.09 -0.01 -0.36 0.02 0.00 0.00 176.35 176.09 2ckj s PHE 764 N 0.03 3.55 -0.06 0.29 0.40 0.24 -1.81 117.98 120.63 2ckj s PHE 764 Ca -0.01 -2.68 0.01 0.00 -0.60 0.00 0.00 56.93 53.66 2ckj s PHE 764 Cb -0.07 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.96 2ckj s PHE 764 CO 0.00 -0.92 -0.05 0.08 0.70 0.00 0.00 175.22 175.03 2ckj s VAL 765 N 1.00 0.66 -1.31 -0.44 1.01 -1.07 -0.73 120.40 119.53 2ckj s VAL 765 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 2ckj s VAL 765 Cb -0.20 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.57 2ckj s VAL 765 CO -0.06 0.26 1.77 -0.24 0.00 0.00 0.00 175.10 176.83 2ckj n SER 766 N 4.21 4.86 -4.27 3.32 2.88 -0.96 -4.60 113.62 119.05 2ckj n SER 766 Ca -0.21 -2.91 -0.16 0.00 -1.33 0.00 0.00 58.87 54.26 2ckj n SER 766 Cb 0.51 -1.74 -0.10 0.00 -0.75 0.00 0.00 64.21 62.12 2ckj n SER 766 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ckj s THR 767 N 4.23 1.33 -0.07 2.46 -1.32 -1.26 -4.67 115.64 116.34 2ckj s THR 767 Ca 0.54 -2.08 0.07 0.00 -1.21 0.00 0.00 61.69 59.01 2ckj s THR 767 Cb 0.05 -1.88 -0.24 0.00 -1.51 0.00 0.00 72.50 68.92 2ckj s THR 767 CO 0.07 -0.69 0.55 0.00 -2.21 0.00 0.00 174.62 172.34 2ckj n GLN 768 N -0.20 0.67 -3.30 7.08 6.02 -0.96 -4.84 117.38 121.85 2ckj n GLN 768 Ca -0.10 0.27 -0.46 0.00 -0.01 0.00 0.00 57.00 56.71 2ckj n GLN 768 Cb 0.60 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 2ckj n GLN 768 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ckj s ASN 769 N -6.34 6.19 0.01 1.08 3.84 -1.23 -2.26 114.94 116.23 2ckj s ASN 769 Ca -0.10 -1.77 -0.05 0.00 0.21 0.00 0.00 52.86 51.14 2ckj s ASN 769 Cb 0.08 -2.21 -0.29 0.00 -0.55 0.00 0.00 41.25 38.27 2ckj s ASN 769 CO 0.81 -0.87 0.90 0.00 -2.79 0.00 0.00 177.10 175.15 2ckj h THR 770 N 5.89 1.21 -0.21 -5.21 1.03 -1.88 -2.87 112.91 110.86 2ckj h THR 770 Ca -0.30 -2.81 -0.03 0.00 -0.01 0.00 0.00 66.41 63.27 2ckj h THR 770 Cb 1.10 2.82 -0.01 0.00 -1.07 0.00 0.00 68.15 71.00 2ckj h THR 770 CO 1.04 0.83 0.04 -0.03 -0.01 0.00 0.00 175.52 177.39 2ckj h MET 771 N 0.08 0.35 0.07 0.00 1.85 -1.92 -2.97 114.93 112.39 2ckj h MET 771 Ca -0.24 -0.09 -0.00 0.00 -0.61 0.00 0.00 59.70 58.76 2ckj h MET 771 Cb 2.03 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 34.02 2ckj h MET 771 CO 0.18 0.50 -0.03 0.87 -0.40 0.00 0.00 176.91 178.03 2ckj h LYS 772 N 0.16 -0.09 -1.01 0.39 1.79 -1.90 -1.30 116.57 114.61 2ckj h LYS 772 Ca 0.07 0.01 0.34 0.00 -2.18 0.00 0.00 60.65 58.88 2ckj h LYS 772 Cb 0.32 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 30.83 2ckj h LYS 772 CO 0.00 0.40 0.57 1.15 -1.08 0.00 0.00 179.45 180.49 2ckj h THR 773 N -0.62 0.24 -0.09 -0.16 2.02 -1.55 0.21 112.91 112.97 2ckj h THR 773 Ca -0.01 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 2ckj h THR 773 Cb 0.52 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2ckj h THR 773 CO 0.02 0.05 -0.18 -0.61 0.37 0.00 0.00 175.52 175.16 2ckj h GLN 774 N 0.26 0.28 -0.10 6.66 4.15 -1.42 -2.90 115.11 122.04 2ckj h GLN 774 Ca 0.76 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.90 2ckj h GLN 774 Cb 1.80 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.52 2ckj h GLN 774 CO -0.63 0.78 -0.33 0.77 -1.93 0.00 0.00 178.83 177.49 2ckj h SER 775 N -0.19 0.45 0.77 -0.69 0.02 0.57 -0.57 113.55 113.91 2ckj h SER 775 Ca 0.00 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.30 2ckj h SER 775 Cb 0.77 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2ckj h SER 775 CO 0.04 0.99 -0.18 -0.26 -1.14 0.00 0.00 176.83 176.28 2ckj h PHE 776 N -0.06 0.00 0.53 3.45 -1.00 -1.37 0.32 116.94 118.82 2ckj h PHE 776 Ca -0.01 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2ckj h PHE 776 Cb 0.96 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.52 2ckj h PHE 776 CO 0.12 0.18 -0.25 0.28 -1.61 0.00 0.00 178.31 177.03 2ckj h VAL 777 N 0.00 0.41 -0.99 -0.55 2.07 -1.34 -2.92 116.25 112.93 2ckj h VAL 777 Ca -0.00 -0.30 0.20 0.00 0.82 0.00 0.00 66.70 67.42 2ckj h VAL 777 Cb 0.61 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 2ckj h VAL 777 CO 0.02 0.04 0.62 0.00 0.02 0.00 0.00 177.57 178.27 2ckj h ALA 778 N -0.56 1.84 0.08 1.67 0.00 0.87 -2.01 119.26 121.14 2ckj h ALA 778 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ckj h ALA 778 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ckj h ALA 778 CO 0.12 -0.19 -0.07 -0.22 0.00 0.00 0.00 179.25 178.89 2ckj h LYS 779 N 0.66 -0.15 -0.26 0.00 3.64 -0.57 -0.23 116.57 119.66 2ckj h LYS 779 Ca 0.56 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.91 2ckj h LYS 779 Cb 1.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2ckj h LYS 779 CO -0.33 -0.10 -0.01 1.98 -2.27 0.00 0.00 179.45 178.72 2ckj h MET 780 N -0.16 0.39 0.05 1.90 4.05 -1.18 -2.89 114.93 117.09 2ckj h MET 780 Ca -0.00 -0.07 -0.26 0.00 -0.28 0.00 0.00 59.70 59.09 2ckj h MET 780 Cb 0.14 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2ckj h MET 780 CO -0.01 0.43 -1.30 -0.07 0.23 0.00 0.00 176.91 176.19 2ckj h LEU 781 N 0.38 0.16 -0.01 3.39 3.38 -1.21 -2.34 115.31 119.05 2ckj h LEU 781 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ckj h LEU 781 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ckj h LEU 781 CO 0.01 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2ckj n GLY 782 N 1.49 1.22 3.32 0.83 0.00 -0.15 -4.25 105.19 107.66 2ckj n GLY 782 Ca -0.08 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 782 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ckj s VAL 783 N -2.01 1.71 0.59 1.61 -7.23 -0.90 -5.04 120.40 109.12 2ckj s VAL 783 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 2ckj s VAL 783 Cb 0.00 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 2ckj s VAL 783 CO 0.00 -0.44 0.44 -0.81 -0.31 0.00 0.00 175.10 173.98 2ckj n PRO 784 N 0.07 0.42 0.29 4.82 -0.04 -1.26 -4.48 135.00 134.82 2ckj n PRO 784 Ca -0.12 0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.67 2ckj n PRO 784 Cb 0.58 -1.64 0.88 0.00 -0.04 0.00 0.00 33.50 33.28 2ckj n PRO 784 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj h ALA 785 N 0.11 1.23 -0.09 0.55 0.00 -1.95 -2.35 119.26 116.76 2ckj h ALA 785 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ckj h ALA 785 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ckj h ALA 785 CO 0.45 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.04 2ckj n ASN 786 N -3.49 1.99 0.08 0.00 0.23 -1.26 -2.67 115.26 110.14 2ckj n ASN 786 Ca -0.02 -1.69 0.12 0.00 -0.53 0.00 0.00 54.58 52.46 2ckj n ASN 786 Cb 0.18 -0.05 0.04 0.00 -2.08 0.00 0.00 39.78 37.86 2ckj n ASN 786 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2ckj n ARG 787 N 0.54 0.48 -3.80 -3.83 5.12 -0.88 -4.83 116.66 109.46 2ckj n ARG 787 Ca 0.17 0.08 -0.35 0.00 -1.93 0.00 0.00 57.85 55.82 2ckj n ARG 787 Cb 0.42 -1.74 -0.08 0.00 -1.16 0.00 0.00 32.46 29.89 2ckj n ARG 787 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ckj s ILE 788 N -3.30 5.30 -0.12 0.55 1.09 -1.09 -2.70 121.20 120.93 2ckj s ILE 788 Ca 0.01 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.72 2ckj s ILE 788 Cb 0.11 -3.40 -0.01 0.00 -1.06 0.00 0.00 42.46 38.10 2ckj s ILE 788 CO 0.78 0.47 -0.15 -0.69 -0.10 0.00 0.00 174.94 175.25 2ckj s VAL 789 N 0.18 2.87 -0.12 2.92 1.01 -1.09 -5.02 120.40 121.15 2ckj s VAL 789 Ca 0.08 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2ckj s VAL 789 Cb -0.11 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2ckj s VAL 789 CO -0.01 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 2ckj s VAL 790 N 0.29 2.75 0.03 2.92 1.01 -1.26 -0.70 120.40 125.44 2ckj s VAL 790 Ca -0.11 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2ckj s VAL 790 Cb -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2ckj s VAL 790 CO 0.06 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.57 2ckj s ARG 791 N 0.37 0.85 -0.07 2.72 1.70 -0.75 -3.02 118.95 120.74 2ckj s ARG 791 Ca -0.13 -0.68 -0.00 0.00 -0.47 0.00 0.00 55.73 54.45 2ckj s ARG 791 Cb -0.16 -0.82 0.02 0.00 -0.57 0.00 0.00 34.95 33.42 2ckj s ARG 791 CO 0.06 0.20 -0.03 0.08 -1.08 0.00 0.00 175.30 174.54 2ckj s VAL 792 N -0.79 0.56 -0.22 4.99 1.01 -0.49 -2.59 120.40 122.86 2ckj s VAL 792 Ca 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2ckj s VAL 792 Cb -0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 36.38 35.53 2ckj s VAL 792 CO 0.01 0.27 -0.12 1.17 0.00 0.00 0.00 175.10 176.43 2ckj n LYS 793 N 4.72 0.55 -3.96 2.72 4.81 -1.26 -2.15 118.16 123.59 2ckj n LYS 793 Ca -0.14 0.41 -0.09 0.00 -0.87 0.00 0.00 58.31 57.62 2ckj n LYS 793 Cb 0.50 -1.61 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 2ckj n LYS 793 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ckj s ARG 794 N -2.47 1.69 0.04 1.64 1.70 -1.26 -4.43 118.95 115.86 2ckj s ARG 794 Ca -0.31 -1.23 0.01 0.00 -0.47 0.00 0.00 55.73 53.73 2ckj s ARG 794 Cb 0.08 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.95 2ckj s ARG 794 CO 0.48 -0.73 -0.05 -1.64 -1.08 0.00 0.00 175.30 172.28 2ckj s MET 795 N -3.80 0.51 -0.01 3.89 -1.94 -1.02 -4.84 119.30 112.09 2ckj s MET 795 Ca 0.20 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 2ckj s MET 795 Cb -0.02 -0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.78 2ckj s MET 795 CO 0.09 -0.02 0.59 0.41 -0.01 0.00 0.00 175.02 176.08 2ckj n GLY 796 N 1.09 1.28 0.00 -0.03 0.00 -1.26 -4.06 105.19 102.21 2ckj n GLY 796 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 797 N 0.07 3.68 0.70 -0.02 0.00 -1.25 -2.91 105.19 105.47 2ckj n GLY 797 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2ckj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 798 N -1.23 0.00 2.90 -0.02 0.00 -1.26 -4.90 105.19 100.67 2ckj n GLY 798 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ckj n GLY 798 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 799 N -1.91 -1.73 0.00 1.61 3.01 -1.26 0.16 117.46 117.35 2ckj n PHE 799 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.63 2ckj n PHE 799 Cb 0.03 -1.86 0.00 0.00 -0.01 0.00 0.00 39.48 37.64 2ckj n PHE 799 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ckj n GLY 800 N -0.76 1.73 0.50 1.37 0.00 -1.26 -2.45 105.19 104.32 2ckj n GLY 800 Ca -0.02 -0.01 0.28 0.00 0.00 0.00 0.00 46.02 46.27 2ckj n GLY 800 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 801 N 0.00 0.00 -0.04 -0.02 0.00 0.18 -1.16 103.07 102.03 2ckj h GLY 801 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ckj h GLY 801 CO 0.00 0.00 -0.02 0.58 0.00 0.00 0.00 176.54 177.10 2ckj n LYS 802 N -3.50 1.91 -0.09 4.80 2.85 -1.15 -4.38 118.16 118.59 2ckj n LYS 802 Ca 0.20 -1.98 0.25 0.00 -1.05 0.00 0.00 58.31 55.72 2ckj n LYS 802 Cb 1.26 -1.21 0.71 0.00 -0.65 0.00 0.00 35.03 35.14 2ckj n LYS 802 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2ckj h GLU 803 N 0.00 0.00 0.00 -1.58 4.81 -1.51 -2.54 114.58 113.76 2ckj h GLU 803 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ckj h GLU 803 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2ckj h GLU 803 CO 0.00 0.00 -0.20 0.25 -0.73 0.00 0.00 179.01 178.33 2ckj n THR 804 N -4.25 0.00 0.00 0.32 -2.24 -1.26 -4.25 114.28 102.60 2ckj n THR 804 Ca 0.14 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 2ckj n THR 804 Cb 0.81 -0.39 0.12 0.00 -2.10 0.00 0.00 70.33 68.76 2ckj n THR 804 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ckj h ARG 805 N 0.00 0.53 -0.36 -0.78 2.47 -1.83 -2.32 114.38 112.09 2ckj h ARG 805 Ca 0.00 -0.27 0.08 0.00 -1.26 0.00 0.00 59.98 58.53 2ckj h ARG 805 Cb 0.20 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.45 2ckj h ARG 805 CO 0.00 0.85 -0.06 -1.13 0.56 0.00 0.00 179.97 180.18 2ckj n SER 806 N -4.03 -0.11 -0.31 7.04 3.41 -1.26 0.11 113.62 118.47 2ckj n SER 806 Ca -0.02 0.61 0.25 0.00 -0.26 0.00 0.00 58.87 59.45 2ckj n SER 806 Cb 0.51 -0.19 0.55 0.00 -0.26 0.00 0.00 64.21 64.82 2ckj n SER 806 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ckj h THR 807 N 0.00 0.51 -0.24 6.66 1.35 -1.77 -2.62 112.91 116.81 2ckj h THR 807 Ca 0.18 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2ckj h THR 807 Cb 0.31 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2ckj h THR 807 CO -0.36 0.06 0.16 -0.37 -0.25 0.00 0.00 175.52 174.76 2ckj h VAL 808 N 0.32 1.06 0.15 6.82 -1.51 0.60 -0.89 116.25 122.80 2ckj h VAL 808 Ca 0.58 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.93 2ckj h VAL 808 Cb 1.61 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2ckj h VAL 808 CO -0.24 0.06 -0.07 0.58 -1.23 0.00 0.00 177.57 176.67 2ckj h VAL 809 N 0.32 0.68 -0.69 7.19 2.07 -1.61 -3.31 116.25 120.90 2ckj h VAL 809 Ca 0.09 -1.17 0.12 0.00 0.82 0.00 0.00 66.70 66.55 2ckj h VAL 809 Cb -0.04 1.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.80 2ckj h VAL 809 CO -0.02 0.19 -0.35 0.28 0.02 0.00 0.00 177.57 177.69 2ckj h SER 810 N -0.94 -1.25 -0.62 0.57 0.02 -1.19 -0.59 113.55 109.55 2ckj h SER 810 Ca -0.02 0.25 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 2ckj h SER 810 Cb 0.47 0.63 -0.12 0.00 0.14 0.00 0.00 62.40 63.52 2ckj h SER 810 CO 0.03 -0.30 -0.25 0.00 -1.14 0.00 0.00 176.83 175.17 2ckj h THR 811 N -0.12 0.25 0.99 -2.27 1.03 -1.34 0.60 112.91 112.05 2ckj h THR 811 Ca 0.26 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.61 2ckj h THR 811 Cb 0.56 0.25 0.01 0.00 -1.07 0.00 0.00 68.15 67.91 2ckj h THR 811 CO -0.76 0.00 -0.47 0.00 -0.01 0.00 0.00 175.52 174.28 2ckj h ALA 812 N 1.32 -1.32 -0.17 0.00 0.00 -1.27 -2.66 119.26 115.16 2ckj h ALA 812 Ca 0.27 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ckj h ALA 812 Cb 0.52 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2ckj h ALA 812 CO -0.67 -1.24 -0.53 0.28 0.00 0.00 0.00 179.25 177.09 2ckj h VAL 813 N -1.34 0.02 -0.79 0.00 2.07 -0.75 -2.15 116.25 113.32 2ckj h VAL 813 Ca -0.14 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.51 2ckj h VAL 813 Cb 1.01 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 2ckj h VAL 813 CO 0.22 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.53 2ckj n ALA 814 N -3.01 -0.04 -0.21 1.67 0.00 0.21 -2.57 120.51 116.57 2ckj n ALA 814 Ca -0.06 0.80 -0.08 0.00 0.00 0.00 0.00 53.44 54.11 2ckj n ALA 814 Cb 0.37 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.46 2ckj n ALA 814 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ckj h LEU 815 N 0.00 0.81 -0.19 0.00 5.85 -1.02 -0.93 115.31 119.83 2ckj h LEU 815 Ca 0.30 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2ckj h LEU 815 Cb 0.49 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2ckj h LEU 815 CO -0.79 0.77 -0.29 0.00 -0.34 0.00 0.00 178.44 177.79 2ckj h ALA 816 N 1.07 -0.27 -0.58 1.25 0.00 -1.48 -0.59 119.26 118.66 2ckj h ALA 816 Ca 0.19 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.24 2ckj h ALA 816 Cb 0.22 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2ckj h ALA 816 CO -0.01 -0.75 -0.37 0.00 0.00 0.00 0.00 179.25 178.12 2ckj h ALA 817 N 0.58 -0.15 -0.70 0.00 0.00 -1.18 -0.85 119.26 116.96 2ckj h ALA 817 Ca 0.11 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.32 2ckj h ALA 817 Cb 0.51 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 2ckj h ALA 817 CO -0.37 -0.73 0.06 -0.92 0.00 0.00 0.00 179.25 177.28 2ckj h TYR 818 N -0.19 0.06 0.82 0.00 3.20 -0.88 0.46 116.97 120.44 2ckj h TYR 818 Ca 0.21 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2ckj h TYR 818 Cb 0.56 0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.92 2ckj h TYR 818 CO -0.66 -0.16 -0.39 -0.22 -1.64 0.00 0.00 178.16 175.08 2ckj h LYS 819 N 0.16 -1.06 0.00 1.82 1.63 -0.84 -3.34 116.57 114.95 2ckj h LYS 819 Ca 0.38 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 2ckj h LYS 819 Cb 0.65 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2ckj h LYS 819 CO -0.57 -0.71 -0.45 0.25 -3.45 0.00 0.00 179.45 174.53 2ckj n THR 820 N -5.25 0.23 -1.13 1.00 -2.24 -0.35 -4.93 114.28 101.62 2ckj n THR 820 Ca -0.14 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 2ckj n THR 820 Cb 0.43 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 2ckj n THR 820 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 821 N 1.40 0.64 3.14 3.38 0.00 0.16 -4.94 105.19 108.98 2ckj n GLY 821 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2ckj n GLY 821 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ckj s ARG 822 N -1.80 0.87 0.36 1.61 1.70 -1.24 -4.84 118.95 115.60 2ckj s ARG 822 Ca 0.00 -1.39 -0.28 0.00 -0.47 0.00 0.00 55.73 53.58 2ckj s ARG 822 Cb 0.00 0.19 -0.11 0.00 -0.57 0.00 0.00 34.95 34.46 2ckj s ARG 822 CO 0.00 -0.21 1.51 -1.25 -1.08 0.00 0.00 175.30 174.27 2ckj s PRO 823 N -4.01 4.11 0.00 3.89 0.04 -1.26 -4.50 135.00 133.27 2ckj s PRO 823 Ca 0.20 2.58 0.01 0.00 0.04 0.00 0.00 61.00 63.83 2ckj s PRO 823 Cb 0.07 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 2ckj s PRO 823 CO -0.01 -0.56 -0.04 0.08 0.04 0.00 0.00 177.00 176.51 2ckj s VAL 824 N -0.86 0.32 0.13 -0.36 1.01 -1.07 -0.89 120.40 118.68 2ckj s VAL 824 Ca 0.55 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2ckj s VAL 824 Cb -0.47 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2ckj s VAL 824 CO 0.60 0.04 -0.09 0.00 0.00 0.00 0.00 175.10 175.65 2ckj s ARG 825 N -0.23 0.99 -0.09 2.72 1.70 -0.19 -0.43 118.95 123.43 2ckj s ARG 825 Ca 0.00 -1.42 -0.25 0.00 -0.47 0.00 0.00 55.73 53.60 2ckj s ARG 825 Cb -0.02 -0.49 0.06 0.00 -0.57 0.00 0.00 34.95 33.93 2ckj s ARG 825 CO -0.00 0.04 0.58 0.00 -1.08 0.00 0.00 175.30 174.84 2ckj s MET 827 N -0.81 0.31 0.57 0.00 0.00 -1.26 -1.64 119.30 116.46 2ckj s MET 827 Ca -0.09 0.42 -0.15 0.00 0.00 0.00 0.00 55.69 55.87 2ckj s MET 827 Cb -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 34.83 34.86 2ckj s MET 827 CO 0.06 -0.06 1.02 -0.51 0.00 0.00 0.00 175.02 175.54 2ckj s LEU 828 N 0.36 3.51 0.53 4.11 1.43 -1.11 -5.01 118.68 122.49 2ckj s LEU 828 Ca -0.02 1.67 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2ckj s LEU 828 Cb -0.03 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 2ckj s LEU 828 CO -0.01 -0.92 0.86 -1.81 0.23 0.00 0.00 176.35 174.70 2ckj s ASP 829 N -3.08 6.23 0.07 2.29 1.01 -1.26 -4.74 116.67 117.18 2ckj s ASP 829 Ca 0.61 1.07 -0.30 0.00 0.71 0.00 0.00 52.55 54.63 2ckj s ASP 829 Cb -0.13 -2.29 -0.18 0.00 1.01 0.00 0.00 42.92 41.33 2ckj s ASP 829 CO 0.37 -0.69 1.61 -0.09 0.21 0.00 0.00 175.17 176.58 2ckj h ARG 830 N 0.04 -0.64 -1.00 8.23 2.43 -1.83 -1.79 114.38 119.82 2ckj h ARG 830 Ca -0.46 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.03 2ckj h ARG 830 Cb 1.20 0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.76 2ckj h ARG 830 CO 0.62 -0.41 0.58 0.38 -1.51 0.00 0.00 179.97 179.63 2ckj h ASP 831 N -0.70 0.62 -0.15 -3.80 3.04 -1.85 -2.11 116.42 111.47 2ckj h ASP 831 Ca -0.07 0.16 -0.01 0.00 -3.24 0.00 0.00 57.03 53.87 2ckj h ASP 831 Cb 0.53 0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 38.88 2ckj h ASP 831 CO 0.11 0.02 0.06 -0.33 -2.04 0.00 0.00 179.24 177.06 2ckj h GLU 832 N 0.49 0.23 -0.51 4.15 5.08 -1.72 -3.28 114.58 119.02 2ckj h GLU 832 Ca 0.68 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 59.02 2ckj h GLU 832 Cb 1.38 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 2ckj h GLU 832 CO -0.52 0.32 0.29 0.22 -1.00 0.00 0.00 179.01 178.32 2ckj h ASP 833 N 0.09 0.46 0.48 1.42 3.58 -0.65 -2.62 116.42 119.18 2ckj h ASP 833 Ca 0.05 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 2ckj h ASP 833 Cb 0.18 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2ckj h ASP 833 CO -0.00 0.32 -0.31 0.24 -2.88 0.00 0.00 179.24 176.61 2ckj h MET 834 N 0.58 0.00 0.00 0.28 2.86 -1.58 -2.12 114.93 114.94 2ckj h MET 834 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2ckj h MET 834 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2ckj h MET 834 CO -0.11 0.31 0.00 -0.11 1.06 0.00 0.00 176.91 178.06 2ckj n LEU 835 N -3.86 0.14 -0.09 1.22 7.94 -1.09 -4.29 117.00 116.98 2ckj n LEU 835 Ca -0.01 0.77 -0.07 0.00 -1.11 0.00 0.00 56.01 55.59 2ckj n LEU 835 Cb 0.39 -0.42 0.01 0.00 0.53 0.00 0.00 43.42 43.92 2ckj n LEU 835 CO 0.36 -0.42 0.92 0.40 -1.11 0.00 0.00 177.39 177.55 2ckj h ILE 836 N 0.00 0.90 0.05 1.96 2.04 -1.36 -3.32 117.51 117.79 2ckj h ILE 836 Ca 0.00 -0.08 -0.26 0.00 1.00 0.00 0.00 64.86 65.52 2ckj h ILE 836 Cb 0.00 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2ckj h ILE 836 CO 0.00 0.04 -1.27 0.71 0.00 0.00 0.00 178.15 177.63 2ckj h THR 837 N 0.23 1.42 0.00 -0.27 1.35 -1.63 -3.45 112.91 110.57 2ckj h THR 837 Ca 0.15 -3.11 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 2ckj h THR 837 Cb 0.12 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2ckj h THR 837 CO -0.16 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 2ckj n GLY 838 N 1.49 -1.28 1.46 5.82 0.00 -1.25 -4.79 105.19 106.64 2ckj n GLY 838 Ca -0.08 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2ckj n GLY 838 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 839 N -1.16 2.78 3.63 -0.02 0.00 -1.26 -4.76 105.19 104.40 2ckj n GLY 839 Ca 0.00 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 2ckj n GLY 839 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ckj n ARG 840 N -1.07 1.13 -2.17 1.61 0.63 0.22 -1.29 116.66 115.71 2ckj n ARG 840 Ca 0.00 0.42 -0.42 0.00 -0.92 0.00 0.00 57.85 56.93 2ckj n ARG 840 Cb 0.24 -2.18 -0.03 0.00 0.45 0.00 0.00 32.46 30.94 2ckj n ARG 840 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2ckj s HIS 841 N -1.43 2.92 0.34 -0.14 3.76 -1.26 -3.58 115.29 115.90 2ckj s HIS 841 Ca 0.71 0.80 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2ckj s HIS 841 Cb -0.45 -3.70 -0.06 0.00 1.11 0.00 0.00 32.58 29.48 2ckj s HIS 841 CO 0.50 -2.59 0.64 -1.25 -0.85 0.00 0.00 174.74 171.19 2ckj s PRO 842 N 2.02 3.69 0.04 8.40 0.05 -1.26 -4.70 135.00 143.24 2ckj s PRO 842 Ca 0.65 0.19 0.05 0.00 0.05 0.00 0.00 61.00 61.94 2ckj s PRO 842 Cb -0.34 -2.54 -0.02 0.00 0.05 0.00 0.00 34.50 31.65 2ckj s PRO 842 CO 0.28 0.11 -0.13 -0.06 0.05 0.00 0.00 177.00 177.25 2ckj s PHE 843 N -2.21 1.17 -0.09 0.56 0.08 -0.94 -2.20 117.98 114.35 2ckj s PHE 843 Ca 0.47 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.18 2ckj s PHE 843 Cb -0.11 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.66 2ckj s PHE 843 CO 0.31 0.03 -0.19 -1.17 -0.10 0.00 0.00 175.22 174.10 2ckj s LEU 844 N -1.26 1.91 0.00 -0.37 2.96 0.15 -1.67 118.68 120.40 2ckj s LEU 844 Ca 0.00 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2ckj s LEU 844 Cb -0.08 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 2ckj s LEU 844 CO 0.01 0.11 -0.15 0.00 -1.32 0.00 0.00 176.35 175.01 2ckj s ALA 845 N 0.47 1.22 -0.10 5.97 0.00 -0.94 -0.90 121.76 127.47 2ckj s ALA 845 Ca -0.17 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2ckj s ALA 845 Cb -0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2ckj s ALA 845 CO 0.07 0.28 0.02 1.03 0.00 0.00 0.00 175.76 177.16 2ckj s ARG 846 N -0.58 3.19 0.07 0.00 0.52 -1.14 -1.05 118.95 119.96 2ckj s ARG 846 Ca 0.05 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2ckj s ARG 846 Cb -0.06 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2ckj s ARG 846 CO 0.00 0.63 -0.07 1.52 0.02 0.00 0.00 175.30 177.40 2ckj s TYR 847 N -0.67 0.79 -0.04 -0.53 -0.00 0.82 -1.13 117.35 116.59 2ckj s TYR 847 Ca 0.11 -0.74 0.02 0.00 -0.00 0.00 0.00 57.07 56.46 2ckj s TYR 847 Cb -0.12 -0.46 0.01 0.00 -0.00 0.00 0.00 41.96 41.39 2ckj s TYR 847 CO 0.02 -0.12 -0.08 0.21 -0.00 0.00 0.00 175.55 175.58 2ckj s LYS 848 N -2.85 1.05 -0.06 -3.49 2.20 0.35 -1.64 119.74 115.31 2ckj s LYS 848 Ca 0.02 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 2ckj s LYS 848 Cb -0.01 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.37 2ckj s LYS 848 CO -0.03 0.02 -0.00 0.54 -0.36 0.00 0.00 175.35 175.52 2ckj s VAL 849 N 0.58 0.32 -0.12 4.02 0.11 0.28 -0.68 120.40 124.90 2ckj s VAL 849 Ca -0.09 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2ckj s VAL 849 Cb -0.12 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2ckj s VAL 849 CO 0.01 0.23 0.06 -0.83 -3.33 0.00 0.00 175.10 171.24 2ckj s GLY 850 N 1.63 1.96 -0.02 6.54 0.00 0.13 -2.76 107.32 114.81 2ckj s GLY 850 Ca -0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 2ckj s GLY 850 CO -0.03 -0.36 0.47 -0.11 0.00 0.00 0.00 173.10 173.07 2ckj s PHE 851 N -0.63 -0.39 0.99 1.90 -0.12 -0.66 -1.62 117.98 117.45 2ckj s PHE 851 Ca 0.11 0.61 -0.15 0.00 -0.05 0.00 0.00 56.93 57.46 2ckj s PHE 851 Cb -0.12 0.24 0.18 0.00 -0.63 0.00 0.00 43.02 42.70 2ckj s PHE 851 CO 0.02 -0.51 1.17 -1.64 -0.05 0.00 0.00 175.22 174.22 2ckj s MET 852 N -1.44 0.50 0.05 1.99 -1.94 -0.03 -2.28 119.30 116.17 2ckj s MET 852 Ca -0.11 0.07 0.27 0.00 -1.71 0.00 0.00 55.69 54.20 2ckj s MET 852 Cb -0.03 -1.79 0.82 0.00 2.01 0.00 0.00 34.83 35.85 2ckj s MET 852 CO 0.06 -2.58 1.66 0.36 -0.01 0.00 0.00 175.02 174.50 2ckj n LYS 853 N -3.99 0.09 0.23 2.03 2.85 -1.26 -2.29 118.16 115.82 2ckj n LYS 853 Ca 0.10 0.05 0.08 0.00 -1.05 0.00 0.00 58.31 57.49 2ckj n LYS 853 Cb 0.59 -1.58 0.56 0.00 -0.65 0.00 0.00 35.03 33.95 2ckj n LYS 853 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ckj h THR 854 N 0.00 0.87 0.00 0.58 1.35 -1.98 -3.48 112.91 110.25 2ckj h THR 854 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2ckj h THR 854 Cb 0.58 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2ckj h THR 854 CO 0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2ckj n GLY 855 N -0.62 0.79 3.71 5.82 0.00 -0.97 -4.96 105.19 108.96 2ckj n GLY 855 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2ckj n GLY 855 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 856 N -2.00 3.87 0.11 2.61 2.01 -1.26 -4.78 115.64 116.20 2ckj s THR 856 Ca 0.00 1.33 -0.02 0.00 0.31 0.00 0.00 61.69 63.31 2ckj s THR 856 Cb 0.00 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2ckj s THR 856 CO 0.00 0.09 0.30 0.54 -0.69 0.00 0.00 174.62 174.85 2ckj s VAL 857 N 1.28 5.28 0.00 3.82 0.11 -1.26 -0.85 120.40 128.78 2ckj s VAL 857 Ca 0.60 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2ckj s VAL 857 Cb -0.31 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 2ckj s VAL 857 CO 0.29 0.06 0.00 0.52 -3.33 0.00 0.00 175.10 172.64 2ckj n VAL 858 N 0.09 0.00 -3.69 2.04 0.31 -0.64 -4.79 118.33 111.65 2ckj n VAL 858 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 2ckj n VAL 858 Cb 0.52 -0.57 -0.08 0.00 -0.91 0.00 0.00 33.84 32.80 2ckj n VAL 858 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s ALA 859 N -1.80 -1.09 -0.17 3.52 0.00 -1.16 -4.00 121.76 117.06 2ckj s ALA 859 Ca 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 2ckj s ALA 859 Cb 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2ckj s ALA 859 CO 0.00 -0.28 0.44 -1.17 0.00 0.00 0.00 175.76 174.74 2ckj s LEU 860 N -1.07 0.14 -0.06 0.00 2.96 -0.60 0.17 118.68 120.23 2ckj s LEU 860 Ca -0.11 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2ckj s LEU 860 Cb -0.04 1.48 0.03 0.00 0.50 0.00 0.00 46.19 48.16 2ckj s LEU 860 CO 0.05 -0.17 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.21 2ckj s GLU 861 N 0.69 0.53 -0.02 1.98 2.12 0.14 -0.65 118.70 123.49 2ckj s GLU 861 Ca -0.04 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2ckj s GLU 861 Cb -0.05 -0.81 0.03 0.00 0.26 0.00 0.00 34.13 33.55 2ckj s GLU 861 CO -0.05 -0.23 0.03 0.08 -0.54 0.00 0.00 175.26 174.55 2ckj s VAL 862 N 1.61 -0.04 -0.30 3.70 1.01 0.19 -0.49 120.40 126.07 2ckj s VAL 862 Ca -0.01 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 2ckj s VAL 862 Cb -0.13 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.18 2ckj s VAL 862 CO -0.03 0.08 0.09 -1.81 0.00 0.00 0.00 175.10 173.43 2ckj s ASP 863 N 0.95 5.21 -0.12 3.32 1.01 -0.28 -2.49 116.67 124.27 2ckj s ASP 863 Ca -0.08 -0.71 -0.07 0.00 0.71 0.00 0.00 52.55 52.40 2ckj s ASP 863 Cb -0.12 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2ckj s ASP 863 CO -0.03 -0.20 0.15 -1.00 0.21 0.00 0.00 175.17 174.30 2ckj s HIS 864 N 1.51 3.60 0.12 4.23 3.76 -1.08 -2.89 115.29 124.54 2ckj s HIS 864 Ca 0.03 0.54 -0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2ckj s HIS 864 Cb -0.17 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 2ckj s HIS 864 CO 0.03 0.74 0.20 -0.06 -0.85 0.00 0.00 174.74 174.79 2ckj s PHE 865 N -1.04 0.34 -0.37 1.40 0.40 -0.08 -2.05 117.98 116.58 2ckj s PHE 865 Ca 0.15 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 2ckj s PHE 865 Cb -0.12 -0.12 0.19 0.00 0.51 0.00 0.00 43.02 43.47 2ckj s PHE 865 CO 0.04 -0.60 0.66 0.45 0.70 0.00 0.00 175.22 176.48 2ckj s SER 866 N -2.92 -1.45 -0.28 1.36 0.15 -1.25 0.32 113.70 109.62 2ckj s SER 866 Ca 0.12 -0.50 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 2ckj s SER 866 Cb 0.05 1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 66.20 2ckj s SER 866 CO -0.05 -0.19 1.63 0.21 1.20 0.00 0.00 173.24 176.04 2ckj s ASN 867 N 2.10 6.23 0.03 5.45 3.84 -0.94 -2.57 114.94 129.08 2ckj s ASN 867 Ca 0.15 1.40 -0.03 0.00 0.21 0.00 0.00 52.86 54.59 2ckj s ASN 867 Cb -0.05 -2.53 -0.27 0.00 -0.55 0.00 0.00 41.25 37.85 2ckj s ASN 867 CO -0.12 -1.41 0.95 0.58 -2.79 0.00 0.00 177.10 174.31 2ckj h VAL 868 N 6.39 1.27 0.00 -5.21 2.07 -1.70 -3.40 116.25 115.67 2ckj h VAL 868 Ca -0.33 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.29 2ckj h VAL 868 Cb 1.15 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 2ckj h VAL 868 CO 1.02 0.84 0.00 0.61 0.02 0.00 0.00 177.57 180.06 2ckj n GLY 869 N 1.61 -1.70 2.21 2.17 0.00 -1.25 -0.47 105.19 107.76 2ckj n GLY 869 Ca -0.13 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 2ckj n GLY 869 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 870 N 0.13 3.95 -3.62 1.61 6.94 -0.18 -3.20 115.26 120.89 2ckj n ASN 870 Ca 0.00 -3.59 -0.06 0.00 -0.02 0.00 0.00 54.58 50.91 2ckj n ASN 870 Cb 0.00 -0.84 -0.06 0.00 -2.36 0.00 0.00 39.78 36.52 2ckj n ASN 870 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ckj s THR 871 N -3.32 0.00 0.03 5.53 -1.32 -1.26 -4.89 115.64 110.40 2ckj s THR 871 Ca 0.56 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.77 2ckj s THR 871 Cb 0.47 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 70.31 2ckj s THR 871 CO 0.10 0.00 1.23 -0.61 -2.21 0.00 0.00 174.62 173.13 2ckj h GLN 872 N 2.84 -0.94 0.00 7.08 4.15 -1.94 -3.45 115.11 122.85 2ckj h GLN 872 Ca -0.19 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2ckj h GLN 872 Cb 1.18 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2ckj h GLN 872 CO 0.22 -0.63 0.00 -3.47 -1.93 0.00 0.00 178.83 173.02 2ckj n ASP 873 N -5.03 -1.54 0.00 -0.69 -0.08 -1.26 -3.01 116.55 104.94 2ckj n ASP 873 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2ckj n ASP 873 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2ckj n ASP 873 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ckj n LEU 874 N 0.00 0.00 -0.32 -2.67 4.77 -1.26 -4.49 117.00 113.03 2ckj n LEU 874 Ca 0.00 0.18 0.32 0.00 -0.03 0.00 0.00 56.01 56.49 2ckj n LEU 874 Cb 0.00 -0.18 0.69 0.00 -2.33 0.00 0.00 43.42 41.60 2ckj n LEU 874 CO 0.00 -0.18 1.30 0.28 -1.33 0.00 0.00 177.39 177.45 2ckj h SER 875 N 0.00 0.11 0.27 -1.43 0.02 -1.84 -1.24 113.55 109.44 2ckj h SER 875 Ca 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2ckj h SER 875 Cb 0.52 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2ckj h SER 875 CO 0.00 0.01 -0.13 -0.61 -1.14 0.00 0.00 176.83 174.96 2ckj h GLN 876 N 0.10 -0.36 0.00 3.45 4.15 -1.86 -1.89 115.11 118.70 2ckj h GLN 876 Ca 0.58 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 60.02 2ckj h GLN 876 Cb 2.09 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.86 2ckj h GLN 876 CO -0.09 -0.01 -0.01 0.77 -1.93 0.00 0.00 178.83 177.56 2ckj h SER 877 N -0.86 0.00 0.11 -0.69 0.02 -1.58 -2.81 113.55 107.75 2ckj h SER 877 Ca -0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2ckj h SER 877 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ckj h SER 877 CO 0.06 0.01 -0.05 0.40 -1.14 0.00 0.00 176.83 176.11 2ckj h ILE 878 N 0.00 1.07 -0.88 3.27 2.04 -1.18 -2.11 117.51 119.72 2ckj h ILE 878 Ca -0.00 -0.74 0.19 0.00 1.00 0.00 0.00 64.86 65.31 2ckj h ILE 878 Cb 0.07 1.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.57 2ckj h ILE 878 CO 0.00 0.18 0.40 -0.03 0.00 0.00 0.00 178.15 178.70 2ckj h MET 879 N -0.50 0.46 0.17 2.37 4.05 -1.17 -1.41 114.93 118.90 2ckj h MET 879 Ca -0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2ckj h MET 879 Cb 0.41 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2ckj h MET 879 CO 0.02 0.30 -0.08 0.93 0.23 0.00 0.00 176.91 178.32 2ckj h GLU 880 N 0.47 -0.22 -0.30 0.39 5.08 -1.25 -2.41 114.58 116.35 2ckj h GLU 880 Ca 0.53 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2ckj h GLU 880 Cb 0.92 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2ckj h GLU 880 CO -0.47 -0.01 0.18 -0.09 -1.00 0.00 0.00 179.01 177.62 2ckj h ARG 881 N -0.40 0.39 -0.34 2.33 2.43 -0.83 -1.30 114.38 116.66 2ckj h ARG 881 Ca -0.02 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2ckj h ARG 881 Cb 0.31 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2ckj h ARG 881 CO 0.04 0.28 0.01 0.00 -1.51 0.00 0.00 179.97 178.78 2ckj h ALA 882 N 1.80 0.32 0.56 2.80 0.00 -0.80 -3.23 119.26 120.70 2ckj h ALA 882 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ckj h ALA 882 Cb -0.02 0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ckj h ALA 882 CO -0.02 -0.40 -0.27 -0.07 0.00 0.00 0.00 179.25 178.50 2ckj h LEU 883 N 0.10 -0.63 -0.06 0.00 3.38 -0.86 -2.74 115.31 114.50 2ckj h LEU 883 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ckj h LEU 883 Cb 0.23 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ckj h LEU 883 CO -0.27 -0.36 0.73 -0.26 0.09 0.00 0.00 178.44 178.36 2ckj h PHE 884 N -0.88 0.00 0.00 1.13 0.05 -1.53 -0.50 116.94 115.20 2ckj h PHE 884 Ca -0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2ckj h PHE 884 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 2ckj h PHE 884 CO -0.01 0.00 -0.02 0.72 -0.18 0.00 0.00 178.31 178.82 2ckj n HIS 885 N -1.79 0.00 0.17 -0.55 8.25 -1.04 -4.80 115.22 115.45 2ckj n HIS 885 Ca -0.00 -0.46 0.04 0.00 -0.26 0.00 0.00 57.72 57.03 2ckj n HIS 885 Cb 0.73 -0.05 0.44 0.00 1.12 0.00 0.00 29.99 32.22 2ckj n HIS 885 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ckj h MET 886 N 0.00 0.11 -0.13 -0.41 -0.00 -1.01 -2.48 114.93 111.01 2ckj h MET 886 Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 59.70 59.71 2ckj h MET 886 Cb 0.68 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 2ckj h MET 886 CO 0.00 0.29 0.12 0.38 -0.00 0.00 0.00 176.91 177.70 2ckj h ASP 887 N 0.11 0.00 0.00 -0.10 2.03 -1.87 -3.40 116.42 113.19 2ckj h ASP 887 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2ckj h ASP 887 Cb 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 2ckj h ASP 887 CO 0.02 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.03 2ckj n ASN 888 N -4.08 0.00 -0.42 4.15 5.15 -0.93 -0.64 115.26 118.48 2ckj n ASN 888 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.05 2ckj n ASN 888 Cb 0.24 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.62 2ckj n ASN 888 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ckj s TYR 890 N -2.41 3.07 0.10 0.00 1.51 0.19 -1.98 117.35 117.83 2ckj s TYR 890 Ca 0.30 -0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 55.88 2ckj s TYR 890 Cb 0.29 -2.00 -0.07 0.00 -0.11 0.00 0.00 41.96 40.06 2ckj s TYR 890 CO -0.02 -0.04 0.69 -1.59 -1.11 0.00 0.00 175.55 173.48 2ckj s LYS 891 N 0.48 4.41 -0.38 -0.62 -2.85 -1.15 -4.76 119.74 114.88 2ckj s LYS 891 Ca -0.02 0.97 -0.04 0.00 -1.00 0.00 0.00 55.97 55.88 2ckj s LYS 891 Cb -0.14 -3.27 0.21 0.00 -2.06 0.00 0.00 37.83 32.56 2ckj s LYS 891 CO 0.02 0.54 1.01 -1.50 0.10 0.00 0.00 175.35 175.53 2ckj s ILE 892 N -0.90 -0.37 -1.37 3.79 2.07 -1.26 -4.85 121.20 118.31 2ckj s ILE 892 Ca 0.33 -0.33 0.29 0.00 -1.41 0.00 0.00 60.65 59.54 2ckj s ILE 892 Cb -0.21 0.00 0.43 0.00 0.13 0.00 0.00 42.46 42.81 2ckj s ILE 892 CO 0.23 0.00 1.96 -2.65 -1.91 0.00 0.00 174.94 172.56 2ckj n PRO 893 N 2.80 0.37 -3.63 3.50 -0.02 -1.26 -4.29 135.00 132.48 2ckj n PRO 893 Ca 0.12 -0.05 -0.16 0.00 -2.02 0.00 0.00 63.50 61.40 2ckj n PRO 893 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.47 2ckj n PRO 893 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2ckj s ASN 894 N -2.66 0.71 -0.24 2.55 0.01 -1.25 -3.97 114.94 110.08 2ckj s ASN 894 Ca 0.25 0.33 -0.13 0.00 -0.71 0.00 0.00 52.86 52.61 2ckj s ASN 894 Cb 0.20 0.47 0.08 0.00 0.41 0.00 0.00 41.25 42.41 2ckj s ASN 894 CO 0.49 -0.26 0.59 -0.51 -1.51 0.00 0.00 177.10 175.90 2ckj s ILE 895 N 2.35 -0.17 -0.19 0.60 2.07 -0.77 -1.55 121.20 123.54 2ckj s ILE 895 Ca 0.03 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 2ckj s ILE 895 Cb -0.13 -0.86 0.06 0.00 0.13 0.00 0.00 42.46 41.66 2ckj s ILE 895 CO -0.08 0.02 0.03 -0.60 -1.91 0.00 0.00 174.94 172.39 2ckj s ARG 896 N 1.79 0.74 -0.05 3.50 3.52 0.18 -3.22 118.95 125.40 2ckj s ARG 896 Ca -0.09 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2ckj s ARG 896 Cb -0.07 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.21 2ckj s ARG 896 CO -0.17 -0.62 -0.17 0.20 -0.81 0.00 0.00 175.30 173.73 2ckj s GLY 897 N 1.82 0.94 0.48 8.12 0.00 -0.98 -0.64 107.32 117.06 2ckj s GLY 897 Ca -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.06 2ckj s GLY 897 CO -0.08 -0.27 0.08 -1.30 0.00 0.00 0.00 173.10 171.53 2ckj n THR 898 N 3.30 0.00 -3.65 0.90 -2.24 -1.04 0.48 114.28 112.04 2ckj n THR 898 Ca -0.19 -2.49 -0.03 0.00 -2.27 0.00 0.00 64.05 59.07 2ckj n THR 898 Cb 0.53 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 2ckj n THR 898 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ckj s GLY 899 N -3.76 0.24 0.20 3.38 0.00 -0.52 -2.65 107.32 104.22 2ckj s GLY 899 Ca 0.11 3.23 0.09 0.00 0.00 0.00 0.00 44.72 48.15 2ckj s GLY 899 CO 0.08 1.58 -0.09 0.50 0.00 0.00 0.00 173.10 175.17 2ckj s ARG 900 N -0.42 2.07 -0.56 2.90 1.81 -0.87 -1.76 118.95 122.12 2ckj s ARG 900 Ca 0.08 -1.33 -0.04 0.00 -1.72 0.00 0.00 55.73 52.72 2ckj s ARG 900 Cb -0.03 -2.13 0.14 0.00 -0.45 0.00 0.00 34.95 32.48 2ckj s ARG 900 CO -0.12 0.41 0.38 -0.51 -0.68 0.00 0.00 175.30 174.78 2ckj s LEU 901 N -3.03 5.36 -0.14 2.53 1.43 -1.26 -3.96 118.68 119.61 2ckj s LEU 901 Ca 0.26 -2.51 -0.29 0.00 -1.03 0.00 0.00 54.13 50.56 2ckj s LEU 901 Cb -0.08 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2ckj s LEU 901 CO 0.16 -0.46 1.00 0.00 0.23 0.00 0.00 176.35 177.28 2ckj s LYS 903 N 2.26 4.43 0.15 0.00 2.20 -1.26 -1.89 119.74 125.64 2ckj s LYS 903 Ca 0.47 1.88 -0.14 0.00 -0.36 0.00 0.00 55.97 57.81 2ckj s LYS 903 Cb -0.17 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2ckj s LYS 903 CO 0.15 -0.23 0.39 0.95 -0.36 0.00 0.00 175.35 176.24 2ckj s THR 904 N 0.65 0.06 -0.50 3.43 -4.23 -1.20 -4.73 115.64 109.13 2ckj s THR 904 Ca 0.58 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2ckj s THR 904 Cb -0.32 -1.49 0.08 0.00 1.34 0.00 0.00 72.50 72.11 2ckj s THR 904 CO 0.32 -0.28 2.72 0.59 -0.54 0.00 0.00 174.62 177.43 2ckj n ASN 905 N -0.24 6.57 -4.22 3.99 5.03 -0.03 -2.81 115.26 123.55 2ckj n ASN 905 Ca -0.12 -3.24 -0.22 0.00 0.87 0.00 0.00 54.58 51.87 2ckj n ASN 905 Cb 0.63 -1.23 -0.13 0.00 -1.02 0.00 0.00 39.78 38.03 2ckj n ASN 905 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ckj s LEU 906 N -2.29 2.24 0.49 3.41 1.43 -1.26 -3.74 118.68 118.96 2ckj s LEU 906 Ca 0.58 -0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 2ckj s LEU 906 Cb 0.38 -0.75 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 2ckj s LEU 906 CO -0.23 0.04 1.39 -2.16 0.23 0.00 0.00 176.35 175.61 2ckj s PRO 907 N -1.56 3.43 0.01 1.29 0.04 -1.26 -1.01 135.00 135.94 2ckj s PRO 907 Ca 0.04 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 2ckj s PRO 907 Cb -0.09 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2ckj s PRO 907 CO 0.03 -0.98 1.46 0.45 0.04 0.00 0.00 177.00 177.99 2ckj s SER 908 N -0.74 6.80 0.61 6.66 0.15 -1.26 -4.50 113.70 121.41 2ckj s SER 908 Ca 0.66 2.18 -0.14 0.00 0.70 0.00 0.00 55.95 59.35 2ckj s SER 908 Cb -0.42 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.30 2ckj s SER 908 CO 0.52 -0.76 1.04 0.20 1.20 0.00 0.00 173.24 175.43 2ckj s ASN 909 N 2.04 5.96 0.00 5.45 0.01 0.38 -4.58 114.94 124.20 2ckj s ASN 909 Ca 0.66 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.44 2ckj s ASN 909 Cb -0.33 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 38.83 2ckj s ASN 909 CO 0.27 -1.05 0.00 1.07 -1.51 0.00 0.00 177.10 175.89 2ckj n THR 910 N -2.36 0.00 -2.17 1.60 5.66 -0.41 -4.79 114.28 111.81 2ckj n THR 910 Ca 0.07 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 2ckj n THR 910 Cb 0.54 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 2ckj n THR 910 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ckj s ALA 911 N -1.81 3.59 -0.04 1.79 0.00 -1.26 -4.31 121.76 119.71 2ckj s ALA 911 Ca 0.00 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 2ckj s ALA 911 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.62 2ckj s ALA 911 CO 0.00 -0.61 0.03 0.12 0.00 0.00 0.00 175.76 175.31 2ckj s PHE 912 N 1.00 0.19 0.00 0.00 5.99 -1.26 -2.54 117.98 121.36 2ckj s PHE 912 Ca 0.64 0.12 0.00 0.00 0.00 0.00 0.00 56.93 57.69 2ckj s PHE 912 Cb -0.37 -0.46 0.00 0.00 0.00 0.00 0.00 43.02 42.20 2ckj s PHE 912 CO 0.31 -0.17 0.00 -2.13 -0.00 0.00 0.00 175.22 173.23 2ckj n ARG 913 N 4.80 0.00 0.00 10.12 0.63 -1.02 -1.52 116.66 129.66 2ckj n ARG 913 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2ckj n ARG 913 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 2ckj n ARG 913 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ckj n GLY 914 N 0.00 4.07 2.45 5.14 0.00 -1.26 -4.88 105.19 110.72 2ckj n GLY 914 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2ckj n GLY 914 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 915 N 0.00 -1.52 -0.30 1.61 -0.00 -0.58 -1.77 117.46 114.90 2ckj n PHE 915 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2ckj n PHE 915 Cb 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 39.48 37.03 2ckj n PHE 915 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ckj n GLY 916 N -0.75 0.67 0.25 7.13 0.00 -1.26 -4.50 105.19 106.73 2ckj n GLY 916 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 2ckj n GLY 916 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 917 N 0.00 0.88 2.00 -0.02 0.00 -1.60 -2.59 103.07 101.74 2ckj h GLY 917 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2ckj h GLY 917 CO 0.00 0.34 -0.08 -0.56 0.00 0.00 0.00 176.54 176.25 2ckj h PRO 918 N 0.83 0.00 -6.33 4.80 0.13 -1.84 -3.40 132.00 126.19 2ckj h PRO 918 Ca 0.22 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.80 2ckj h PRO 918 Cb -0.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.05 2ckj h PRO 918 CO -0.04 0.08 0.42 -0.65 -0.23 0.00 0.00 178.00 177.57 2ckj s GLN 919 N -3.85 4.51 0.00 0.86 1.11 -0.98 -4.51 119.66 116.80 2ckj s GLN 919 Ca -0.01 1.38 0.00 0.00 0.01 0.00 0.00 55.36 56.74 2ckj s GLN 919 Cb 0.11 -3.49 0.00 0.00 -1.01 0.00 0.00 33.01 28.62 2ckj s GLN 919 CO 0.55 -0.13 0.00 0.41 0.01 0.00 0.00 175.29 176.13 2ckj n GLY 920 N 2.98 0.00 0.88 3.09 0.00 -1.26 -4.80 105.19 106.09 2ckj n GLY 920 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2ckj n GLY 920 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ckj n MET 921 N 0.00 0.00 0.00 1.61 0.00 -1.06 -4.27 117.12 113.40 2ckj n MET 921 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ckj n MET 921 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 33.22 31.15 2ckj n MET 921 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2ckj n LEU 922 N -0.77 0.00 0.00 -0.89 -0.00 -1.26 -4.69 117.00 109.38 2ckj n LEU 922 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ckj n LEU 922 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2ckj n LEU 922 CO 0.00 0.00 0.04 -0.38 -0.00 0.00 0.00 177.39 177.05 2ckj n ILE 923 N 0.00 0.00 -1.77 1.96 2.08 -1.26 -3.94 119.36 116.43 2ckj n ILE 923 Ca 0.00 0.57 -0.42 0.00 0.56 0.00 0.00 62.75 63.46 2ckj n ILE 923 Cb 0.00 -1.36 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 2ckj n ILE 923 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ckj s ALA 924 N -2.42 3.91 0.00 -1.39 0.00 -1.26 -1.59 121.76 119.01 2ckj s ALA 924 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2ckj s ALA 924 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2ckj s ALA 924 CO 0.00 -0.90 0.00 0.39 0.00 0.00 0.00 175.76 175.25 2ckj n GLU 925 N 3.96 0.00 0.00 0.00 -0.58 -1.26 -2.57 120.64 120.19 2ckj n GLU 925 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2ckj n GLU 925 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 2ckj n GLU 925 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ckj n TRP 927 N -0.56 0.00 0.49 0.00 -0.00 -1.26 -1.48 117.44 114.65 2ckj n TRP 927 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.30 2ckj n TRP 927 Cb 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 31.31 31.20 2ckj n TRP 927 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 2ckj h MET 928 N 0.00 -1.22 0.00 5.87 4.05 -1.81 -1.61 114.93 120.22 2ckj h MET 928 Ca 0.00 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2ckj h MET 928 Cb 0.00 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2ckj h MET 928 CO 0.00 -0.81 0.00 -1.13 0.23 0.00 0.00 176.91 175.20 2ckj n SER 929 N -5.64 0.24 0.07 1.39 3.41 -1.06 -1.38 113.62 110.66 2ckj n SER 929 Ca -0.16 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 58.90 2ckj n SER 929 Cb 0.50 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 2ckj n SER 929 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ckj h GLU 930 N 0.00 0.16 0.04 4.33 5.08 -0.40 -2.79 114.58 120.99 2ckj h GLU 930 Ca 0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2ckj h GLU 930 Cb 0.14 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2ckj h GLU 930 CO 0.00 1.05 -0.02 0.28 -1.00 0.00 0.00 179.01 179.32 2ckj h VAL 931 N 0.04 0.00 -0.94 3.13 2.07 -0.32 -2.21 116.25 118.03 2ckj h VAL 931 Ca -0.15 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.64 2ckj h VAL 931 Cb 1.93 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2ckj h VAL 931 CO 0.16 0.00 1.10 0.00 0.02 0.00 0.00 177.57 178.85 2ckj h ALA 932 N -1.88 2.84 0.10 1.67 0.00 -1.60 -0.99 119.26 119.40 2ckj h ALA 932 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 2ckj h ALA 932 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2ckj h ALA 932 CO 0.01 -1.58 -1.68 0.28 0.00 0.00 0.00 179.25 176.27 2ckj h VAL 933 N 0.00 0.80 -0.28 0.00 2.07 -1.40 -2.79 116.25 114.64 2ckj h VAL 933 Ca 0.45 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.70 2ckj h VAL 933 Cb 2.64 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 34.86 2ckj h VAL 933 CO -0.00 0.72 -0.08 0.74 0.02 0.00 0.00 177.57 178.96 2ckj h THR 934 N -0.26 0.69 -0.25 2.57 2.02 -0.58 -3.03 112.91 114.07 2ckj h THR 934 Ca -0.38 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2ckj h THR 934 Cb 1.81 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2ckj h THR 934 CO 0.02 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.92 2ckj n GLY 936 N -0.37 0.64 0.00 0.00 0.00 -1.05 -5.08 105.19 99.32 2ckj n GLY 936 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2ckj n GLY 936 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ckj n MET 937 N 2.32 0.00 -1.18 1.61 3.85 -1.26 -4.97 117.12 117.49 2ckj n MET 937 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.70 56.31 2ckj n MET 937 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 33.22 32.16 2ckj n MET 937 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2ckj n PRO 938 N 0.00 0.00 0.21 3.17 -0.04 -1.26 -4.75 135.00 132.33 2ckj n PRO 938 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2ckj n PRO 938 Cb 0.00 -0.88 0.34 0.00 -0.04 0.00 0.00 33.50 32.92 2ckj n PRO 938 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ckj h ALA 939 N 0.55 0.94 0.39 0.55 0.00 -1.97 -1.79 119.26 117.92 2ckj h ALA 939 Ca -0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2ckj h ALA 939 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ckj h ALA 939 CO 0.45 0.31 -0.37 1.49 0.00 0.00 0.00 179.25 181.14 2ckj h GLU 940 N 0.00 -0.72 -0.84 0.00 4.22 -1.95 -2.96 114.58 112.32 2ckj h GLU 940 Ca -0.00 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.52 2ckj h GLU 940 Cb 0.91 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2ckj h GLU 940 CO 0.03 -0.48 0.56 1.49 -2.18 0.00 0.00 179.01 178.43 2ckj h GLU 941 N -0.75 1.03 -0.24 1.92 4.81 -1.69 0.95 114.58 120.61 2ckj h GLU 941 Ca -0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2ckj h GLU 941 Cb 0.64 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2ckj h GLU 941 CO -0.03 0.68 0.09 0.28 -0.73 0.00 0.00 179.01 179.30 2ckj h VAL 942 N 1.06 1.17 -0.17 0.32 2.07 -1.52 -1.56 116.25 117.62 2ckj h VAL 942 Ca 0.33 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2ckj h VAL 942 Cb 0.02 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2ckj h VAL 942 CO -0.10 0.18 -0.09 0.03 0.02 0.00 0.00 177.57 177.61 2ckj h ARG 943 N 0.23 0.37 -0.77 1.57 3.08 -0.65 -3.06 114.38 115.15 2ckj h ARG 943 Ca 0.08 -0.17 0.15 0.00 0.07 0.00 0.00 59.98 60.11 2ckj h ARG 943 Cb 0.19 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 2ckj h ARG 943 CO -0.01 0.69 0.30 -0.09 -1.07 0.00 0.00 179.97 179.80 2ckj h ARG 944 N 0.04 0.42 -0.87 0.04 2.43 -1.43 -2.04 114.38 112.96 2ckj h ARG 944 Ca 0.04 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2ckj h ARG 944 Cb 0.58 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 2ckj h ARG 944 CO 0.03 0.28 0.56 -0.22 -1.51 0.00 0.00 179.97 179.11 2ckj h LYS 945 N 0.43 0.76 -1.09 0.20 3.64 -1.17 -2.91 116.57 116.43 2ckj h LYS 945 Ca 0.43 -0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 59.23 2ckj h LYS 945 Cb 0.68 -0.17 -0.42 0.00 -0.41 0.00 0.00 32.23 31.91 2ckj h LYS 945 CO -0.43 0.50 -0.82 0.27 -2.27 0.00 0.00 179.45 176.71 2ckj n ASN 946 N -4.54 4.44 -4.70 4.20 2.04 -0.77 -5.02 115.26 110.92 2ckj n ASN 946 Ca 0.16 -3.58 -0.42 0.00 -0.44 0.00 0.00 54.58 50.29 2ckj n ASN 946 Cb 0.37 -0.41 -0.03 0.00 -2.53 0.00 0.00 39.78 37.18 2ckj n ASN 946 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2ckj s LEU 947 N -3.56 4.31 0.31 -4.53 1.43 -1.10 -2.93 118.68 112.61 2ckj s LEU 947 Ca 0.47 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 55.09 2ckj s LEU 947 Cb 0.40 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 2ckj s LEU 947 CO -0.07 -0.36 -0.13 -1.22 0.23 0.00 0.00 176.35 174.80 2ckj n TYR 948 N 4.45 -1.73 -3.95 0.29 4.01 -0.84 -4.71 117.16 114.69 2ckj n TYR 948 Ca 0.07 0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.92 2ckj n TYR 948 Cb 0.50 -0.84 -0.09 0.00 -0.31 0.00 0.00 39.34 38.60 2ckj n TYR 948 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2ckj s LYS 949 N -0.62 0.69 0.00 -0.72 -2.85 -1.26 -4.96 119.74 110.02 2ckj s LYS 949 Ca 0.28 -0.97 -0.39 0.00 -1.00 0.00 0.00 55.97 53.89 2ckj s LYS 949 Cb -0.22 0.26 -0.19 0.00 -2.06 0.00 0.00 37.83 35.62 2ckj s LYS 949 CO 0.36 -0.18 1.22 -1.91 0.10 0.00 0.00 175.35 174.93 2ckj n GLU 950 N 0.27 0.47 -1.14 1.78 4.07 -1.26 -1.48 120.64 123.35 2ckj n GLU 950 Ca -0.16 0.17 -0.05 0.00 -0.06 0.00 0.00 57.16 57.06 2ckj n GLU 950 Cb 0.61 -1.73 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 2ckj n GLU 950 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ckj n GLY 951 N 2.08 0.75 0.90 8.31 0.00 -0.65 -5.05 105.19 111.53 2ckj n GLY 951 Ca 0.20 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 2ckj n GLY 951 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ckj n ASP 952 N 1.07 -0.34 -3.93 1.61 8.00 -0.55 -4.78 116.55 117.64 2ckj n ASP 952 Ca -0.05 -0.99 -0.19 0.00 0.71 0.00 0.00 54.79 54.28 2ckj n ASP 952 Cb 0.17 -0.24 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 2ckj n ASP 952 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2ckj s LEU 953 N 0.00 1.60 0.71 0.64 0.05 -1.26 -2.53 118.68 117.89 2ckj s LEU 953 Ca 0.18 -0.12 -0.15 0.00 0.05 0.00 0.00 54.13 54.09 2ckj s LEU 953 Cb -0.01 -0.40 -0.13 0.00 -2.05 0.00 0.00 46.19 43.60 2ckj s LEU 953 CO 0.13 0.00 -0.51 0.35 -0.55 0.00 0.00 176.35 175.77 2ckj n THR 954 N 3.59 0.00 0.26 5.48 -2.24 -1.05 -4.76 114.28 115.56 2ckj n THR 954 Ca -0.21 -0.42 0.01 0.00 -2.27 0.00 0.00 64.05 61.17 2ckj n THR 954 Cb 0.53 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 2ckj n THR 954 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n HIS 955 N -1.85 0.00 -0.83 4.78 1.44 -1.26 -0.83 115.22 116.67 2ckj n HIS 955 Ca 0.01 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.75 2ckj n HIS 955 Cb 0.45 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.61 2ckj n HIS 955 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2ckj n PHE 956 N -0.82 0.00 -3.82 -1.40 1.16 -1.26 -4.74 117.46 106.58 2ckj n PHE 956 Ca 0.02 -0.51 -0.26 0.00 -1.87 0.00 0.00 57.45 54.82 2ckj n PHE 956 Cb 0.01 -0.08 0.03 0.00 -1.61 0.00 0.00 39.48 37.83 2ckj n PHE 956 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2ckj n ASN 957 N -0.66 -3.45 -4.82 5.98 3.02 -0.01 -4.58 115.26 110.73 2ckj n ASN 957 Ca 0.05 -0.78 -0.37 0.00 -0.03 0.00 0.00 54.58 53.45 2ckj n ASN 957 Cb 0.49 -4.01 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 2ckj n ASN 957 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 958 N -6.36 3.78 0.06 3.52 0.74 -1.26 -4.79 119.66 115.35 2ckj s GLN 958 Ca 0.40 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 2ckj s GLN 958 Cb -0.20 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.59 2ckj s GLN 958 CO 0.82 0.60 1.08 0.21 -0.55 0.00 0.00 175.29 177.44 2ckj s LYS 959 N -0.56 4.53 -1.08 1.67 2.20 -1.26 -2.53 119.74 122.71 2ckj s LYS 959 Ca 0.15 1.60 -0.21 0.00 -0.36 0.00 0.00 55.97 57.15 2ckj s LYS 959 Cb -0.13 -3.38 0.07 0.00 -1.51 0.00 0.00 37.83 32.88 2ckj s LYS 959 CO 0.04 -0.08 1.48 -0.51 -0.36 0.00 0.00 175.35 175.93 2ckj s LEU 960 N 0.70 3.78 0.44 5.43 1.43 -1.05 -5.02 118.68 124.39 2ckj s LEU 960 Ca 0.54 -1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 51.63 2ckj s LEU 960 Cb -0.26 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 2ckj s LEU 960 CO 0.30 -1.36 0.98 -1.61 0.23 0.00 0.00 176.35 174.89 2ckj s GLU 961 N 4.47 4.12 -0.53 1.70 2.02 -1.26 -1.64 118.70 127.58 2ckj s GLU 961 Ca 0.46 1.23 -0.15 0.00 0.02 0.00 0.00 54.97 56.52 2ckj s GLU 961 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 32.05 2ckj s GLU 961 CO -0.06 -0.14 0.52 0.41 0.02 0.00 0.00 175.26 176.01 2ckj n GLY 962 N -0.40 -0.49 3.47 -1.39 0.00 -1.26 -4.87 105.19 100.26 2ckj n GLY 962 Ca 0.07 0.71 -0.43 0.00 0.00 0.00 0.00 46.02 46.38 2ckj n GLY 962 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 963 N -2.04 3.23 -0.70 1.61 5.36 -1.26 -4.95 117.98 119.23 2ckj s PHE 963 Ca 0.15 -0.49 0.22 0.00 -0.96 0.00 0.00 56.93 55.85 2ckj s PHE 963 Cb -0.02 -2.62 -0.06 0.00 -0.34 0.00 0.00 43.02 39.99 2ckj s PHE 963 CO 0.73 -0.57 0.94 0.25 -1.46 0.00 0.00 175.22 175.11 2ckj n THR 964 N 5.19 0.07 0.07 0.12 -2.24 -1.26 -4.49 114.28 111.74 2ckj n THR 964 Ca -0.11 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2ckj n THR 964 Cb 0.47 0.46 0.38 0.00 -2.10 0.00 0.00 70.33 69.54 2ckj n THR 964 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ckj h LEU 965 N 0.00 0.33 -0.02 3.22 5.85 -1.95 0.12 115.31 122.86 2ckj h LEU 965 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2ckj h LEU 965 Cb 0.67 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2ckj h LEU 965 CO 0.00 0.41 0.00 1.55 -0.34 0.00 0.00 178.44 180.06 2ckj h PRO 966 N 0.34 0.01 -0.97 5.25 0.13 -1.93 -1.11 132.00 133.72 2ckj h PRO 966 Ca 0.08 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.39 2ckj h PRO 966 Cb 0.28 -0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.32 2ckj h PRO 966 CO 0.01 0.01 0.61 -0.09 -0.23 0.00 0.00 178.00 178.31 2ckj h ARG 967 N 0.01 0.63 0.14 0.86 2.43 -1.06 0.46 114.38 117.84 2ckj h ARG 967 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2ckj h ARG 967 Cb 0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2ckj h ARG 967 CO -0.02 0.42 -0.07 0.00 -1.51 0.00 0.00 179.97 178.79 2ckj h TRP 969 N -0.29 -0.43 -1.10 0.00 2.91 0.39 -1.33 115.95 116.09 2ckj h TRP 969 Ca -0.02 0.01 0.34 0.00 1.13 0.00 0.00 58.89 60.34 2ckj h TRP 969 Cb 0.23 0.18 -0.13 0.00 -0.51 0.00 0.00 29.16 28.93 2ckj h TRP 969 CO -0.04 -0.19 0.67 1.49 -1.03 0.00 0.00 178.44 179.35 2ckj h GLU 970 N -0.26 0.28 -0.00 2.65 4.57 -0.25 -0.60 114.58 120.96 2ckj h GLU 970 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ckj h GLU 970 Cb 0.24 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2ckj h GLU 970 CO -0.05 0.18 -0.41 -1.91 -1.18 0.00 0.00 179.01 175.65 2ckj n GLU 971 N -4.83 0.08 -0.07 1.92 2.13 -0.56 -3.90 120.64 115.41 2ckj n GLU 971 Ca 0.31 -0.04 -0.21 0.00 0.66 0.00 0.00 57.16 57.88 2ckj n GLU 971 Cb 1.07 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 31.16 2ckj n GLU 971 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ckj n LEU 973 N -4.26 0.00 0.00 0.00 4.32 -1.14 -1.49 117.00 114.44 2ckj n LEU 973 Ca -0.29 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2ckj n LEU 973 Cb 0.74 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2ckj n LEU 973 CO 0.27 -0.44 0.05 0.00 -1.22 0.00 0.00 177.39 176.05 2ckj n ALA 974 N -1.50 -0.04 -0.01 -1.18 0.00 -1.25 -2.56 120.51 113.96 2ckj n ALA 974 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2ckj n ALA 974 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 2ckj n ALA 974 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 975 N 0.00 -1.05 -1.70 0.00 4.64 -1.66 -2.80 113.55 110.98 2ckj h SER 975 Ca 0.00 0.13 0.52 0.00 -0.47 0.00 0.00 61.79 61.97 2ckj h SER 975 Cb 0.00 0.41 -0.10 0.00 -0.31 0.00 0.00 62.40 62.40 2ckj h SER 975 CO 0.00 -0.29 1.18 -1.54 -0.87 0.00 0.00 176.83 175.31 2ckj n SER 976 N -4.30 0.08 -3.35 4.97 3.41 -0.55 -4.88 113.62 108.99 2ckj n SER 976 Ca -0.04 1.10 -0.34 0.00 -0.26 0.00 0.00 58.87 59.34 2ckj n SER 976 Cb 0.23 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2ckj n SER 976 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj n GLN 977 N -4.14 -1.68 0.16 4.33 10.64 -1.06 -4.94 117.38 120.70 2ckj n GLN 977 Ca 0.42 1.17 -0.07 0.00 -1.83 0.00 0.00 57.00 56.69 2ckj n GLN 977 Cb 1.79 -1.83 -0.03 0.00 -0.86 0.00 0.00 30.24 29.31 2ckj n GLN 977 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 2ckj h TYR 978 N 1.52 -0.41 -2.35 2.61 3.20 -1.83 -3.02 116.97 116.68 2ckj h TYR 978 Ca -0.53 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.80 2ckj h TYR 978 Cb 1.28 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.62 2ckj h TYR 978 CO 0.04 -0.26 1.15 -3.38 -1.64 0.00 0.00 178.16 174.07 2ckj s HIS 979 N -3.25 2.11 0.04 -3.82 -3.43 -1.26 0.55 115.29 106.23 2ckj s HIS 979 Ca -0.06 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 2ckj s HIS 979 Cb 0.01 -4.43 0.00 0.00 -1.43 0.00 0.00 32.58 26.73 2ckj s HIS 979 CO 0.19 -2.12 0.00 0.00 -2.00 0.00 0.00 174.74 170.81 2ckj n ALA 980 N 10.35 3.00 0.00 -1.38 0.00 -1.14 -4.92 120.51 126.42 2ckj n ALA 980 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ckj n ALA 980 Cb 0.50 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2ckj n ALA 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ckj n ARG 981 N -2.84 0.00 -0.24 0.00 1.74 -1.17 0.22 116.66 114.37 2ckj n ARG 981 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2ckj n ARG 981 Cb 0.15 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.52 2ckj n ARG 981 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ckj h LYS 982 N 0.00 -0.10 -0.47 5.56 1.63 -0.17 -0.76 116.57 122.26 2ckj h LYS 982 Ca 0.00 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2ckj h LYS 982 Cb 0.00 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 2ckj h LYS 982 CO 0.00 -0.07 -0.52 1.03 -3.45 0.00 0.00 179.45 176.45 2ckj h SER 983 N -0.10 -1.76 -0.05 4.20 0.87 0.23 0.14 113.55 117.08 2ckj h SER 983 Ca 0.10 0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2ckj h SER 983 Cb 0.35 0.73 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ckj h SER 983 CO -0.61 -0.34 0.55 -0.08 -0.53 0.00 0.00 176.83 175.82 2ckj h GLU 984 N -0.30 0.00 0.00 2.24 4.81 -0.85 -2.35 114.58 118.13 2ckj h GLU 984 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2ckj h GLU 984 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2ckj h GLU 984 CO -0.60 0.00 0.00 0.28 -0.73 0.00 0.00 179.01 177.96 2ckj n VAL 985 N -2.83 0.00 -1.95 0.32 0.31 0.48 -3.17 118.33 111.49 2ckj n VAL 985 Ca -0.00 0.44 -0.42 0.00 -0.01 0.00 0.00 64.34 64.34 2ckj n VAL 985 Cb 0.60 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 2ckj n VAL 985 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2ckj s ASP 986 N -1.93 6.42 0.00 4.52 1.01 -0.88 0.12 116.67 125.93 2ckj s ASP 986 Ca 0.00 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.33 2ckj s ASP 986 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2ckj s ASP 986 CO 0.00 -1.16 0.00 1.17 0.21 0.00 0.00 175.17 175.39 2ckj n LYS 987 N 7.53 0.00 -0.23 8.23 3.00 -1.26 -4.70 118.16 130.73 2ckj n LYS 987 Ca 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.45 2ckj n LYS 987 Cb 0.44 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.51 2ckj n LYS 987 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2ckj h PHE 988 N 0.00 0.84 -0.84 5.64 3.57 0.98 -2.28 116.94 124.86 2ckj h PHE 988 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ckj h PHE 988 Cb 0.00 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 2ckj h PHE 988 CO 0.00 0.55 0.55 -0.91 -2.23 0.00 0.00 178.31 176.28 2ckj h ASN 989 N 0.89 0.95 0.02 0.41 2.35 -1.58 -2.74 115.58 115.88 2ckj h ASN 989 Ca 0.24 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2ckj h ASN 989 Cb -0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2ckj h ASN 989 CO -0.05 0.68 -0.03 0.50 -1.65 0.00 0.00 177.43 176.88 2ckj h LYS 990 N 1.12 -0.06 0.00 0.81 3.64 -1.78 -3.21 116.57 117.08 2ckj h LYS 990 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2ckj h LYS 990 Cb -0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2ckj h LYS 990 CO -0.08 -0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.45 2ckj n GLU 991 N -5.13 0.42 -4.53 1.90 1.02 -0.87 -4.89 120.64 108.55 2ckj n GLU 991 Ca -0.07 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 2ckj n GLU 991 Cb 0.07 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 2ckj n GLU 991 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2ckj s ASN 992 N -2.34 1.61 -0.17 1.62 0.01 -1.05 -4.96 114.94 109.66 2ckj s ASN 992 Ca 0.23 -0.31 0.13 0.00 -0.71 0.00 0.00 52.86 52.20 2ckj s ASN 992 Cb 0.13 -0.15 -0.20 0.00 0.41 0.00 0.00 41.25 41.44 2ckj s ASN 992 CO 0.27 0.12 0.02 0.00 -1.51 0.00 0.00 177.10 176.01 2ckj n TRP 994 N -2.69 0.00 -4.33 0.00 5.03 -1.26 -4.97 117.44 109.23 2ckj n TRP 994 Ca -0.29 0.00 -0.20 0.00 3.03 0.00 0.00 57.50 60.04 2ckj n TRP 994 Cb 1.02 0.00 -0.13 0.00 -1.03 0.00 0.00 31.31 31.17 2ckj n TRP 994 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 2ckj s LYS 995 N -0.23 0.93 0.03 -0.99 1.02 -1.26 -2.59 119.74 116.66 2ckj s LYS 995 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 2ckj s LYS 995 Cb 0.00 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.36 2ckj s LYS 995 CO 0.00 0.23 0.20 0.15 -0.92 0.00 0.00 175.35 175.01 2ckj s LYS 996 N -1.27 0.66 0.26 1.68 -0.14 -1.09 -4.73 119.74 115.10 2ckj s LYS 996 Ca 0.01 -0.56 0.11 0.00 -1.36 0.00 0.00 55.97 54.17 2ckj s LYS 996 Cb -0.08 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.29 2ckj s LYS 996 CO 0.02 -0.18 -0.18 1.03 -0.76 0.00 0.00 175.35 175.27 2ckj s ARG 997 N -2.27 1.57 -0.08 1.68 0.52 -1.26 -0.70 118.95 118.41 2ckj s ARG 997 Ca -0.07 -1.72 -0.15 0.00 -0.52 0.00 0.00 55.73 53.27 2ckj s ARG 997 Cb -0.02 -1.56 0.03 0.00 0.52 0.00 0.00 34.95 33.92 2ckj s ARG 997 CO -0.02 0.28 0.37 0.20 0.02 0.00 0.00 175.30 176.15 2ckj s GLY 998 N -3.45 -0.25 0.06 -3.53 0.00 -0.01 -4.34 107.32 95.81 2ckj s GLY 998 Ca 0.28 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.80 2ckj s GLY 998 CO 0.12 0.58 -0.10 -2.27 0.00 0.00 0.00 173.10 171.44 2ckj s LEU 999 N -0.53 2.30 0.07 0.66 2.96 -1.26 -0.41 118.68 122.47 2ckj s LEU 999 Ca -0.06 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 2ckj s LEU 999 Cb -0.04 -0.29 0.08 0.00 0.50 0.00 0.00 46.19 46.45 2ckj s LEU 999 CO 0.03 -0.19 0.83 0.00 -1.32 0.00 0.00 176.35 175.71 2ckj s ILE 1001N -3.32 -0.08 -0.00 0.00 1.10 -1.26 -1.21 121.20 116.42 2ckj s ILE 1001Ca 0.06 0.34 0.03 0.00 -0.51 0.00 0.00 60.65 60.56 2ckj s ILE 1001Cb -0.01 -0.13 -0.01 0.00 0.15 0.00 0.00 42.46 42.46 2ckj s ILE 1001CO -0.07 0.14 -0.09 -0.63 -2.11 0.00 0.00 174.94 172.19 2ckj s ILE 1002N 1.70 0.69 0.50 2.00 1.09 -0.92 -4.99 121.20 121.27 2ckj s ILE 1002Ca -0.01 -0.42 0.09 0.00 -1.10 0.00 0.00 60.65 59.21 2ckj s ILE 1002Cb -0.12 -0.59 0.05 0.00 -1.06 0.00 0.00 42.46 40.73 2ckj s ILE 1002CO -0.03 0.17 0.67 -2.16 -0.10 0.00 0.00 174.94 173.49 2ckj s PRO 1003N -0.29 2.54 -0.19 2.79 0.04 -1.26 -1.43 135.00 137.20 2ckj s PRO 1003Ca 0.03 -1.48 -0.28 0.00 0.04 0.00 0.00 61.00 59.31 2ckj s PRO 1003Cb -0.04 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 31.95 2ckj s PRO 1003CO -0.00 -0.58 0.93 -0.08 0.04 0.00 0.00 177.00 177.32 2ckj s THR 1004N -2.53 0.00 -0.05 1.26 -1.32 -0.95 -4.92 115.64 107.13 2ckj s THR 1004Ca 0.58 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.02 2ckj s THR 1004Cb -0.07 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.94 2ckj s THR 1004CO 0.35 0.00 0.13 -1.59 -2.21 0.00 0.00 174.62 171.30 2ckj s LYS 1005N -0.55 0.12 -0.07 7.08 -2.85 -1.26 -2.74 119.74 119.47 2ckj s LYS 1005Ca -0.01 0.25 -0.01 0.00 -1.00 0.00 0.00 55.97 55.20 2ckj s LYS 1005Cb -0.02 -0.04 0.03 0.00 -2.06 0.00 0.00 37.83 35.73 2ckj s LYS 1005CO 0.00 -0.08 -0.02 0.12 0.10 0.00 0.00 175.35 175.47 2ckj s PHE 1006N 0.54 0.81 0.19 1.78 5.36 -0.37 -4.93 117.98 121.35 2ckj s PHE 1006Ca -0.04 -0.26 -0.30 0.00 -0.96 0.00 0.00 56.93 55.37 2ckj s PHE 1006Cb -0.05 -0.83 -0.08 0.00 -0.34 0.00 0.00 43.02 41.72 2ckj s PHE 1006CO -0.02 -0.32 1.11 0.20 -1.46 0.00 0.00 175.22 174.72 2ckj s GLY 1007N 1.67 2.86 -0.28 13.12 0.00 -1.26 -2.06 107.32 121.37 2ckj s GLY 1007Ca 0.01 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.47 2ckj s GLY 1007CO -0.04 1.65 0.13 -0.42 0.00 0.00 0.00 173.10 174.42 2ckj s ILE 1008N -0.31 4.68 0.00 0.90 1.09 -0.75 -4.92 121.20 121.89 2ckj s ILE 1008Ca 0.49 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 2ckj s ILE 1008Cb -0.30 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 2ckj s ILE 1008CO 0.36 0.21 0.00 -1.20 -0.10 0.00 0.00 174.94 174.21 2ckj n SER 1009N 4.98 0.00 -4.77 3.58 7.64 -1.26 -2.23 113.62 121.56 2ckj n SER 1009Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2ckj n SER 1009Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 2ckj n SER 1009CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckj s PHE 1010N -2.00 2.66 -0.02 1.43 0.40 -1.26 -4.97 117.98 114.22 2ckj s PHE 1010Ca 0.00 1.06 -0.25 0.00 -0.60 0.00 0.00 56.93 57.14 2ckj s PHE 1010Cb 0.00 -4.02 -0.19 0.00 0.51 0.00 0.00 43.02 39.32 2ckj s PHE 1010CO 0.00 -3.12 1.23 1.79 0.70 0.00 0.00 175.22 175.82 2ckj h THR 1011N 3.11 1.22 -1.03 0.64 1.35 -1.98 -3.40 112.91 112.81 2ckj h THR 1011Ca -0.50 -1.04 -0.77 0.00 -0.55 0.00 0.00 66.41 63.55 2ckj h THR 1011Cb 1.23 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2ckj h THR 1011CO 0.69 0.26 1.01 0.52 -0.25 0.00 0.00 175.52 177.75 2ckj n VAL 1012N -4.91 0.15 0.12 6.82 0.31 -1.26 -4.85 118.33 114.71 2ckj n VAL 1012Ca -0.08 -0.06 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 2ckj n VAL 1012Cb 0.25 -0.96 0.19 0.00 -0.91 0.00 0.00 33.84 32.41 2ckj n VAL 1012CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2ckj h PRO 1013N 7.81 0.12 0.00 5.55 0.13 -1.94 -3.19 132.00 140.48 2ckj h PRO 1013Ca -0.36 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ckj h PRO 1013Cb 1.35 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2ckj h PRO 1013CO 1.00 0.63 0.00 1.97 -0.23 0.00 0.00 178.00 181.37 2ckj n PHE 1014N -3.91 0.00 1.14 1.56 1.16 -1.26 -2.34 117.46 113.81 2ckj n PHE 1014Ca -0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 2ckj n PHE 1014Cb 0.56 0.00 0.38 0.00 -1.61 0.00 0.00 39.48 38.81 2ckj n PHE 1014CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2ckj n LEU 1015N -0.98 0.62 -3.48 5.98 4.77 -1.21 -4.43 117.00 118.28 2ckj n LEU 1015Ca 0.11 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 2ckj n LEU 1015Cb 0.05 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2ckj n LEU 1015CO 0.08 0.13 3.12 0.59 -1.33 0.00 0.00 177.39 179.98 2ckj n ASN 1016N -1.14 6.79 -3.94 -1.43 3.02 -0.99 -4.82 115.26 112.75 2ckj n ASN 1016Ca 0.09 -2.68 -0.10 0.00 -0.03 0.00 0.00 54.58 51.87 2ckj n ASN 1016Cb 0.33 -1.60 -0.11 0.00 -0.61 0.00 0.00 39.78 37.79 2ckj n ASN 1016CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj s GLN 1017N 2.60 0.33 0.01 3.52 -2.07 -1.26 -1.56 119.66 121.23 2ckj s GLN 1017Ca 0.61 -0.49 -0.00 0.00 -1.82 0.00 0.00 55.36 53.65 2ckj s GLN 1017Cb 0.16 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2ckj s GLN 1017CO -0.07 -0.06 0.02 0.00 -1.32 0.00 0.00 175.29 173.86 2ckj n ALA 1018N 1.70 -0.02 -3.55 2.60 0.00 -1.14 -4.60 120.51 115.50 2ckj n ALA 1018Ca -0.23 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 2ckj n ALA 1018Cb 0.56 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2ckj n ALA 1018CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ckj s GLY 1019N -1.08 -0.48 0.14 0.00 0.00 -1.26 -1.89 107.32 102.74 2ckj s GLY 1019Ca 0.01 1.62 -0.00 0.00 0.00 0.00 0.00 44.72 46.35 2ckj s GLY 1019CO 0.01 1.10 0.03 0.00 0.00 0.00 0.00 173.10 174.23 2ckj s ALA 1020N -0.95 1.00 -0.03 3.20 0.00 0.21 -1.26 121.76 123.92 2ckj s ALA 1020Ca -0.07 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 2ckj s ALA 1020Cb -0.01 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2ckj s ALA 1020CO 0.06 -0.42 0.07 -1.17 0.00 0.00 0.00 175.76 174.30 2ckj s LEU 1021N -3.08 1.16 -0.11 0.00 2.96 0.67 -2.15 118.68 118.14 2ckj s LEU 1021Ca 0.23 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2ckj s LEU 1021Cb 0.07 0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.93 2ckj s LEU 1021CO 0.02 -0.10 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.63 2ckj s LEU 1022N 0.81 1.34 -0.10 -0.68 2.96 -0.23 -1.15 118.68 121.63 2ckj s LEU 1022Ca -0.06 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2ckj s LEU 1022Cb -0.09 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 2ckj s LEU 1022CO -0.03 -0.09 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.79 2ckj s HIS 1023N 1.53 2.81 -0.30 5.38 3.76 -1.11 -2.02 115.29 125.33 2ckj s HIS 1023Ca 0.02 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 2ckj s HIS 1023Cb -0.13 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.81 2ckj s HIS 1023CO -0.07 -0.01 0.07 0.08 -0.85 0.00 0.00 174.74 173.97 2ckj s VAL 1024N -0.13 3.84 0.50 -0.90 1.01 -0.46 0.38 120.40 124.64 2ckj s VAL 1024Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2ckj s VAL 1024Cb -0.13 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2ckj s VAL 1024CO 0.03 0.03 0.89 -0.31 0.00 0.00 0.00 175.10 175.75 2ckj s TYR 1025N 1.46 3.52 -1.43 5.22 1.51 -0.62 -4.82 117.35 122.20 2ckj s TYR 1025Ca 0.01 1.17 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 2ckj s TYR 1025Cb -0.18 -2.58 0.15 0.00 -0.11 0.00 0.00 41.96 39.24 2ckj s TYR 1025CO 0.02 -0.35 0.91 0.25 -1.11 0.00 0.00 175.55 175.27 2ckj n THR 1026N -1.90 1.04 0.91 -0.71 -2.24 -1.26 -1.67 114.28 108.45 2ckj n THR 1026Ca 0.04 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 2ckj n THR 1026Cb 0.54 -1.21 0.07 0.00 -2.10 0.00 0.00 70.33 67.63 2ckj n THR 1026CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ckj n ASP 1027N -1.29 2.58 0.00 3.42 3.85 -1.26 -4.63 116.55 119.23 2ckj n ASP 1027Ca 0.01 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 2ckj n ASP 1027Cb 0.02 0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 2ckj n ASP 1027CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ckj n GLY 1028N 1.26 1.56 3.78 6.12 0.00 -0.67 -4.95 105.19 112.29 2ckj n GLY 1028Ca 0.12 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 1028CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 1029N -0.56 7.07 0.02 1.61 1.04 -1.26 -4.78 113.70 116.84 2ckj s SER 1029Ca 0.00 1.93 0.02 0.00 0.48 0.00 0.00 55.95 58.38 2ckj s SER 1029Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2ckj s SER 1029CO 0.00 -0.26 0.00 -0.69 0.98 0.00 0.00 173.24 173.27 2ckj s VAL 1030N -1.65 4.14 -0.29 5.02 1.01 -1.13 -1.58 120.40 125.91 2ckj s VAL 1030Ca 0.54 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2ckj s VAL 1030Cb -0.20 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.39 2ckj s VAL 1030CO 0.25 0.32 0.02 -0.22 0.00 0.00 0.00 175.10 175.48 2ckj s LEU 1031N -1.73 3.16 -0.07 3.92 2.96 0.16 -1.81 118.68 125.26 2ckj s LEU 1031Ca 0.21 -1.62 -0.05 0.00 -0.22 0.00 0.00 54.13 52.45 2ckj s LEU 1031Cb -0.12 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2ckj s LEU 1031CO 0.12 -0.33 0.14 -0.76 -1.32 0.00 0.00 176.35 174.20 2ckj s LEU 1032N 1.31 4.32 -0.03 -0.68 1.43 -0.09 -2.74 118.68 122.19 2ckj s LEU 1032Ca 0.04 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2ckj s LEU 1032Cb -0.18 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2ckj s LEU 1032CO -0.12 0.35 0.19 0.28 0.23 0.00 0.00 176.35 177.28 2ckj s THR 1033N -1.13 0.04 0.05 5.49 -1.32 -0.30 -4.15 115.64 114.32 2ckj s THR 1033Ca 0.20 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.31 2ckj s THR 1033Cb -0.12 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 2ckj s THR 1033CO 0.09 -0.20 -0.03 -1.38 -2.21 0.00 0.00 174.62 170.90 2ckj s HIS 1034N -0.71 0.48 0.40 9.09 -3.43 -1.26 -0.24 115.29 119.62 2ckj s HIS 1034Ca -0.08 -1.00 0.30 0.00 -0.80 0.00 0.00 55.06 53.49 2ckj s HIS 1034Cb -0.05 -0.36 1.66 0.00 -1.43 0.00 0.00 32.58 32.40 2ckj s HIS 1034CO 0.01 -0.36 1.92 0.78 -2.00 0.00 0.00 174.74 175.09 2ckj h GLY 1035N 3.32 0.00 -2.89 -1.38 0.00 -1.53 -3.45 103.07 97.14 2ckj h GLY 1035Ca -0.34 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 2ckj h GLY 1035CO 0.63 0.00 -0.36 -0.32 0.00 0.00 0.00 176.54 176.49 2ckj s GLY 1036N -3.74 1.50 0.09 4.60 0.00 -1.26 -4.91 107.32 103.60 2ckj s GLY 1036Ca -0.03 -1.40 0.10 0.00 0.00 0.00 0.00 44.72 43.38 2ckj s GLY 1036CO 0.28 -1.35 -0.25 -0.51 0.00 0.00 0.00 173.10 171.27 2ckj s THR 1037N -2.13 2.32 -0.39 0.90 -4.23 -1.26 -4.88 115.64 105.97 2ckj s THR 1037Ca 0.42 -1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 59.12 2ckj s THR 1037Cb -0.09 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2ckj s THR 1037CO 0.31 0.22 0.93 -0.70 -0.54 0.00 0.00 174.62 174.83 2ckj s GLU 1038N -1.71 3.79 -0.29 3.99 2.56 -1.26 -4.90 118.70 120.89 2ckj s GLU 1038Ca 0.14 0.52 0.12 0.00 0.00 0.00 0.00 54.97 55.74 2ckj s GLU 1038Cb -0.10 -3.82 0.73 0.00 2.00 0.00 0.00 34.13 32.93 2ckj s GLU 1038CO 0.05 -1.00 1.73 -1.33 -0.56 0.00 0.00 175.26 174.15 2ckj n MET 1039N 6.87 3.81 -2.44 4.30 2.81 -1.26 -2.43 117.12 128.77 2ckj n MET 1039Ca 0.07 -3.09 -0.02 0.00 -1.81 0.00 0.00 57.70 52.85 2ckj n MET 1039Cb 0.48 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 2ckj n MET 1039CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ckj n GLY 1040N -0.08 -2.88 0.00 3.03 0.00 -1.26 -3.79 105.19 100.21 2ckj n GLY 1040Ca 0.35 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2ckj n GLY 1040CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLN 1041N 0.19 0.00 -1.03 1.61 0.00 -1.26 -3.61 117.38 113.28 2ckj n GLN 1041Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.03 2ckj n GLN 1041Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.37 2ckj n GLN 1041CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ckj n GLY 1042N 0.00 0.49 0.23 2.61 0.00 -1.26 -4.92 105.19 102.34 2ckj n GLY 1042Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2ckj n GLY 1042CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ckj h LEU 1043N 0.00 -0.60 -0.18 0.99 5.85 -1.97 0.50 115.31 119.90 2ckj h LEU 1043Ca -0.02 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2ckj h LEU 1043Cb 0.14 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2ckj h LEU 1043CO 0.03 -0.20 0.06 0.45 -0.34 0.00 0.00 178.44 178.43 2ckj h HIS 1044N -0.06 0.30 -0.29 1.25 3.86 -1.95 1.02 115.15 119.27 2ckj h HIS 1044Ca 0.23 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2ckj h HIS 1044Cb 0.41 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2ckj h HIS 1044CO -0.45 0.39 0.07 1.15 0.86 0.00 0.00 177.93 179.95 2ckj h THR 1045N 0.12 1.14 -0.11 2.45 2.02 -1.56 0.66 112.91 117.63 2ckj h THR 1045Ca 0.06 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.61 2ckj h THR 1045Cb 0.23 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2ckj h THR 1045CO -0.00 0.17 -0.50 0.11 0.37 0.00 0.00 175.52 175.67 2ckj h LYS 1046N 0.41 0.54 -0.62 6.66 1.57 0.18 -3.08 116.57 122.23 2ckj h LYS 1046Ca 0.10 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2ckj h LYS 1046Cb 0.16 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2ckj h LYS 1046CO -0.00 1.06 0.41 0.52 -0.57 0.00 0.00 179.45 180.86 2ckj h MET 1047N 0.15 0.81 -0.25 3.15 2.86 0.38 -1.86 114.93 120.17 2ckj h MET 1047Ca -0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2ckj h MET 1047Cb 1.14 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2ckj h MET 1047CO 0.10 0.54 0.12 0.28 1.06 0.00 0.00 176.91 179.01 2ckj h VAL 1048N 0.84 1.15 -0.40 -2.22 2.07 0.08 -2.61 116.25 115.15 2ckj h VAL 1048Ca 0.23 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2ckj h VAL 1048Cb -0.09 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 2ckj h VAL 1048CO -0.05 0.15 -0.26 1.56 0.02 0.00 0.00 177.57 178.99 2ckj h GLN 1049N 0.27 -0.18 0.00 1.57 4.20 -1.25 -1.84 115.11 117.88 2ckj h GLN 1049Ca 0.09 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2ckj h GLN 1049Cb 0.12 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2ckj h GLN 1049CO -0.01 -0.12 0.00 0.28 -0.67 0.00 0.00 178.83 178.31 2ckj n VAL 1050N -5.40 0.00 0.27 -0.54 0.31 -1.00 -1.63 118.33 110.34 2ckj n VAL 1050Ca 0.02 1.44 0.18 0.00 -0.01 0.00 0.00 64.34 65.96 2ckj n VAL 1050Cb 0.32 -2.32 0.86 0.00 -0.91 0.00 0.00 33.84 31.79 2ckj n VAL 1050CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj h ALA 1051N -1.79 1.50 -0.36 3.52 0.00 -1.18 0.94 119.26 121.90 2ckj h ALA 1051Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2ckj h ALA 1051Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ckj h ALA 1051CO 0.00 -0.34 -0.41 1.03 0.00 0.00 0.00 179.25 179.53 2ckj h SER 1052N 0.00 0.96 0.37 0.00 0.87 -1.14 -2.55 113.55 112.07 2ckj h SER 1052Ca 0.05 -0.45 -0.17 0.00 -1.23 0.00 0.00 61.79 59.98 2ckj h SER 1052Cb 0.62 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2ckj h SER 1052CO -0.00 1.24 -0.72 -0.09 -0.53 0.00 0.00 176.83 176.73 2ckj h ARG 1053N 0.72 0.30 -0.14 2.24 2.43 0.18 0.13 114.38 120.24 2ckj h ARG 1053Ca 0.05 -0.25 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 2ckj h ARG 1053Cb 1.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2ckj h ARG 1053CO 0.10 0.90 -0.62 0.00 -1.51 0.00 0.00 179.97 178.84 2ckj h ALA 1054N 1.03 0.67 0.00 2.80 0.00 -1.25 -3.15 119.26 119.36 2ckj h ALA 1054Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2ckj h ALA 1054Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ckj h ALA 1054CO 0.12 0.71 -0.96 1.28 0.00 0.00 0.00 179.25 180.40 2ckj n LEU 1055N -3.91 0.73 -2.29 0.00 4.32 -0.96 -4.95 117.00 109.93 2ckj n LEU 1055Ca -0.04 -0.25 -0.14 0.00 -0.02 0.00 0.00 56.01 55.57 2ckj n LEU 1055Cb 0.64 -0.08 0.05 0.00 -1.62 0.00 0.00 43.42 42.41 2ckj n LEU 1055CO 0.47 0.16 0.14 0.29 -1.22 0.00 0.00 177.39 177.23 2ckj n LYS 1056N -1.65 -4.58 -4.42 3.23 5.02 -0.00 -5.03 118.16 110.74 2ckj n LYS 1056Ca 0.03 0.48 -0.21 0.00 -2.02 0.00 0.00 58.31 56.59 2ckj n LYS 1056Cb 0.37 -4.45 -0.10 0.00 -0.02 0.00 0.00 35.03 30.82 2ckj n LYS 1056CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ckj s ILE 1057N -3.19 1.78 0.27 -0.18 -4.36 -0.97 -5.06 121.20 109.50 2ckj s ILE 1057Ca 0.32 -2.18 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 2ckj s ILE 1057Cb -0.14 -2.34 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 2ckj s ILE 1057CO 0.42 -0.38 1.11 -2.16 0.24 0.00 0.00 174.94 174.17 2ckj s PRO 1058N -3.68 4.62 0.15 0.37 0.05 -1.26 -4.59 135.00 130.66 2ckj s PRO 1058Ca 0.28 1.82 -0.04 0.00 0.05 0.00 0.00 61.00 63.11 2ckj s PRO 1058Cb 0.02 -3.19 0.25 0.00 0.05 0.00 0.00 34.50 31.63 2ckj s PRO 1058CO 0.11 0.18 0.82 -2.37 0.05 0.00 0.00 177.00 175.79 2ckj n THR 1059N 1.28 -0.22 0.28 1.26 5.66 -1.26 -0.91 114.28 120.37 2ckj n THR 1059Ca -0.01 1.20 0.12 0.00 -3.05 0.00 0.00 64.05 62.31 2ckj n THR 1059Cb 0.45 -1.66 0.55 0.00 -1.55 0.00 0.00 70.33 68.11 2ckj n THR 1059CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2ckj h SER 1060N 0.00 0.00 -0.01 1.09 4.64 -1.97 -2.93 113.55 114.37 2ckj h SER 1060Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2ckj h SER 1060Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2ckj h SER 1060CO -0.54 0.00 -0.64 0.29 -0.87 0.00 0.00 176.83 175.07 2ckj n LYS 1061N -2.87 1.01 -4.06 4.77 5.02 -0.08 -4.89 118.16 117.05 2ckj n LYS 1061Ca 0.01 -0.55 -0.35 0.00 -2.02 0.00 0.00 58.31 55.40 2ckj n LYS 1061Cb 0.65 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 34.13 2ckj n LYS 1061CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ckj s ILE 1062N -2.54 4.36 0.03 -0.18 1.01 -1.11 -2.83 121.20 119.95 2ckj s ILE 1062Ca 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.67 2ckj s ILE 1062Cb 0.16 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2ckj s ILE 1062CO 0.64 0.44 -0.17 -0.47 0.00 0.00 0.00 174.94 175.37 2ckj s TYR 1063N 0.71 2.58 -0.07 3.97 5.04 -0.75 -5.01 117.35 123.83 2ckj s TYR 1063Ca 0.02 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.44 2ckj s TYR 1063Cb -0.14 -1.48 -0.02 0.00 0.35 0.00 0.00 41.96 40.67 2ckj s TYR 1063CO 0.02 0.25 -0.17 0.42 -1.34 0.00 0.00 175.55 174.73 2ckj s ILE 1064N -0.91 2.78 -0.15 3.14 1.01 -1.26 -0.92 121.20 124.89 2ckj s ILE 1064Ca 0.14 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2ckj s ILE 1064Cb -0.11 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 2ckj s ILE 1064CO 0.05 0.57 -0.20 -0.24 0.00 0.00 0.00 174.94 175.12 2ckj n SER 1065N 2.72 1.11 -3.64 3.58 2.88 -1.26 -5.02 113.62 113.99 2ckj n SER 1065Ca -0.17 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.48 2ckj n SER 1065Cb 0.52 -0.46 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 2ckj n SER 1065CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2ckj s GLU 1066N -2.29 1.87 -0.16 -1.46 -1.05 -1.26 -4.96 118.70 109.38 2ckj s GLU 1066Ca -0.21 -1.14 -0.04 0.00 -0.15 0.00 0.00 54.97 53.43 2ckj s GLU 1066Cb 0.08 0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 34.34 2ckj s GLU 1066CO 0.27 -0.85 -0.04 0.99 0.95 0.00 0.00 175.26 176.58 2ckj s THR 1067N -3.53 3.83 0.11 1.83 2.01 -0.91 -4.87 115.64 114.12 2ckj s THR 1067Ca 0.14 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2ckj s THR 1067Cb -0.05 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2ckj s THR 1067CO 0.09 0.48 0.14 -0.55 -0.69 0.00 0.00 174.62 174.09 2ckj s SER 1068N 0.50 0.22 -0.77 3.53 0.15 -1.26 -1.40 113.70 114.67 2ckj s SER 1068Ca -0.03 -0.93 -0.02 0.00 0.70 0.00 0.00 55.95 55.67 2ckj s SER 1068Cb -0.14 0.33 0.39 0.00 -1.71 0.00 0.00 66.02 64.89 2ckj s SER 1068CO 0.03 -0.75 2.04 0.35 1.20 0.00 0.00 173.24 176.10 2ckj n THR 1069N -0.08 3.62 -1.30 6.45 -2.24 -1.17 -2.92 114.28 116.63 2ckj n THR 1069Ca -0.10 -3.68 0.00 0.00 -2.27 0.00 0.00 64.05 58.00 2ckj n THR 1069Cb 0.63 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2ckj n THR 1069CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ckj n ASN 1070N -0.70 0.00 -0.09 3.42 2.04 -1.26 -4.77 115.26 113.90 2ckj n ASN 1070Ca 0.58 -0.65 -0.23 0.00 -0.44 0.00 0.00 54.58 53.84 2ckj n ASN 1070Cb 0.42 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.55 2ckj n ASN 1070CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2ckj n THR 1071N 0.00 1.59 -3.45 5.53 -2.24 -1.15 -5.01 114.28 109.56 2ckj n THR 1071Ca 0.00 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 2ckj n THR 1071Cb 0.29 -1.85 -0.09 0.00 -2.10 0.00 0.00 70.33 66.58 2ckj n THR 1071CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ckj s VAL 1072N -2.47 -0.56 0.29 2.28 0.11 -1.18 -4.86 120.40 114.02 2ckj s VAL 1072Ca -0.30 -0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2ckj s VAL 1072Cb 0.08 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2ckj s VAL 1072CO 0.62 -0.08 0.43 -2.16 -3.33 0.00 0.00 175.10 170.58 2ckj s PRO 1073N 2.52 3.34 -0.04 1.54 0.04 -1.26 -4.61 135.00 136.53 2ckj s PRO 1073Ca 0.09 -0.75 -0.00 0.00 0.04 0.00 0.00 61.00 60.37 2ckj s PRO 1073Cb -0.15 -2.82 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 2ckj s PRO 1073CO -0.14 0.26 0.03 0.09 0.04 0.00 0.00 177.00 177.28 2ckj n ASN 1074N -1.56 -2.05 -4.67 6.66 3.02 -1.26 -5.00 115.26 110.40 2ckj n ASN 1074Ca -0.06 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 2ckj n ASN 1074Cb 0.57 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 2ckj n ASN 1074CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ckj s THR 1075N -3.01 3.97 0.56 3.41 -4.23 -1.26 -5.03 115.64 110.05 2ckj s THR 1075Ca 0.01 -0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.51 2ckj s THR 1075Cb -0.00 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2ckj s THR 1075CO 0.03 0.21 0.98 -0.44 -0.54 0.00 0.00 174.62 174.85 2ckj s SER 1076N -2.02 6.37 0.60 3.99 0.01 -1.26 -4.39 113.70 116.99 2ckj s SER 1076Ca 0.23 1.39 -0.18 0.00 1.31 0.00 0.00 55.95 58.71 2ckj s SER 1076Cb -0.12 -2.45 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 2ckj s SER 1076CO 0.15 -0.73 0.26 -2.65 0.41 0.00 0.00 173.24 170.68 2ckj n PRO 1077N -2.27 0.29 -2.86 12.44 -0.02 -1.26 -4.79 135.00 136.52 2ckj n PRO 1077Ca 0.05 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 2ckj n PRO 1077Cb 0.54 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 2ckj n PRO 1077CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ckj s THR 1078N -1.85 4.50 0.00 3.45 2.01 -0.96 -4.67 115.64 118.12 2ckj s THR 1078Ca 0.63 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2ckj s THR 1078Cb -0.43 -4.78 0.00 0.00 0.01 0.00 0.00 72.50 67.30 2ckj s THR 1078CO 0.60 -1.54 0.00 0.00 -0.69 0.00 0.00 174.62 172.99 2ckj n ALA 1079N 7.20 0.00 -0.46 7.40 0.00 -1.26 -4.91 120.51 128.48 2ckj n ALA 1079Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2ckj n ALA 1079Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 2ckj n ALA 1079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n ALA 1080N -3.00 3.79 0.00 0.00 0.00 -1.26 -4.37 120.51 115.67 2ckj n ALA 1080Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2ckj n ALA 1080Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2ckj n ALA 1080CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ckj n SER 1081N 1.73 0.00 0.04 0.00 7.64 -1.26 -4.62 113.62 117.15 2ckj n SER 1081Ca 0.05 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.04 2ckj n SER 1081Cb 0.45 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2ckj n SER 1081CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ckj n VAL 1082N -2.00 0.26 -0.14 0.44 0.24 -1.26 -3.72 118.33 112.16 2ckj n VAL 1082Ca 0.00 -0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.10 2ckj n VAL 1082Cb 0.00 0.04 0.21 0.00 -1.47 0.00 0.00 33.84 32.63 2ckj n VAL 1082CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ckj n SER 1083N -2.14 0.09 0.11 -1.34 3.41 -1.26 -0.04 113.62 112.46 2ckj n SER 1083Ca 0.01 0.49 -0.24 0.00 -0.26 0.00 0.00 58.87 58.87 2ckj n SER 1083Cb 0.47 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2ckj n SER 1083CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj h ALA 1084N 0.57 -0.05 -0.16 7.33 0.00 -1.98 -2.74 119.26 122.23 2ckj h ALA 1084Ca 0.29 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2ckj h ALA 1084Cb 0.86 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ckj h ALA 1084CO -0.19 0.77 -0.13 -0.44 0.00 0.00 0.00 179.25 179.25 2ckj h ASP 1085N 0.07 0.40 0.29 0.00 3.32 -1.51 -0.94 116.42 118.05 2ckj h ASP 1085Ca -0.28 -0.46 -0.14 0.00 0.02 0.00 0.00 57.03 56.17 2ckj h ASP 1085Cb 2.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.52 2ckj h ASP 1085CO 0.23 0.77 -0.57 -0.07 -1.72 0.00 0.00 179.24 177.88 2ckj h LEU 1086N 0.02 0.33 0.14 1.55 3.38 -0.57 -2.34 115.31 117.82 2ckj h LEU 1086Ca 0.03 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.53 2ckj h LEU 1086Cb 0.65 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ckj h LEU 1086CO 0.03 0.83 -1.31 0.78 0.09 0.00 0.00 178.44 178.86 2ckj h ASN 1087N 0.22 0.47 -0.98 -0.43 2.35 -1.58 -2.64 115.58 112.99 2ckj h ASN 1087Ca -0.00 -0.52 0.29 0.00 -0.55 0.00 0.00 56.30 55.52 2ckj h ASN 1087Cb 1.07 -0.15 -0.18 0.00 0.05 0.00 0.00 38.32 39.11 2ckj h ASN 1087CO 0.09 1.41 0.12 1.23 -1.65 0.00 0.00 177.43 178.64 2ckj h GLY 1088N 1.43 1.42 1.40 2.83 0.00 -1.17 0.13 103.07 109.10 2ckj h GLY 1088Ca -0.16 0.10 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 2ckj h GLY 1088CO 0.21 -0.55 -1.31 -1.61 0.00 0.00 0.00 176.54 173.27 2ckj h GLN 1089N 0.02 0.47 -0.74 4.80 5.75 -1.06 -2.26 115.11 122.08 2ckj h GLN 1089Ca 0.64 -0.72 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 2ckj h GLN 1089Cb 1.39 0.26 -0.03 0.00 1.07 0.00 0.00 27.48 30.16 2ckj h GLN 1089CO -0.88 1.33 0.23 0.00 -2.65 0.00 0.00 178.83 176.86 2ckj h ALA 1090N 0.37 1.00 0.11 3.38 0.00 -0.81 -1.58 119.26 121.73 2ckj h ALA 1090Ca -0.19 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ckj h ALA 1090Cb 2.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2ckj h ALA 1090CO 0.24 0.67 -0.16 0.28 0.00 0.00 0.00 179.25 180.27 2ckj h VAL 1091N 1.10 0.63 -0.99 0.00 2.07 -0.82 -2.02 116.25 116.22 2ckj h VAL 1091Ca 0.24 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.91 2ckj h VAL 1091Cb 0.31 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 2ckj h VAL 1091CO -0.01 0.00 0.60 0.22 0.02 0.00 0.00 177.57 178.41 2ckj h TYR 1092N -0.33 1.08 0.12 1.57 3.20 -0.72 -0.99 116.97 120.90 2ckj h TYR 1092Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2ckj h TYR 1092Cb 0.34 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2ckj h TYR 1092CO -0.16 0.33 -0.06 0.00 -1.64 0.00 0.00 178.16 176.63 2ckj h ALA 1093N 1.59 -0.16 -0.52 1.82 0.00 -0.72 -2.05 119.26 119.22 2ckj h ALA 1093Ca 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2ckj h ALA 1093Cb 0.70 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ckj h ALA 1093CO -0.33 -0.49 0.26 0.00 0.00 0.00 0.00 179.25 178.69 2ckj h ALA 1094N 0.49 0.67 -0.52 0.00 0.00 -1.03 -2.14 119.26 116.73 2ckj h ALA 1094Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ckj h ALA 1094Cb 0.29 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2ckj h ALA 1094CO 0.03 0.21 -0.52 0.00 0.00 0.00 0.00 179.25 178.96 2ckj h GLN 1096N -0.31 1.00 -0.18 0.00 1.08 -0.81 0.57 115.11 116.46 2ckj h GLN 1096Ca 0.12 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2ckj h GLN 1096Cb 0.57 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2ckj h GLN 1096CO -0.66 0.66 0.05 1.15 -0.95 0.00 0.00 178.83 179.08 2ckj h THR 1097N 1.03 1.09 0.12 -0.54 2.02 -1.11 -1.86 112.91 113.66 2ckj h THR 1097Ca 0.36 -0.32 -0.28 0.00 0.77 0.00 0.00 66.41 66.94 2ckj h THR 1097Cb 0.08 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ckj h THR 1097CO -0.14 0.11 -1.21 0.40 0.37 0.00 0.00 175.52 175.05 2ckj h ILE 1098N 0.26 1.40 0.00 3.11 2.04 -0.62 -2.85 117.51 120.85 2ckj h ILE 1098Ca 0.06 -2.74 -0.10 0.00 1.00 0.00 0.00 64.86 63.08 2ckj h ILE 1098Cb 0.10 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2ckj h ILE 1098CO -0.00 0.81 -0.48 -0.07 0.00 0.00 0.00 178.15 178.41 2ckj h LEU 1099N 0.16 0.00 -1.56 1.44 3.38 -1.31 -1.35 115.31 116.08 2ckj h LEU 1099Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2ckj h LEU 1099Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2ckj h LEU 1099CO 0.21 0.48 0.07 0.50 0.09 0.00 0.00 178.44 179.79 2ckj h LYS 1100N 0.00 0.35 -0.07 1.13 1.63 -1.28 -1.23 116.57 117.10 2ckj h LYS 1100Ca -0.00 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.57 2ckj h LYS 1100Cb 0.92 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2ckj h LYS 1100CO 0.06 0.33 -0.72 0.00 -3.45 0.00 0.00 179.45 175.67 2ckj h ARG 1101N 0.35 0.38 0.00 1.90 3.08 -1.01 -3.30 114.38 115.79 2ckj h ARG 1101Ca 0.09 -0.31 -0.25 0.00 0.07 0.00 0.00 59.98 59.57 2ckj h ARG 1101Cb 0.13 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2ckj h ARG 1101CO -0.00 0.95 -1.45 -0.07 -1.07 0.00 0.00 179.97 178.32 2ckj h LEU 1102N 0.26 0.00 -0.02 3.04 3.38 -1.50 -3.40 115.31 117.07 2ckj h LEU 1102Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ckj h LEU 1102Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2ckj h LEU 1102CO 0.12 0.94 -0.01 -0.62 0.09 0.00 0.00 178.44 178.97 2ckj n GLU 1103N -3.12 -0.01 -0.41 1.13 -0.58 -0.47 -0.47 120.64 116.71 2ckj n GLU 1103Ca -0.11 0.05 0.35 0.00 -0.42 0.00 0.00 57.16 57.03 2ckj n GLU 1103Cb 0.99 -0.08 0.67 0.00 -0.57 0.00 0.00 31.44 32.45 2ckj n GLU 1103CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2ckj h PRO 1104N 0.00 0.13 0.00 3.49 0.11 -1.83 0.22 132.00 134.11 2ckj h PRO 1104Ca 0.00 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.84 2ckj h PRO 1104Cb 0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 2ckj h PRO 1104CO -0.01 0.08 -1.59 1.88 -0.21 0.00 0.00 178.00 178.15 2ckj h TYR 1105N 0.13 0.00 -0.16 0.65 -1.99 -1.09 -2.55 116.97 111.96 2ckj h TYR 1105Ca 0.71 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.41 2ckj h TYR 1105Cb 2.38 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 41.10 2ckj h TYR 1105CO -0.00 0.93 -0.00 -0.22 -0.00 0.00 0.00 178.16 178.87 2ckj h LYS 1106N 0.00 0.28 0.04 4.88 3.64 -0.77 -2.77 116.57 121.87 2ckj h LYS 1106Ca -0.24 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2ckj h LYS 1106Cb 1.92 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 2ckj h LYS 1106CO 0.08 0.50 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.45 2ckj h LYS 1107N 0.02 -0.14 0.00 1.90 1.63 -0.66 -1.43 116.57 117.90 2ckj h LYS 1107Ca 0.04 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2ckj h LYS 1107Cb 0.38 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2ckj h LYS 1107CO 0.01 -0.10 0.25 1.63 -3.45 0.00 0.00 179.45 177.79 2ckj n LYS 1108N -2.96 0.01 -2.73 1.90 5.02 -0.96 -3.21 118.16 115.23 2ckj n LYS 1108Ca -0.02 0.28 -0.09 0.00 -2.02 0.00 0.00 58.31 56.47 2ckj n LYS 1108Cb 0.08 -1.77 0.08 0.00 -0.02 0.00 0.00 35.03 33.40 2ckj n LYS 1108CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ckj n ASN 1109N -1.31 -0.67 0.00 4.39 5.15 -0.92 -5.01 115.26 116.89 2ckj n ASN 1109Ca -0.00 -2.72 0.02 0.00 -0.60 0.00 0.00 54.58 51.29 2ckj n ASN 1109Cb 0.25 0.49 0.13 0.00 -0.53 0.00 0.00 39.78 40.12 2ckj n ASN 1109CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ckj n PRO 1110N -0.26 0.49 -0.67 1.20 -0.04 -0.58 -0.36 135.00 134.78 2ckj n PRO 1110Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2ckj n PRO 1110Cb 0.81 -1.14 0.20 0.00 -0.04 0.00 0.00 33.50 33.34 2ckj n PRO 1110CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ckj n SER 1111N -0.64 2.29 -4.79 3.54 3.41 -1.26 -5.05 113.62 111.12 2ckj n SER 1111Ca 0.03 -3.74 -0.22 0.00 -0.26 0.00 0.00 58.87 54.69 2ckj n SER 1111Cb 0.01 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.33 2ckj n SER 1111CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ckj s GLY 1112N -2.76 1.67 0.63 5.00 0.00 0.51 -5.10 107.32 107.28 2ckj s GLY 1112Ca 0.42 -1.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.35 2ckj s GLY 1112CO -0.02 -1.59 1.21 -1.35 0.00 0.00 0.00 173.10 171.35 2ckj s SER 1113N -3.87 4.94 0.46 1.64 1.04 -1.26 -4.86 113.70 111.78 2ckj s SER 1113Ca 0.36 2.39 0.19 0.00 0.48 0.00 0.00 55.95 59.37 2ckj s SER 1113Cb -0.06 -2.60 1.16 0.00 0.10 0.00 0.00 66.02 64.62 2ckj s SER 1113CO 0.24 -1.77 1.93 -0.25 0.98 0.00 0.00 173.24 174.38 2ckj h TRP 1114N 0.58 0.35 -0.34 5.02 2.91 -2.00 -0.08 115.95 122.39 2ckj h TRP 1114Ca -0.50 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.47 2ckj h TRP 1114Cb 1.30 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.82 2ckj h TRP 1114CO 0.46 0.13 -0.07 0.93 -1.03 0.00 0.00 178.44 178.86 2ckj h GLU 1115N 0.29 0.56 -0.18 2.65 3.07 -1.92 -2.68 114.58 116.37 2ckj h GLU 1115Ca 0.35 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2ckj h GLU 1115Cb 0.96 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 2ckj h GLU 1115CO -0.09 0.63 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.66 2ckj h ASP 1116N 0.52 0.36 0.67 1.42 5.19 -1.42 0.25 116.42 123.41 2ckj h ASP 1116Ca 0.10 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 56.08 2ckj h ASP 1116Cb 0.44 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2ckj h ASP 1116CO 0.02 0.66 -0.22 -0.50 -3.12 0.00 0.00 179.24 176.08 2ckj h TRP 1117N 0.05 0.00 0.10 4.55 6.55 -1.09 -3.06 115.95 123.05 2ckj h TRP 1117Ca 0.04 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.88 2ckj h TRP 1117Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2ckj h TRP 1117CO 0.06 0.22 -0.05 0.28 -1.05 0.00 0.00 178.44 177.90 2ckj h VAL 1118N 0.00 0.65 0.00 1.49 2.07 -1.03 -2.07 116.25 117.35 2ckj h VAL 1118Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2ckj h VAL 1118Cb 0.62 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2ckj h VAL 1118CO 0.03 0.20 0.36 0.71 0.02 0.00 0.00 177.57 178.88 2ckj h THR 1119N -0.97 0.00 0.08 2.57 1.35 -0.54 -0.83 112.91 114.57 2ckj h THR 1119Ca -0.01 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.52 2ckj h THR 1119Cb 0.43 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 2ckj h THR 1119CO 0.02 0.00 -1.81 0.00 -0.25 0.00 0.00 175.52 173.48 2ckj n ALA 1120N -1.83 0.88 -0.31 6.62 0.00 -1.16 -2.58 120.51 122.13 2ckj n ALA 1120Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.79 2ckj n ALA 1120Cb 0.40 -0.60 0.08 0.00 0.00 0.00 0.00 19.45 19.32 2ckj n ALA 1120CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 1121N -0.13 1.05 0.25 0.00 0.00 -0.43 -2.56 119.26 117.44 2ckj h ALA 1121Ca -0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2ckj h ALA 1121Cb 1.80 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2ckj h ALA 1121CO -0.02 0.50 -0.14 -0.92 0.00 0.00 0.00 179.25 178.66 2ckj h TYR 1122N 1.13 -0.36 0.00 0.00 3.20 -1.48 0.64 116.97 120.10 2ckj h TYR 1122Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2ckj h TYR 1122Cb -0.08 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2ckj h TYR 1122CO -0.01 -0.22 0.00 0.52 -1.64 0.00 0.00 178.16 176.81 2ckj h MET 1123N -0.37 0.00 0.00 1.82 0.00 -1.29 0.21 114.93 115.29 2ckj h MET 1123Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.66 2ckj h MET 1123Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.90 2ckj h MET 1123CO 0.04 0.00 -0.73 0.22 0.00 0.00 0.00 176.91 176.44 2ckj h ASP 1124N 0.00 0.00 0.00 1.22 3.58 -1.27 -3.49 116.42 116.46 2ckj h ASP 1124Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ckj h ASP 1124Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2ckj h ASP 1124CO 0.00 0.06 0.00 0.41 -2.88 0.00 0.00 179.24 176.83 2ckj n THR 1125N -2.83 0.00 -5.24 2.25 -1.04 0.21 -5.07 114.28 102.56 2ckj n THR 1125Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2ckj n THR 1125Cb 0.57 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.92 2ckj n THR 1125CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ckj s VAL 1126N -1.59 2.00 0.09 12.58 1.01 -0.67 -5.03 120.40 128.80 2ckj s VAL 1126Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 61.98 60.54 2ckj s VAL 1126Cb 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 36.38 34.59 2ckj s VAL 1126CO 0.00 0.55 1.67 -0.24 0.00 0.00 0.00 175.10 177.08 2ckj n SER 1127N 2.41 3.23 -1.03 3.32 2.88 -1.26 -4.67 113.62 118.50 2ckj n SER 1127Ca -0.16 1.05 0.04 0.00 -1.33 0.00 0.00 58.87 58.47 2ckj n SER 1127Cb 0.51 -1.42 0.24 0.00 -0.75 0.00 0.00 64.21 62.80 2ckj n SER 1127CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ckj n LEU 1128N 4.36 4.10 -3.87 2.46 4.77 -1.26 -4.88 117.00 122.67 2ckj n LEU 1128Ca 0.18 -3.26 -0.14 0.00 -0.03 0.00 0.00 56.01 52.77 2ckj n LEU 1128Cb 0.29 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 2ckj n LEU 1128CO 0.66 0.85 -0.37 -0.55 -1.33 0.00 0.00 177.39 176.65 2ckj s SER 1129N -2.07 0.18 -0.17 -1.43 0.15 -1.26 -1.36 113.70 107.74 2ckj s SER 1129Ca 0.44 -0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.79 2ckj s SER 1129Cb 0.37 -0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 2ckj s SER 1129CO 0.06 -0.01 0.78 0.00 1.20 0.00 0.00 173.24 175.27 2ckj s ALA 1130N 0.22 -1.82 1.01 5.45 0.00 -0.86 -5.05 121.76 120.72 2ckj s ALA 1130Ca -0.02 1.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 2ckj s ALA 1130Cb -0.03 -0.67 0.15 0.00 0.00 0.00 0.00 23.12 22.56 2ckj s ALA 1130CO -0.01 -0.34 0.83 0.25 0.00 0.00 0.00 175.76 176.49 2ckj n THR 1131N 1.66 0.00 0.00 0.00 -2.24 -1.26 -1.07 114.28 111.37 2ckj n THR 1131Ca -0.15 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2ckj n THR 1131Cb 0.56 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 2ckj n THR 1131CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1132N -0.59 2.39 3.31 3.38 0.00 -0.91 -4.04 105.19 108.74 2ckj n GLY 1132Ca 0.10 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2ckj n GLY 1132CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 1133N -0.35 1.51 -0.25 1.61 5.36 -1.26 -0.62 117.98 123.99 2ckj s PHE 1133Ca 0.00 -1.29 -0.27 0.00 -0.96 0.00 0.00 56.93 54.41 2ckj s PHE 1133Cb 0.00 -0.84 0.15 0.00 -0.34 0.00 0.00 43.02 41.99 2ckj s PHE 1133CO 0.00 -0.45 1.15 -0.47 -1.46 0.00 0.00 175.22 173.98 2ckj s TYR 1134N -3.75 -0.31 0.01 10.12 5.04 -0.79 -4.43 117.35 123.25 2ckj s TYR 1134Ca 0.37 0.66 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 2ckj s TYR 1134Cb 0.07 0.43 -0.02 0.00 0.35 0.00 0.00 41.96 42.79 2ckj s TYR 1134CO 0.15 -0.20 -0.16 -0.98 -1.34 0.00 0.00 175.55 173.03 2ckj s ARG 1135N -0.35 1.18 -0.18 4.97 1.70 -1.26 -2.90 118.95 122.11 2ckj s ARG 1135Ca 0.03 -0.68 -0.26 0.00 -0.47 0.00 0.00 55.73 54.36 2ckj s ARG 1135Cb -0.03 -1.18 -0.01 0.00 -0.57 0.00 0.00 34.95 33.16 2ckj s ARG 1135CO -0.06 0.31 0.85 0.99 -1.08 0.00 0.00 175.30 176.31 2ckj s THR 1136N -0.58 4.86 0.30 4.99 2.01 -0.60 -5.02 115.64 121.61 2ckj s THR 1136Ca 0.05 1.66 -0.11 0.00 0.31 0.00 0.00 61.69 63.60 2ckj s THR 1136Cb -0.07 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2ckj s THR 1136CO 0.00 0.01 0.66 -2.16 -0.69 0.00 0.00 174.62 172.44 2ckj s PRO 1137N 2.26 3.84 -0.47 4.92 0.04 -1.26 -4.58 135.00 139.76 2ckj s PRO 1137Ca 0.39 0.41 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 2ckj s PRO 1137Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2ckj s PRO 1137CO 0.12 0.18 0.41 0.09 0.04 0.00 0.00 177.00 177.83 2ckj n ASN 1138N -0.56 -3.32 -4.59 6.66 3.02 -1.26 -5.05 115.26 110.15 2ckj n ASN 1138Ca 0.02 -0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 2ckj n ASN 1138Cb 0.53 -2.09 -0.09 0.00 -0.61 0.00 0.00 39.78 37.52 2ckj n ASN 1138CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ckj s LEU 1139N -3.25 3.08 0.00 3.41 1.02 -1.26 -4.79 118.68 116.88 2ckj s LEU 1139Ca 0.18 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.91 2ckj s LEU 1139Cb -0.08 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.29 2ckj s LEU 1139CO 0.26 0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.39 2ckj n GLY 1140N 0.47 3.02 3.70 -3.19 0.00 -0.17 -4.88 105.19 104.15 2ckj n GLY 1140Ca -0.12 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2ckj n GLY 1140CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 1141N 0.00 3.16 -0.09 1.61 5.04 -1.26 -2.86 117.35 122.95 2ckj s TYR 1141Ca 0.00 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.80 2ckj s TYR 1141Cb 0.00 -1.74 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 2ckj s TYR 1141CO 0.00 0.49 -0.09 0.45 -1.34 0.00 0.00 175.55 175.06 2ckj s SER 1142N -1.27 4.45 0.25 4.32 0.15 -0.86 -4.94 113.70 115.79 2ckj s SER 1142Ca 0.17 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.94 2ckj s SER 1142Cb -0.12 -1.31 0.59 0.00 -1.71 0.00 0.00 66.02 63.47 2ckj s SER 1142CO 0.07 0.29 1.63 -0.26 1.20 0.00 0.00 173.24 176.17 2ckj h PHE 1143N 5.81 0.00 -2.68 3.44 -1.00 -1.99 -3.04 116.94 117.49 2ckj h PHE 1143Ca -0.41 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.76 2ckj h PHE 1143Cb 1.18 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 40.32 2ckj h PHE 1143CO 0.54 0.00 -0.61 -0.85 -1.61 0.00 0.00 178.31 175.78 2ckj n GLU 1144N -2.45 2.03 0.00 1.51 0.00 -1.26 -4.20 120.64 116.28 2ckj n GLU 1144Ca 0.05 -4.49 0.00 0.00 0.00 0.00 0.00 57.16 52.71 2ckj n GLU 1144Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 29.67 2ckj n GLU 1144CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ckj n THR 1145N 1.52 0.00 -3.58 3.84 5.66 -1.26 -5.01 114.28 115.45 2ckj n THR 1145Ca 0.24 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.06 2ckj n THR 1145Cb 0.38 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 2ckj n THR 1145CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ckj n ASN 1146N 0.00 -0.36 -4.06 1.09 2.85 -1.15 -4.89 115.26 108.74 2ckj n ASN 1146Ca 0.00 -0.65 -0.13 0.00 -0.11 0.00 0.00 54.58 53.69 2ckj n ASN 1146Cb 0.00 -0.80 -0.09 0.00 1.24 0.00 0.00 39.78 40.12 2ckj n ASN 1146CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ckj s SER 1147N -3.89 0.34 0.00 1.20 1.04 -1.23 -4.59 113.70 106.57 2ckj s SER 1147Ca 0.08 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2ckj s SER 1147Cb -0.05 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2ckj s SER 1147CO 0.50 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2ckj n GLY 1148N -0.33 -2.60 3.07 7.32 0.00 -1.26 -2.03 105.19 109.36 2ckj n GLY 1148Ca 0.02 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 2ckj n GLY 1148CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 1149N -1.86 4.68 -0.04 1.61 0.02 -1.13 -4.71 114.94 113.50 2ckj s ASN 1149Ca 0.00 -1.68 0.05 0.00 -1.02 0.00 0.00 52.86 50.21 2ckj s ASN 1149Cb 0.00 -1.62 -0.25 0.00 0.02 0.00 0.00 41.25 39.41 2ckj s ASN 1149CO 0.00 -0.29 0.69 1.55 0.02 0.00 0.00 177.10 179.07 2ckj h PRO 1150N 7.77 0.11 0.00 -0.60 0.13 -1.94 -0.43 132.00 137.04 2ckj h PRO 1150Ca -0.14 -0.19 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2ckj h PRO 1150Cb 1.04 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2ckj h PRO 1150CO 0.51 0.82 -0.04 1.19 -0.23 0.00 0.00 178.00 180.25 2ckj n PHE 1151N -3.25 -1.91 0.00 1.56 3.01 -1.26 -4.76 117.46 110.86 2ckj n PHE 1151Ca -0.19 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 57.85 2ckj n PHE 1151Cb 1.04 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 2ckj n PHE 1151CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2ckj n HIS 1152N -0.93 0.00 -3.86 1.38 -0.00 -0.95 -4.96 115.22 105.90 2ckj n HIS 1152Ca 0.01 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.14 2ckj n HIS 1152Cb 0.12 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.01 2ckj n HIS 1152CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 2ckj s TYR 1153N -1.72 0.09 -0.04 1.57 -0.85 -1.26 -5.02 117.35 110.12 2ckj s TYR 1153Ca 0.00 -0.56 0.06 0.00 -0.52 0.00 0.00 57.07 56.05 2ckj s TYR 1153Cb 0.00 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 43.07 2ckj s TYR 1153CO 0.00 -1.10 -0.21 -0.06 -1.52 0.00 0.00 175.55 172.65 2ckj s PHE 1154N -2.20 2.02 0.35 -3.49 0.40 -1.26 -1.81 117.98 111.99 2ckj s PHE 1154Ca 0.20 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.78 2ckj s PHE 1154Cb -0.03 -1.32 -0.10 0.00 0.51 0.00 0.00 43.02 42.07 2ckj s PHE 1154CO 0.07 -0.12 0.95 0.45 0.70 0.00 0.00 175.22 177.27 2ckj s SER 1155N -0.26 7.20 0.00 1.36 0.15 -0.87 -4.91 113.70 116.37 2ckj s SER 1155Ca 0.02 1.82 -0.10 0.00 0.70 0.00 0.00 55.95 58.39 2ckj s SER 1155Cb -0.11 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2ckj s SER 1155CO 0.01 -0.17 0.20 -0.31 1.20 0.00 0.00 173.24 174.17 2ckj s TYR 1156N -1.75 -0.03 -1.33 3.44 1.51 -1.26 -1.24 117.35 116.70 2ckj s TYR 1156Ca 0.53 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 2ckj s TYR 1156Cb -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 41.96 41.68 2ckj s TYR 1156CO 0.22 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 174.73 2ckj n GLY 1157N 1.29 -1.48 3.64 0.71 0.00 -1.11 -1.30 105.19 106.94 2ckj n GLY 1157Ca -0.22 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 2ckj n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ckj s VAL 1158N -2.35 0.00 0.13 1.61 1.01 -0.94 -2.23 120.40 117.63 2ckj s VAL 1158Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2ckj s VAL 1158Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2ckj s VAL 1158CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 175.10 175.01 2ckj s ALA 1159N 0.52 1.25 -0.28 5.51 0.00 -0.52 -2.76 121.76 125.49 2ckj s ALA 1159Ca -0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 2ckj s ALA 1159Cb -0.05 0.10 0.17 0.00 0.00 0.00 0.00 23.12 23.34 2ckj s ALA 1159CO -0.05 -0.16 0.54 0.00 0.00 0.00 0.00 175.76 176.09 2ckj s SER 1161N 2.77 2.88 -0.07 0.00 0.01 -0.35 -1.74 113.70 117.20 2ckj s SER 1161Ca 0.17 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.96 2ckj s SER 1161Cb -0.15 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 2ckj s SER 1161CO -0.19 0.27 -0.12 -0.70 0.41 0.00 0.00 173.24 172.90 2ckj s GLU 1162N -0.83 2.70 0.08 12.44 2.12 -0.99 -1.09 118.70 133.13 2ckj s GLU 1162Ca 0.10 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2ckj s GLU 1162Cb -0.09 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 2ckj s GLU 1162CO 0.00 0.57 -0.07 0.14 -0.54 0.00 0.00 175.26 175.36 2ckj s VAL 1163N -0.58 0.65 -0.09 3.70 -7.23 0.45 -2.64 120.40 114.66 2ckj s VAL 1163Ca 0.08 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2ckj s VAL 1163Cb -0.11 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2ckj s VAL 1163CO 0.01 -0.67 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.31 2ckj s GLU 1164N -2.94 1.79 0.15 4.82 2.12 -1.14 -0.83 118.70 122.68 2ckj s GLU 1164Ca 0.03 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2ckj s GLU 1164Cb -0.01 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 2ckj s GLU 1164CO -0.03 -0.08 0.27 0.96 -0.54 0.00 0.00 175.26 175.85 2ckj s ILE 1165N 1.03 5.24 -0.56 -3.70 -4.36 0.13 -2.26 121.20 116.72 2ckj s ILE 1165Ca -0.07 -0.74 -0.14 0.00 -0.26 0.00 0.00 60.65 59.44 2ckj s ILE 1165Cb -0.15 -3.70 0.14 0.00 1.25 0.00 0.00 42.46 40.00 2ckj s ILE 1165CO -0.01 -0.10 0.49 -0.62 0.24 0.00 0.00 174.94 174.94 2ckj s ASP 1166N -3.25 6.13 0.00 4.36 2.15 -0.46 -2.68 116.67 122.92 2ckj s ASP 1166Ca 0.34 -1.93 0.15 0.00 0.43 0.00 0.00 52.55 51.54 2ckj s ASP 1166Cb -0.11 -2.16 0.90 0.00 -0.30 0.00 0.00 42.92 41.25 2ckj s ASP 1166CO 0.28 -0.79 1.51 0.00 -0.17 0.00 0.00 175.17 176.00 2ckj h LEU 1168N 0.00 0.66 0.00 0.00 3.38 -1.92 -3.43 115.31 113.99 2ckj h LEU 1168Ca 0.00 -0.92 -0.22 0.00 0.09 0.00 0.00 57.88 56.82 2ckj h LEU 1168Cb 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2ckj h LEU 1168CO 0.00 1.71 -1.84 0.35 0.09 0.00 0.00 178.44 178.75 2ckj n THR 1169N -3.72 0.84 0.00 0.22 -2.24 -0.73 -4.88 114.28 103.76 2ckj n THR 1169Ca -0.21 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2ckj n THR 1169Cb 1.04 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2ckj n THR 1169CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1170N 2.24 1.02 3.89 3.38 0.00 -0.31 -4.76 105.19 110.65 2ckj n GLY 1170Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2ckj n GLY 1170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ckj s ASP 1171N -2.03 6.48 0.31 1.61 2.15 -1.25 -3.71 116.67 120.24 2ckj s ASP 1171Ca 0.00 0.53 0.06 0.00 0.43 0.00 0.00 52.55 53.57 2ckj s ASP 1171Cb 0.00 -2.07 -0.06 0.00 -0.30 0.00 0.00 42.92 40.49 2ckj s ASP 1171CO 0.00 0.16 -0.01 -1.38 -0.17 0.00 0.00 175.17 173.77 2ckj s HIS 1172N -1.48 2.02 0.15 -5.34 -3.43 -1.26 -1.35 115.29 104.59 2ckj s HIS 1172Ca 0.34 -0.78 0.03 0.00 -0.80 0.00 0.00 55.06 53.85 2ckj s HIS 1172Cb -0.13 -1.25 -0.04 0.00 -1.43 0.00 0.00 32.58 29.74 2ckj s HIS 1172CO 0.22 0.21 0.26 0.15 -2.00 0.00 0.00 174.74 173.58 2ckj s LYS 1173N -3.78 3.38 -0.71 -0.38 1.02 -0.96 -5.02 119.74 113.30 2ckj s LYS 1173Ca 0.32 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.74 2ckj s LYS 1173Cb 0.06 -2.94 0.28 0.00 -0.52 0.00 0.00 37.83 34.71 2ckj s LYS 1173CO 0.14 0.52 0.94 0.09 -0.92 0.00 0.00 175.35 176.12 2ckj n ASN 1174N -0.48 4.46 -0.11 2.83 3.02 -1.26 -2.88 115.26 120.83 2ckj n ASN 1174Ca -0.07 -3.50 -0.10 0.00 -0.03 0.00 0.00 54.58 50.87 2ckj n ASN 1174Cb 0.54 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 2ckj n ASN 1174CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2ckj h LEU 1175N 4.11 -1.39 -7.77 3.41 3.38 -1.86 -2.47 115.31 112.72 2ckj h LEU 1175Ca 0.20 0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.31 2ckj h LEU 1175Cb 0.61 0.61 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 2ckj h LEU 1175CO 0.92 -0.37 -0.25 -0.60 0.09 0.00 0.00 178.44 178.23 2ckj s ARG 1176N -5.86 1.04 -0.27 1.13 3.52 -1.17 -2.66 118.95 114.67 2ckj s ARG 1176Ca -0.15 -0.95 -0.13 0.00 -0.13 0.00 0.00 55.73 54.37 2ckj s ARG 1176Cb 0.11 0.40 0.10 0.00 -1.56 0.00 0.00 34.95 34.00 2ckj s ARG 1176CO 0.65 -0.38 0.63 0.99 -0.81 0.00 0.00 175.30 176.39 2ckj s THR 1177N -3.88 -0.40 -0.12 4.11 2.01 -0.38 -2.34 115.64 114.65 2ckj s THR 1177Ca 0.08 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2ckj s THR 1177Cb 0.03 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2ckj s THR 1177CO -0.07 0.01 -0.14 -1.81 -0.69 0.00 0.00 174.62 171.91 2ckj s ASP 1178N 2.13 2.44 0.20 3.53 -0.00 -0.71 -0.57 116.67 123.69 2ckj s ASP 1178Ca -0.08 -0.42 0.08 0.00 -0.00 0.00 0.00 52.55 52.13 2ckj s ASP 1178Cb -0.08 -1.08 -0.04 0.00 -0.00 0.00 0.00 42.92 41.72 2ckj s ASP 1178CO -0.19 -0.01 -0.04 -0.63 -0.00 0.00 0.00 175.17 174.30 2ckj s ILE 1179N 1.13 3.43 -0.09 0.77 1.01 0.02 -1.82 121.20 125.67 2ckj s ILE 1179Ca -0.04 -1.63 -0.03 0.00 0.00 0.00 0.00 60.65 58.95 2ckj s ILE 1179Cb -0.14 -2.74 0.05 0.00 0.01 0.00 0.00 42.46 39.63 2ckj s ILE 1179CO -0.04 -0.17 0.17 -0.69 0.00 0.00 0.00 174.94 174.21 2ckj s VAL 1180N -1.85 -0.22 -0.09 2.92 1.01 -1.11 -1.82 120.40 119.23 2ckj s VAL 1180Ca 0.27 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 2ckj s VAL 1180Cb -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.02 2ckj s VAL 1180CO 0.17 0.12 -0.06 -0.32 0.00 0.00 0.00 175.10 175.02 2ckj s MET 1181N 2.01 1.28 -0.65 2.72 0.00 -0.48 -2.20 119.30 121.97 2ckj s MET 1181Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 55.69 55.24 2ckj s MET 1181Cb -0.12 -1.36 0.02 0.00 0.00 0.00 0.00 34.83 33.37 2ckj s MET 1181CO -0.06 -0.22 1.39 0.34 0.00 0.00 0.00 175.02 176.46 2ckj s ASP 1182N 1.58 6.06 0.00 1.11 2.15 -0.42 -1.46 116.67 125.68 2ckj s ASP 1182Ca 0.01 -0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.09 2ckj s ASP 1182Cb -0.13 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 40.16 2ckj s ASP 1182CO -0.05 -1.84 1.12 1.33 -0.17 0.00 0.00 175.17 175.56 2ckj n VAL 1183N 6.67 0.26 -4.30 1.11 0.24 -1.26 -4.33 118.33 116.71 2ckj n VAL 1183Ca 0.09 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2ckj n VAL 1183Cb 0.49 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 2ckj n VAL 1183CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ckj n GLY 1184N 0.96 0.00 3.48 7.63 0.00 -1.26 0.84 105.19 116.84 2ckj n GLY 1184Ca 0.12 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2ckj n GLY 1184CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ckj s SER 1185N -4.00 6.68 0.26 1.61 0.01 0.14 -4.79 113.70 113.60 2ckj s SER 1185Ca 0.00 -2.08 -0.29 0.00 1.31 0.00 0.00 55.95 54.89 2ckj s SER 1185Cb 0.00 -2.44 -0.15 0.00 0.21 0.00 0.00 66.02 63.64 2ckj s SER 1185CO 0.00 -1.11 1.01 -0.24 0.41 0.00 0.00 173.24 173.31 2ckj n SER 1186N 6.95 1.13 0.32 2.44 2.88 -1.26 -4.33 113.62 121.75 2ckj n SER 1186Ca 0.29 1.17 0.20 0.00 -1.33 0.00 0.00 58.87 59.20 2ckj n SER 1186Cb 0.48 -1.25 1.08 0.00 -0.75 0.00 0.00 64.21 63.78 2ckj n SER 1186CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ckj h LEU 1187N 2.25 0.00 -5.22 2.46 3.38 -1.90 -3.31 115.31 112.97 2ckj h LEU 1187Ca -0.39 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.76 2ckj h LEU 1187Cb 1.35 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.92 2ckj h LEU 1187CO 0.63 0.01 -0.02 0.21 0.09 0.00 0.00 178.44 179.36 2ckj s ASN 1188N -5.44 -0.07 0.59 -0.43 3.84 -1.26 -1.19 114.94 110.98 2ckj s ASN 1188Ca -0.04 -0.03 0.38 0.00 0.21 0.00 0.00 52.86 53.38 2ckj s ASN 1188Cb 0.13 0.26 1.75 0.00 -0.55 0.00 0.00 41.25 42.84 2ckj s ASN 1188CO 0.46 -0.01 2.13 -0.65 -2.79 0.00 0.00 177.10 176.24 2ckj h PRO 1189N 5.44 0.00 0.00 0.43 0.11 -1.81 -1.09 132.00 135.08 2ckj h PRO 1189Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 2ckj h PRO 1189Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ckj h PRO 1189CO -0.12 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.68 2ckj h ALA 1190N 2.00 -0.00 -0.39 -0.75 0.00 -1.88 -3.36 119.26 114.87 2ckj h ALA 1190Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2ckj h ALA 1190Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ckj h ALA 1190CO 0.00 -0.15 -0.08 0.82 0.00 0.00 0.00 179.25 179.85 2ckj h ILE 1191N -0.71 1.27 -4.22 0.00 2.04 -1.57 -2.87 117.51 111.45 2ckj h ILE 1191Ca -0.00 -1.15 -0.50 0.00 1.00 0.00 0.00 64.86 64.21 2ckj h ILE 1191Cb 0.71 1.22 0.08 0.00 -0.74 0.00 0.00 36.82 38.09 2ckj h ILE 1191CO 0.00 0.38 0.37 -1.81 0.00 0.00 0.00 178.15 177.10 2ckj s ASP 1192N -6.34 5.56 0.00 1.72 1.01 -0.57 -1.66 116.67 116.39 2ckj s ASP 1192Ca -0.13 1.82 0.00 0.00 0.71 0.00 0.00 52.55 54.96 2ckj s ASP 1192Cb 0.10 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.50 2ckj s ASP 1192CO 0.81 -1.32 0.00 -0.38 0.21 0.00 0.00 175.17 174.49 2ckj n ILE 1193N -2.30 0.00 -0.31 0.77 5.41 -1.26 -4.19 119.36 117.47 2ckj n ILE 1193Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.87 2ckj n ILE 1193Cb 0.53 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.56 2ckj n ILE 1193CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ckj h GLY 1194N 0.00 0.57 1.20 7.39 0.00 -1.50 0.13 103.07 110.85 2ckj h GLY 1194Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 47.33 47.46 2ckj h GLY 1194CO 0.00 -0.32 -0.56 -1.61 0.00 0.00 0.00 176.54 174.05 2ckj h GLN 1195N -0.01 0.84 0.04 4.80 5.75 -1.48 -1.96 115.11 123.10 2ckj h GLN 1195Ca 0.41 -0.54 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2ckj h GLN 1195Cb 0.64 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 2ckj h GLN 1195CO -0.91 1.17 -0.07 0.28 -2.65 0.00 0.00 178.83 176.66 2ckj h VAL 1196N 0.64 0.00 -0.99 2.39 2.07 -1.52 -2.98 116.25 115.86 2ckj h VAL 1196Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 2ckj h VAL 1196Cb 1.16 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 2ckj h VAL 1196CO 0.12 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 178.01 2ckj h GLU 1197N -0.12 0.54 -0.42 1.57 5.08 -0.77 -1.78 114.58 118.67 2ckj h GLU 1197Ca -0.01 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2ckj h GLU 1197Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ckj h GLU 1197CO -0.02 0.35 0.01 0.78 -1.00 0.00 0.00 179.01 179.13 2ckj h GLY 1198N 0.55 0.80 0.78 -3.84 0.00 -1.35 -1.66 103.07 98.36 2ckj h GLY 1198Ca 0.56 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2ckj h GLY 1198CO -0.31 0.54 -0.03 0.00 0.00 0.00 0.00 176.54 176.74 2ckj h ALA 1199N 0.90 -0.07 -0.89 3.60 0.00 -1.23 -1.35 119.26 120.22 2ckj h ALA 1199Ca 0.12 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2ckj h ALA 1199Cb 0.47 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2ckj h ALA 1199CO 0.02 -0.43 0.37 0.35 0.00 0.00 0.00 179.25 179.55 2ckj h PHE 1200N -0.29 0.60 -0.06 0.00 3.57 -1.39 -0.59 116.94 118.77 2ckj h PHE 1200Ca -0.01 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 2ckj h PHE 1200Cb 0.26 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2ckj h PHE 1200CO -0.00 -0.09 -0.72 0.28 -2.23 0.00 0.00 178.31 175.55 2ckj h VAL 1201N 0.35 1.40 -0.23 1.41 2.07 -1.03 -2.49 116.25 117.74 2ckj h VAL 1201Ca 0.56 -2.18 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 2ckj h VAL 1201Cb 1.09 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2ckj h VAL 1201CO -0.56 0.65 0.13 1.56 0.02 0.00 0.00 177.57 179.37 2ckj h GLN 1202N 0.22 0.31 0.52 1.57 4.20 0.00 -2.66 115.11 119.27 2ckj h GLN 1202Ca -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2ckj h GLN 1202Cb 1.29 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2ckj h GLN 1202CO 0.12 0.22 -0.40 0.78 -0.67 0.00 0.00 178.83 178.89 2ckj h GLY 1203N 0.36 -1.14 -0.02 3.46 0.00 -0.99 -1.80 103.07 102.94 2ckj h GLY 1203Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2ckj h GLY 1203CO -0.01 -0.37 -0.01 -0.10 0.00 0.00 0.00 176.54 176.05 2ckj n LEU 1204N -4.85 -0.01 0.30 3.11 -0.00 -0.96 0.55 117.00 115.15 2ckj n LEU 1204Ca -0.11 0.04 -0.15 0.00 -0.00 0.00 0.00 56.01 55.79 2ckj n LEU 1204Cb 0.38 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.72 2ckj n LEU 1204CO 0.24 -0.04 0.47 1.23 -0.00 0.00 0.00 177.39 179.30 2ckj h GLY 1205N 0.00 -0.82 0.59 -3.96 0.00 -1.09 -2.80 103.07 95.00 2ckj h GLY 1205Ca 0.01 0.31 0.20 0.00 0.00 0.00 0.00 47.33 47.85 2ckj h GLY 1205CO -0.02 -0.30 0.51 -2.00 0.00 0.00 0.00 176.54 174.72 2ckj h LEU 1206N -1.06 0.03 -0.26 3.11 5.85 0.93 -2.53 115.31 121.39 2ckj h LEU 1206Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2ckj h LEU 1206Cb 0.66 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2ckj h LEU 1206CO 0.13 0.01 -0.65 0.49 -0.34 0.00 0.00 178.44 178.08 2ckj n PHE 1207N -4.34 0.00 -0.42 1.25 0.99 0.10 -4.51 117.46 110.53 2ckj n PHE 1207Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2ckj n PHE 1207Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.24 2ckj n PHE 1207CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ckj n THR 1208N -1.02 0.00 0.00 4.37 -2.24 -0.97 0.46 114.28 114.88 2ckj n THR 1208Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2ckj n THR 1208Cb 0.29 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2ckj n THR 1208CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 1209N 0.00 0.00 -4.61 3.22 7.94 -1.08 -3.74 117.00 118.73 2ckj n LEU 1209Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 2ckj n LEU 1209Cb 0.08 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.93 2ckj n LEU 1209CO 0.00 0.00 -0.19 -1.61 -1.11 0.00 0.00 177.39 174.48 2ckj s GLU 1210N -0.53 3.98 -0.07 1.96 2.02 -1.14 -4.57 118.70 120.34 2ckj s GLU 1210Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.69 2ckj s GLU 1210Cb 0.00 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.71 2ckj s GLU 1210CO 0.00 -0.03 -0.09 -2.00 0.02 0.00 0.00 175.26 173.16 2ckj s GLU 1211N 1.30 1.46 -0.09 1.61 2.12 -1.26 -4.81 118.70 119.04 2ckj s GLU 1211Ca 0.07 -0.30 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 2ckj s GLU 1211Cb -0.14 -1.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.87 2ckj s GLU 1211CO 0.06 -0.08 0.40 -0.51 -0.54 0.00 0.00 175.26 174.60 2ckj s LEU 1212N 1.01 4.34 -0.10 2.70 1.02 -1.26 -4.77 118.68 121.61 2ckj s LEU 1212Ca -0.09 0.79 0.03 0.00 0.02 0.00 0.00 54.13 54.88 2ckj s LEU 1212Cb -0.15 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.49 2ckj s LEU 1212CO -0.00 0.14 -0.20 -1.00 0.02 0.00 0.00 176.35 175.31 2ckj s HIS 1213N -0.01 2.64 -0.06 0.29 3.76 -1.26 -5.04 115.29 115.61 2ckj s HIS 1213Ca 0.23 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 2ckj s HIS 1213Cb -0.15 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 2ckj s HIS 1213CO 0.10 -0.30 -0.12 0.71 -0.85 0.00 0.00 174.74 174.27 2ckj s TYR 1214N 0.26 2.77 0.73 1.40 1.51 -1.26 -0.63 117.35 122.12 2ckj s TYR 1214Ca -0.14 -0.12 -0.16 0.00 -1.01 0.00 0.00 57.07 55.64 2ckj s TYR 1214Cb -0.17 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2ckj s TYR 1214CO 0.07 0.21 0.66 -1.13 -1.11 0.00 0.00 175.55 174.25 2ckj n SER 1215N 2.33 -0.72 -0.09 2.29 3.41 -0.88 -3.26 113.62 116.70 2ckj n SER 1215Ca -0.17 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.12 2ckj n SER 1215Cb 0.52 -1.27 0.43 0.00 -0.26 0.00 0.00 64.21 63.63 2ckj n SER 1215CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2ckj h PRO 1216N -0.38 0.56 -0.28 4.33 0.13 -1.85 0.55 132.00 135.06 2ckj h PRO 1216Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ckj h PRO 1216Cb 1.34 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ckj h PRO 1216CO 0.44 0.37 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 2ckj n GLU 1217N -4.47 1.89 -0.35 0.86 0.00 -1.26 -4.97 120.64 112.33 2ckj n GLU 1217Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 57.16 55.88 2ckj n GLU 1217Cb 0.23 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.29 2ckj n GLU 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 1218N 1.18 1.31 3.65 -1.84 0.00 0.19 -4.58 105.19 105.10 2ckj n GLY 1218Ca 0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2ckj n GLY 1218CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 1219N -2.22 6.65 0.17 1.61 0.15 -1.26 -4.62 113.70 114.17 2ckj s SER 1219Ca 0.00 0.79 -0.34 0.00 0.70 0.00 0.00 55.95 57.10 2ckj s SER 1219Cb 0.00 -2.34 -0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2ckj s SER 1219CO 0.00 -0.29 1.60 -0.11 1.20 0.00 0.00 173.24 175.64 2ckj n LEU 1220N 5.18 3.21 0.02 3.45 7.94 -1.26 -2.07 117.00 133.45 2ckj n LEU 1220Ca -0.02 1.08 -0.01 0.00 -1.11 0.00 0.00 56.01 55.96 2ckj n LEU 1220Cb 0.50 -1.44 -0.10 0.00 0.53 0.00 0.00 43.42 42.91 2ckj n LEU 1220CO 0.43 -0.23 -0.40 1.41 -1.11 0.00 0.00 177.39 177.50 2ckj n HIS 1221N 3.50 0.87 -3.77 1.96 8.25 0.19 -4.90 115.22 121.32 2ckj n HIS 1221Ca 0.17 0.29 -0.37 0.00 -0.26 0.00 0.00 57.72 57.55 2ckj n HIS 1221Cb 0.29 -1.06 -0.12 0.00 1.12 0.00 0.00 29.99 30.22 2ckj n HIS 1221CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ckj s THR 1222N -2.90 3.64 -0.08 1.59 -1.32 -1.25 -5.00 115.64 110.32 2ckj s THR 1222Ca -0.04 -1.30 0.23 0.00 -1.21 0.00 0.00 61.69 59.37 2ckj s THR 1222Cb 0.09 -3.13 0.44 0.00 -1.51 0.00 0.00 72.50 68.39 2ckj s THR 1222CO 0.82 -0.25 1.17 0.54 -2.21 0.00 0.00 174.62 174.68 2ckj n ARG 1223N 4.77 0.62 0.00 7.08 1.74 -1.26 -4.87 116.66 124.74 2ckj n ARG 1223Ca -0.11 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 2ckj n ARG 1223Cb 0.44 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 2ckj n ARG 1223CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ckj n GLY 1224N 0.07 0.45 0.25 -0.13 0.00 -1.26 -3.90 105.19 100.67 2ckj n GLY 1224Ca 0.09 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2ckj n GLY 1224CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ckj h PRO 1225N 0.00 0.00 0.20 1.61 0.13 -1.94 0.20 132.00 132.21 2ckj h PRO 1225Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2ckj h PRO 1225Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2ckj h PRO 1225CO 0.00 0.00 -1.22 0.66 -0.23 0.00 0.00 178.00 177.21 2ckj h SER 1226N 0.00 0.68 0.06 1.44 4.64 -1.93 -3.40 113.55 115.04 2ckj h SER 1226Ca 0.00 -0.93 -0.36 0.00 -0.47 0.00 0.00 61.79 60.02 2ckj h SER 1226Cb 1.66 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 63.47 2ckj h SER 1226CO 0.00 1.59 -2.32 0.35 -0.87 0.00 0.00 176.83 175.58 2ckj n THR 1227N -3.89 1.45 -3.11 2.95 -2.24 0.67 -4.54 114.28 105.57 2ckj n THR 1227Ca -0.16 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.40 2ckj n THR 1227Cb 0.99 -0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 2ckj n THR 1227CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ckj s TYR 1228N -2.51 3.05 -0.88 4.78 5.04 -0.95 -4.89 117.35 121.00 2ckj s TYR 1228Ca -0.15 -0.18 -0.14 0.00 -2.44 0.00 0.00 57.07 54.17 2ckj s TYR 1228Cb 0.07 -3.41 0.22 0.00 0.35 0.00 0.00 41.96 39.18 2ckj s TYR 1228CO 0.78 -0.93 0.86 0.15 -1.34 0.00 0.00 175.55 175.08 2ckj s LYS 1229N 2.81 3.69 0.80 4.97 -0.14 -1.26 -4.13 119.74 126.48 2ckj s LYS 1229Ca 0.21 -2.48 -0.12 0.00 -1.36 0.00 0.00 55.97 52.22 2ckj s LYS 1229Cb -0.15 -4.51 0.07 0.00 -1.68 0.00 0.00 37.83 31.56 2ckj s LYS 1229CO 0.17 -1.35 1.13 0.96 -0.76 0.00 0.00 175.35 175.51 2ckj s ILE 1230N 0.29 2.60 0.25 2.17 -4.36 -1.26 -4.26 121.20 116.64 2ckj s ILE 1230Ca 0.22 0.20 -0.27 0.00 -0.26 0.00 0.00 60.65 60.53 2ckj s ILE 1230Cb -0.09 -3.08 -0.09 0.00 1.25 0.00 0.00 42.46 40.45 2ckj s ILE 1230CO -0.09 -0.26 0.89 -2.16 0.24 0.00 0.00 174.94 173.57 2ckj s PRO 1231N -5.36 4.67 0.33 0.37 0.04 -1.26 -5.02 135.00 128.77 2ckj s PRO 1231Ca 0.61 1.33 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2ckj s PRO 1231Cb -0.13 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2ckj s PRO 1231CO 0.52 0.44 0.20 0.00 0.04 0.00 0.00 177.00 178.20 2ckj n ALA 1232N 1.15 0.47 -0.06 8.56 0.00 -1.26 -4.78 120.51 124.58 2ckj n ALA 1232Ca -0.01 -1.37 -0.10 0.00 0.00 0.00 0.00 53.44 51.96 2ckj n ALA 1232Cb 0.49 0.60 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 2ckj n ALA 1232CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2ckj h PHE 1233N 0.71 0.31 0.00 0.00 -1.00 -1.86 0.12 116.94 115.22 2ckj h PHE 1233Ca -0.22 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.55 2ckj h PHE 1233Cb 0.78 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2ckj h PHE 1233CO 0.00 0.29 0.51 0.41 -1.61 0.00 0.00 178.31 177.91 2ckj n GLY 1234N -0.89 -0.37 0.04 -1.45 0.00 -1.26 -3.49 105.19 97.77 2ckj n GLY 1234Ca -0.03 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2ckj n GLY 1234CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ckj n SER 1235N -1.76 0.43 -4.73 1.61 7.64 0.41 -4.97 113.62 112.25 2ckj n SER 1235Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2ckj n SER 1235Cb 0.52 1.57 0.09 0.00 -1.01 0.00 0.00 64.21 65.38 2ckj n SER 1235CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ckj s ILE 1236N -3.05 2.44 0.06 0.44 -5.25 -1.23 -4.79 121.20 109.83 2ckj s ILE 1236Ca -0.08 0.21 -0.37 0.00 -0.99 0.00 0.00 60.65 59.42 2ckj s ILE 1236Cb 0.10 -2.75 -0.18 0.00 2.95 0.00 0.00 42.46 42.58 2ckj s ILE 1236CO 0.81 -0.12 1.16 -0.81 -1.79 0.00 0.00 174.94 174.19 2ckj n PRO 1237N -2.76 0.59 -0.03 0.37 -0.04 -1.25 -4.82 135.00 127.06 2ckj n PRO 1237Ca 0.13 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2ckj n PRO 1237Cb 0.51 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2ckj n PRO 1237CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ckj h ILE 1238N 3.00 0.92 -3.77 0.52 1.08 -1.48 -3.37 117.51 114.42 2ckj h ILE 1238Ca -0.48 -0.04 -0.68 0.00 -0.39 0.00 0.00 64.86 63.28 2ckj h ILE 1238Cb 1.38 0.81 -0.27 0.00 -3.07 0.00 0.00 36.82 35.67 2ckj h ILE 1238CO 0.70 0.02 -0.80 -1.83 -0.69 0.00 0.00 178.15 175.55 2ckj s GLU 1239N -6.19 2.84 -0.33 2.37 -1.05 -1.09 -4.91 118.70 110.35 2ckj s GLU 1239Ca -0.13 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 2ckj s GLU 1239Cb 0.09 -2.41 0.10 0.00 -0.44 0.00 0.00 34.13 31.47 2ckj s GLU 1239CO 0.68 0.41 0.08 0.12 0.95 0.00 0.00 175.26 177.51 2ckj s PHE 1240N -0.19 2.53 -0.41 4.83 5.99 -1.26 -1.25 117.98 128.21 2ckj s PHE 1240Ca -0.01 -2.26 -0.05 0.00 0.00 0.00 0.00 56.93 54.61 2ckj s PHE 1240Cb -0.13 -2.20 0.10 0.00 0.00 0.00 0.00 43.02 40.78 2ckj s PHE 1240CO 0.03 -0.90 0.23 0.50 -0.00 0.00 0.00 175.22 175.07 2ckj s ARG 1241N 1.29 2.26 -0.01 10.12 3.52 0.27 -3.52 118.95 132.89 2ckj s ARG 1241Ca 0.10 -1.68 -0.11 0.00 -0.13 0.00 0.00 55.73 53.91 2ckj s ARG 1241Cb -0.18 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.50 2ckj s ARG 1241CO -0.18 -1.03 0.33 0.08 -0.81 0.00 0.00 175.30 173.69 2ckj s VAL 1242N 1.25 5.19 -0.09 7.11 1.01 -1.13 -0.80 120.40 132.94 2ckj s VAL 1242Ca 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 2ckj s VAL 1242Cb -0.23 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.58 2ckj s VAL 1242CO -0.02 0.49 0.21 -0.94 0.00 0.00 0.00 175.10 174.84 2ckj s SER 1243N -1.32 -0.21 0.02 3.32 1.04 -0.75 -2.43 113.70 113.37 2ckj s SER 1243Ca 0.24 0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.98 2ckj s SER 1243Cb -0.15 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 2ckj s SER 1243CO 0.13 -0.15 0.39 -0.76 0.98 0.00 0.00 173.24 173.83 2ckj s LEU 1244N 1.12 4.43 -0.12 2.42 1.43 -0.46 -1.38 118.68 126.12 2ckj s LEU 1244Ca -0.08 0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2ckj s LEU 1244Cb -0.10 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2ckj s LEU 1244CO -0.07 0.28 0.83 -0.22 0.23 0.00 0.00 176.35 177.40 2ckj s LEU 1245N -1.35 4.24 0.40 1.79 2.96 -0.54 -4.65 118.68 121.52 2ckj s LEU 1245Ca 0.26 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.32 2ckj s LEU 1245Cb -0.15 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.20 2ckj s LEU 1245CO 0.14 -0.32 0.78 0.00 -1.32 0.00 0.00 176.35 175.64 2ckj s ARG 1246N 1.67 3.85 -0.42 1.98 1.70 -1.26 -4.58 118.95 121.90 2ckj s ARG 1246Ca 0.40 0.56 -0.33 0.00 -0.47 0.00 0.00 55.73 55.90 2ckj s ARG 1246Cb -0.17 -2.37 0.05 0.00 -0.57 0.00 0.00 34.95 31.88 2ckj s ARG 1246CO 0.16 -0.01 0.59 -0.25 -1.08 0.00 0.00 175.30 174.71 2ckj n ASP 1247N -1.10 -4.79 -2.71 -2.89 8.00 -1.26 -5.01 116.55 106.78 2ckj n ASP 1247Ca 0.03 -0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.26 2ckj n ASP 1247Cb 0.54 -1.41 0.09 0.00 -0.02 0.00 0.00 41.12 40.33 2ckj n ASP 1247CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj s PRO 1249N 0.22 3.93 -0.25 0.00 0.02 -1.26 -4.53 135.00 133.13 2ckj s PRO 1249Ca 0.21 2.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 2ckj s PRO 1249Cb 0.30 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 2ckj s PRO 1249CO -0.08 -0.62 0.11 1.21 -0.33 0.00 0.00 177.00 177.28 2ckj s ASN 1250N -0.40 5.49 0.01 2.53 2.47 -1.09 -4.95 114.94 119.00 2ckj s ASN 1250Ca 0.56 -0.10 0.22 0.00 0.42 0.00 0.00 52.86 53.96 2ckj s ASN 1250Cb -0.44 -1.99 -0.13 0.00 -1.45 0.00 0.00 41.25 37.24 2ckj s ASN 1250CO 0.58 -0.01 0.86 2.29 -3.72 0.00 0.00 177.10 177.10 2ckj n LYS 1251N 4.76 0.27 0.00 0.43 2.85 -1.26 -3.89 118.16 121.32 2ckj n LYS 1251Ca -0.16 -0.05 0.16 0.00 -1.05 0.00 0.00 58.31 57.21 2ckj n LYS 1251Cb 0.52 -1.54 0.85 0.00 -0.65 0.00 0.00 35.03 34.21 2ckj n LYS 1251CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ckj n LYS 1252N -1.86 1.01 -3.93 -1.58 5.02 -1.26 -4.89 118.16 110.67 2ckj n LYS 1252Ca 0.01 -0.14 -0.11 0.00 -2.02 0.00 0.00 58.31 56.05 2ckj n LYS 1252Cb 0.43 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 2ckj n LYS 1252CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ckj s ALA 1253N -2.09 0.09 0.01 7.82 0.00 -1.25 -5.10 121.76 121.24 2ckj s ALA 1253Ca 0.44 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2ckj s ALA 1253Cb 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2ckj s ALA 1253CO 0.38 -0.04 0.16 1.51 0.00 0.00 0.00 175.76 177.77 2ckj n ILE 1254N 2.55 0.10 -1.84 0.00 3.06 -1.26 -1.95 119.36 120.02 2ckj n ILE 1254Ca -0.16 -0.02 -0.05 0.00 -2.50 0.00 0.00 62.75 60.01 2ckj n ILE 1254Cb 0.58 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.75 2ckj n ILE 1254CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2ckj n TYR 1255N 0.19 -0.16 -1.65 9.51 4.02 -1.26 -1.14 117.16 126.67 2ckj n TYR 1255Ca 0.03 0.09 -0.02 0.00 -0.01 0.00 0.00 57.90 57.99 2ckj n TYR 1255Cb 0.02 -0.24 -0.00 0.00 -0.02 0.00 0.00 39.34 39.10 2ckj n TYR 1255CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ckj n ALA 1256N -0.94 -0.05 -2.64 -0.72 0.00 -0.82 -4.85 120.51 110.48 2ckj n ALA 1256Ca 0.02 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2ckj n ALA 1256Cb 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 2ckj n ALA 1256CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ckj s SER 1257N -2.93 4.80 0.41 0.00 1.04 -0.29 -0.68 113.70 116.05 2ckj s SER 1257Ca 0.00 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.25 2ckj s SER 1257Cb 0.00 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2ckj s SER 1257CO 0.00 0.19 0.58 -0.54 0.98 0.00 0.00 173.24 174.45 2ckj s LYS 1258N -2.15 2.97 0.56 4.02 1.02 0.25 -4.72 119.74 121.69 2ckj s LYS 1258Ca 0.23 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 55.19 2ckj s LYS 1258Cb -0.11 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 2ckj s LYS 1258CO 0.15 -0.19 0.99 0.00 -0.92 0.00 0.00 175.35 175.38 2ckj s ALA 1259N -2.38 3.11 0.00 5.17 0.00 -1.26 -4.84 121.76 121.54 2ckj s ALA 1259Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2ckj s ALA 1259Cb -0.10 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2ckj s ALA 1259CO 0.34 -0.47 0.00 1.55 0.00 0.00 0.00 175.76 177.18 2ckj n VAL 1260N -2.20 0.00 -0.34 0.00 3.14 -1.26 -4.89 118.33 112.77 2ckj n VAL 1260Ca 0.06 -0.03 0.10 0.00 -2.96 0.00 0.00 64.34 61.51 2ckj n VAL 1260Cb 0.54 0.35 0.22 0.00 -1.06 0.00 0.00 33.84 33.88 2ckj n VAL 1260CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ckj n GLY 1261N 0.64 -1.46 0.42 7.55 0.00 -1.26 -4.32 105.19 106.75 2ckj n GLY 1261Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 46.02 46.92 2ckj n GLY 1261CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ckj n GLU 1262N -5.51 0.22 -0.29 1.61 1.02 -1.26 -4.78 120.64 111.65 2ckj n GLU 1262Ca 0.19 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 2ckj n GLU 1262Cb 0.63 -1.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.27 2ckj n GLU 1262CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ckj h PRO 1263N -0.21 0.57 0.00 3.49 0.11 -1.94 -1.83 132.00 132.19 2ckj h PRO 1263Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ckj h PRO 1263Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ckj h PRO 1263CO -0.11 0.38 0.00 -1.00 -0.21 0.00 0.00 178.00 177.06 2ckj h PRO 1264N 0.59 0.00 -0.01 1.05 0.13 -1.86 -3.09 132.00 128.80 2ckj h PRO 1264Ca 0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.54 2ckj h PRO 1264Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2ckj h PRO 1264CO -0.37 0.00 -0.23 1.25 -0.23 0.00 0.00 178.00 178.41 2ckj h LEU 1265N 0.00 0.01 -0.52 1.56 6.46 -1.53 -2.71 115.31 118.58 2ckj h LEU 1265Ca 0.00 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.60 2ckj h LEU 1265Cb 0.23 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2ckj h LEU 1265CO 0.00 0.25 -0.45 0.15 -0.62 0.00 0.00 178.44 177.77 2ckj h PHE 1266N 0.01 0.85 0.00 1.25 -0.00 -1.73 -3.20 116.94 114.13 2ckj h PHE 1266Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.97 57.70 2ckj h PHE 1266Cb 0.42 -0.17 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 2ckj h PHE 1266CO 0.00 1.02 0.51 1.28 -0.00 0.00 0.00 178.31 181.12 2ckj n LEU 1267N -4.02 0.16 -0.31 0.59 4.77 -1.02 -1.18 117.00 115.98 2ckj n LEU 1267Ca -0.02 0.38 0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2ckj n LEU 1267Cb 0.56 -0.24 0.20 0.00 -2.33 0.00 0.00 43.42 41.60 2ckj n LEU 1267CO 0.47 -0.43 1.26 0.00 -1.33 0.00 0.00 177.39 177.36 2ckj h ALA 1268N 0.60 1.42 0.00 -1.18 0.00 -1.76 -2.34 119.26 116.00 2ckj h ALA 1268Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ckj h ALA 1268Cb 1.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ckj h ALA 1268CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2ckj n ALA 1269N -2.39 0.00 0.01 0.00 0.00 -0.32 0.38 120.51 118.18 2ckj n ALA 1269Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.72 2ckj n ALA 1269Cb 0.10 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.17 2ckj n ALA 1269CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 1270N 0.00 0.13 0.07 0.00 4.64 -1.66 0.32 113.55 117.06 2ckj h SER 1270Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2ckj h SER 1270Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2ckj h SER 1270CO 0.00 0.08 -0.57 0.40 -0.87 0.00 0.00 176.83 175.87 2ckj h ILE 1271N 0.15 1.33 0.30 0.95 2.04 0.68 -1.82 117.51 121.14 2ckj h ILE 1271Ca 0.22 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2ckj h ILE 1271Cb 0.69 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2ckj h ILE 1271CO -0.03 0.57 -0.15 0.15 0.00 0.00 0.00 178.15 178.69 2ckj h PHE 1272N 0.39 -0.38 0.00 1.37 3.57 -0.13 -1.69 116.94 120.08 2ckj h PHE 1272Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2ckj h PHE 1272Cb 1.11 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2ckj h PHE 1272CO 0.04 -0.19 -0.08 0.74 -2.23 0.00 0.00 178.31 176.59 2ckj h PHE 1273N -0.47 0.00 0.00 0.41 -1.00 -1.03 -1.48 116.94 113.38 2ckj h PHE 1273Ca -0.04 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.58 2ckj h PHE 1273Cb 0.35 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2ckj h PHE 1273CO -0.04 0.08 -0.75 0.00 -1.61 0.00 0.00 178.31 175.99 2ckj h ALA 1274N 1.92 0.70 -0.21 2.45 0.00 -1.28 -1.76 119.26 121.09 2ckj h ALA 1274Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 2ckj h ALA 1274Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ckj h ALA 1274CO 0.01 0.94 -0.18 0.82 0.00 0.00 0.00 179.25 180.84 2ckj h ILE 1275N 0.00 1.32 -0.37 0.00 2.04 -0.66 -2.96 117.51 116.89 2ckj h ILE 1275Ca -0.01 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.53 2ckj h ILE 1275Cb 1.38 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 2ckj h ILE 1275CO 0.10 0.40 0.24 0.50 0.00 0.00 0.00 178.15 179.39 2ckj h LYS 1276N 0.17 0.48 -0.14 2.37 3.64 -1.20 -2.49 116.57 119.40 2ckj h LYS 1276Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2ckj h LYS 1276Cb 0.72 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2ckj h LYS 1276CO 0.05 0.32 0.00 0.22 -2.27 0.00 0.00 179.45 177.77 2ckj h ASP 1277N 0.50 -0.05 0.53 4.20 3.58 -1.29 -2.13 116.42 121.77 2ckj h ASP 1277Ca 0.13 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 2ckj h ASP 1277Cb -0.05 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2ckj h ASP 1277CO -0.03 -0.00 -0.49 0.00 -2.88 0.00 0.00 179.24 175.84 2ckj h ALA 1278N 1.12 1.15 0.02 -0.78 0.00 -1.34 -1.05 119.26 118.38 2ckj h ALA 1278Ca 0.07 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2ckj h ALA 1278Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ckj h ALA 1278CO -0.11 0.61 -0.17 0.82 0.00 0.00 0.00 179.25 180.41 2ckj h ILE 1279N 0.00 0.60 -0.70 0.00 1.08 -1.20 -2.63 117.51 114.67 2ckj h ILE 1279Ca -0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 2ckj h ILE 1279Cb 0.89 0.60 -0.09 0.00 -3.07 0.00 0.00 36.82 35.16 2ckj h ILE 1279CO 0.06 0.00 -0.45 0.03 -0.69 0.00 0.00 178.15 177.11 2ckj h ARG 1280N -0.28 -0.04 -0.53 2.37 2.47 -0.53 -0.29 114.38 117.54 2ckj h ARG 1280Ca 0.05 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.92 2ckj h ARG 1280Cb 0.34 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 2ckj h ARG 1280CO -0.14 -0.03 0.51 0.00 0.56 0.00 0.00 179.97 180.88 2ckj h ALA 1281N 0.07 2.31 0.01 0.04 0.00 -1.17 -0.13 119.26 120.40 2ckj h ALA 1281Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 2ckj h ALA 1281Cb 0.33 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2ckj h ALA 1281CO -0.68 -0.79 -1.74 0.00 0.00 0.00 0.00 179.25 176.04 2ckj n ALA 1282N -2.42 1.45 -0.01 0.00 0.00 -0.24 -3.27 120.51 116.02 2ckj n ALA 1282Ca 0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 2ckj n ALA 1282Cb 0.73 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 2ckj n ALA 1282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ARG 1283N 0.00 0.08 0.00 0.00 3.08 0.12 -2.95 114.38 114.72 2ckj h ARG 1283Ca -0.30 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2ckj h ARG 1283Cb 2.02 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.05 2ckj h ARG 1283CO 0.08 0.05 -0.10 0.00 -1.07 0.00 0.00 179.97 178.93 2ckj h ALA 1284N 1.07 1.02 -0.02 0.04 0.00 -1.21 -0.67 119.26 119.49 2ckj h ALA 1284Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ckj h ALA 1284Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ckj h ALA 1284CO -0.06 0.13 -0.10 0.37 0.00 0.00 0.00 179.25 179.59 2ckj h GLN 1285N 0.00 0.10 -0.56 0.00 4.15 -1.53 -3.40 115.11 113.88 2ckj h GLN 1285Ca -0.00 -0.08 -0.35 0.00 0.77 0.00 0.00 58.65 58.98 2ckj h GLN 1285Cb 0.62 0.02 -0.22 0.00 0.21 0.00 0.00 27.48 28.11 2ckj h GLN 1285CO 0.01 0.75 -0.11 0.72 -1.93 0.00 0.00 178.83 178.27 2ckj n HIS 1286N -4.66 1.85 -0.92 3.99 8.25 -1.12 -4.37 115.22 118.24 2ckj n HIS 1286Ca -0.09 -1.98 0.09 0.00 -0.26 0.00 0.00 57.72 55.48 2ckj n HIS 1286Cb 0.38 -0.61 0.19 0.00 1.12 0.00 0.00 29.99 31.08 2ckj n HIS 1286CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2ckj n THR 1287N -1.00 1.99 0.00 1.59 5.66 -0.26 -4.52 114.28 117.74 2ckj n THR 1287Ca 0.41 -1.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.48 2ckj n THR 1287Cb 0.98 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 2ckj n THR 1287CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ckj n GLY 1288N -0.81 0.57 0.00 1.09 0.00 -1.26 -4.39 105.19 100.39 2ckj n GLY 1288Ca 0.18 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2ckj n GLY 1288CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 1289N 4.56 0.00 -2.77 1.61 0.23 -1.26 -4.80 115.26 112.82 2ckj n ASN 1289Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 2ckj n ASN 1289Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ckj n ASN 1289CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ckj n ASN 1290N 0.00 -8.01 0.00 0.53 4.13 -1.26 -4.77 115.26 105.88 2ckj n ASN 1290Ca 0.00 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.38 2ckj n ASN 1290Cb 0.00 -5.32 0.00 0.00 -1.54 0.00 0.00 39.78 32.92 2ckj n ASN 1290CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2ckj n VAL 1291N 0.36 0.00 -3.60 2.41 0.24 -1.26 -4.02 118.33 112.47 2ckj n VAL 1291Ca 0.04 0.53 -0.27 0.00 -2.04 0.00 0.00 64.34 62.60 2ckj n VAL 1291Cb 0.17 -0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 31.54 2ckj n VAL 1291CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ckj n LYS 1292N -0.37 1.90 -1.30 7.34 5.02 -1.26 -5.14 118.16 124.35 2ckj n LYS 1292Ca 0.00 -4.36 -0.38 0.00 -2.02 0.00 0.00 58.31 51.56 2ckj n LYS 1292Cb 0.00 -2.14 0.04 0.00 -0.02 0.00 0.00 35.03 32.91 2ckj n LYS 1292CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ckj n GLU 1293N 1.52 0.24 -3.63 1.97 -0.58 -1.26 -4.90 120.64 114.00 2ckj n GLU 1293Ca 0.25 0.10 -0.28 0.00 -0.42 0.00 0.00 57.16 56.81 2ckj n GLU 1293Cb 0.40 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.72 2ckj n GLU 1293CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ckj s LEU 1294N 2.57 2.65 -0.13 -4.62 1.43 -1.26 -4.97 118.68 114.35 2ckj s LEU 1294Ca 0.61 -3.03 -0.06 0.00 -1.03 0.00 0.00 54.13 50.62 2ckj s LEU 1294Cb -0.41 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2ckj s LEU 1294CO 0.62 -0.19 0.09 0.72 0.23 0.00 0.00 176.35 177.81 2ckj s PHE 1295N -0.12 3.39 -0.30 0.29 -0.12 -1.26 -5.05 117.98 114.81 2ckj s PHE 1295Ca 0.24 0.32 -0.33 0.00 -0.05 0.00 0.00 56.93 57.11 2ckj s PHE 1295Cb -0.10 -1.96 -0.10 0.00 -0.63 0.00 0.00 43.02 40.23 2ckj s PHE 1295CO -0.10 0.49 2.18 -2.13 -0.05 0.00 0.00 175.22 175.61 2ckj n ARG 1296N 2.55 1.35 -4.24 1.99 3.00 -1.26 -5.02 116.66 115.02 2ckj n ARG 1296Ca -0.18 0.37 -0.29 0.00 -0.00 0.00 0.00 57.85 57.75 2ckj n ARG 1296Cb 0.54 -2.66 -0.17 0.00 0.00 0.00 0.00 32.46 30.17 2ckj n ARG 1296CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2ckj s LEU 1297N 7.41 1.66 0.01 6.15 2.96 -1.26 -5.08 118.68 130.53 2ckj s LEU 1297Ca 1.07 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2ckj s LEU 1297Cb -0.72 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2ckj s LEU 1297CO 0.46 -0.02 0.04 -1.81 -1.32 0.00 0.00 176.35 173.69 2ckj s ASP 1298N 1.24 5.35 -0.33 3.68 1.01 -1.26 -4.86 116.67 121.50 2ckj s ASP 1298Ca -0.01 0.04 -0.23 0.00 0.71 0.00 0.00 52.55 53.06 2ckj s ASP 1298Cb -0.14 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.35 2ckj s ASP 1298CO -0.06 0.26 0.75 -0.55 0.21 0.00 0.00 175.17 175.78 2ckj s SER 1299N -1.74 6.59 -0.04 0.27 0.15 -1.07 -4.09 113.70 113.77 2ckj s SER 1299Ca 0.22 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.44 2ckj s SER 1299Cb -0.12 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2ckj s SER 1299CO 0.13 -0.62 -0.23 -2.84 1.20 0.00 0.00 173.24 170.88 2ckj s PRO 1300N 2.92 2.33 -1.33 5.44 0.02 -1.26 0.22 135.00 143.33 2ckj s PRO 1300Ca 0.30 -0.87 -0.11 0.00 0.02 0.00 0.00 61.00 60.34 2ckj s PRO 1300Cb -0.14 -2.16 0.13 0.00 0.02 0.00 0.00 34.50 32.35 2ckj s PRO 1300CO 0.14 0.53 1.95 0.00 -0.33 0.00 0.00 177.00 179.28 2ckj n ALA 1301N 2.55 5.25 -0.89 -1.55 0.00 0.17 -4.83 120.51 121.22 2ckj n ALA 1301Ca -0.17 -4.16 -0.31 0.00 0.00 0.00 0.00 53.44 48.81 2ckj n ALA 1301Cb 0.52 -3.18 0.15 0.00 0.00 0.00 0.00 19.45 16.94 2ckj n ALA 1301CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ckj s THR 1302N 1.46 2.46 0.08 0.00 -4.23 -1.24 -4.67 115.64 109.50 2ckj s THR 1302Ca 0.43 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 2ckj s THR 1302Cb 0.10 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.61 2ckj s THR 1302CO -0.02 -0.20 0.66 -2.65 -0.54 0.00 0.00 174.62 171.87 2ckj n PRO 1303N -4.09 -0.15 -0.02 3.99 -0.02 -1.24 -0.34 135.00 133.13 2ckj n PRO 1303Ca 0.09 0.65 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2ckj n PRO 1303Cb 0.53 -0.96 -0.02 0.00 -0.02 0.00 0.00 33.50 33.03 2ckj n PRO 1303CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ckj h GLU 1304N 0.00 -0.07 0.00 -0.52 4.81 -1.89 0.25 114.58 117.15 2ckj h GLU 1304Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2ckj h GLU 1304Cb 0.21 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2ckj h GLU 1304CO -0.41 -0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.45 2ckj n LYS 1305N -3.17 0.13 -0.09 1.92 5.02 -0.64 -1.25 118.16 120.08 2ckj n LYS 1305Ca -0.01 0.48 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 2ckj n LYS 1305Cb 0.06 -1.82 -0.09 0.00 -0.02 0.00 0.00 35.03 33.17 2ckj n LYS 1305CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2ckj h ILE 1306N 0.00 0.78 -0.55 -0.18 2.04 -0.37 -3.29 117.51 115.94 2ckj h ILE 1306Ca 0.00 -1.88 0.06 0.00 1.00 0.00 0.00 64.86 64.04 2ckj h ILE 1306Cb 0.20 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2ckj h ILE 1306CO 0.00 0.26 0.37 -0.09 0.00 0.00 0.00 178.15 178.69 2ckj h ARG 1307N -1.00 0.50 -0.58 2.37 9.65 -0.02 -2.80 114.38 122.49 2ckj h ARG 1307Ca -0.21 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.53 2ckj h ARG 1307Cb 1.03 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 2ckj h ARG 1307CO -0.13 0.33 -0.05 -0.91 2.80 0.00 0.00 179.97 182.01 2ckj h ASN 1308N 0.51 1.04 -0.16 -3.80 2.35 -1.32 -1.93 115.58 112.27 2ckj h ASN 1308Ca 0.24 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2ckj h ASN 1308Cb 0.28 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2ckj h ASN 1308CO -0.07 1.11 0.00 0.00 -1.65 0.00 0.00 177.43 176.83 2ckj n ALA 1309N -2.49 2.52 -2.84 -0.83 0.00 -1.06 -4.45 120.51 111.35 2ckj n ALA 1309Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 2ckj n ALA 1309Cb 0.37 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.74 2ckj n ALA 1309CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s VAL 1311N -3.27 4.28 0.28 0.00 0.11 -1.26 -4.94 120.40 115.60 2ckj s VAL 1311Ca 0.34 1.54 0.06 0.00 -2.93 0.00 0.00 61.98 61.00 2ckj s VAL 1311Cb 0.10 -4.01 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2ckj s VAL 1311CO 0.02 -0.16 0.24 -0.90 -3.33 0.00 0.00 175.10 170.97 2ckj n ASP 1312N 6.68 -0.62 -0.06 3.54 5.68 -1.26 -4.47 116.55 126.04 2ckj n ASP 1312Ca 0.14 -2.86 0.01 0.00 -0.50 0.00 0.00 54.79 51.57 2ckj n ASP 1312Cb 0.45 1.45 0.02 0.00 -1.14 0.00 0.00 41.12 41.89 2ckj n ASP 1312CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ckj n LYS 1313N -0.54 -0.02 -0.06 0.11 4.76 -1.26 -2.83 118.16 118.32 2ckj n LYS 1313Ca 0.07 0.25 -0.06 0.00 -2.87 0.00 0.00 58.31 55.70 2ckj n LYS 1313Cb 0.52 -0.38 -0.05 0.00 -1.84 0.00 0.00 35.03 33.28 2ckj n LYS 1313CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2ckj h PHE 1314N 0.00 0.00 -0.95 2.13 0.05 -1.97 -3.38 116.94 112.82 2ckj h PHE 1314Ca 0.07 0.00 0.17 0.00 3.82 0.00 0.00 57.97 62.04 2ckj h PHE 1314Cb 0.11 0.00 -0.17 0.00 2.00 0.00 0.00 35.95 37.89 2ckj h PHE 1314CO -0.13 0.39 -0.29 -2.37 -0.18 0.00 0.00 178.31 175.73 2ckj n THR 1315N -4.69 -0.44 -0.09 -1.55 5.66 -1.13 0.42 114.28 112.47 2ckj n THR 1315Ca -0.06 2.19 -0.02 0.00 -3.05 0.00 0.00 64.05 63.11 2ckj n THR 1315Cb 0.22 -2.99 -0.02 0.00 -1.55 0.00 0.00 70.33 65.99 2ckj n THR 1315CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2ckj n THR 1316N -5.50 -0.14 -0.02 1.09 -1.04 -1.20 -2.84 114.28 104.64 2ckj n THR 1316Ca 0.13 0.85 0.19 0.00 -2.04 0.00 0.00 64.05 63.19 2ckj n THR 1316Cb 0.44 -1.09 0.66 0.00 -1.82 0.00 0.00 70.33 68.52 2ckj n THR 1316CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ckj h LEU 1317N 0.00 0.06 0.00 -4.42 3.38 -0.21 -3.37 115.31 110.75 2ckj h LEU 1317Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ckj h LEU 1317Cb 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2ckj h LEU 1317CO -0.19 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.37 2ckj n VAL 1319N 0.00 -2.90 -0.61 0.00 0.31 -1.26 -5.15 118.33 108.73 2ckj n VAL 1319Ca 0.00 -0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2ckj n VAL 1319Cb 0.00 -3.64 -0.02 0.00 -0.91 0.00 0.00 33.84 29.27 2ckj n VAL 1319CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2ckj n THR 1320N -3.96 0.00 0.00 2.52 -2.24 -1.26 -5.16 114.28 104.18 2ckj n THR 1320Ca -0.07 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2ckj n THR 1320Cb 0.57 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2ckj n THR 1320CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n LYS 1327N -2.07 0.00 0.00 0.00 4.76 -1.26 -4.99 118.16 114.59 2ckj n LYS 1327Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2ckj n LYS 1327Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2ckj n LYS 1327CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2ckj n PRO 1328N 0.00 0.00 0.00 1.97 -0.04 -1.26 -5.02 135.00 130.65 2ckj n PRO 1328Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ckj n PRO 1328Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ckj n PRO 1328CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2ckj n TRP 1329N 0.00 0.00 -3.62 0.54 -0.00 -1.26 -4.84 117.44 108.27 2ckj n TRP 1329Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 2ckj n TRP 1329Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 2ckj n TRP 1329CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2ckj s SER 1330N 0.00 -0.34 0.00 5.87 1.04 -1.26 -4.31 113.70 114.70 2ckj s SER 1330Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2ckj s SER 1330Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2ckj s SER 1330CO 0.00 -0.98 0.00 0.55 0.98 0.00 0.00 173.24 173.79 2ckj n VAL 1331N -0.32 0.00 -1.62 5.02 3.14 -1.20 -4.74 118.33 118.61 2ckj n VAL 1331Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2ckj n VAL 1331Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.41 2ckj n VAL 1331CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26