#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jki s SER 11 N 0.00 -0.06 -0.09 8.00 0.15 -1.26 -4.77 113.70 115.67 1jki s SER 11 Ca 0.00 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 55.99 1jki s SER 11 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1jki s SER 11 CO 0.00 -0.92 -0.20 -0.69 1.20 0.00 0.00 173.24 172.64 1jki s VAL 12 N -3.92 1.73 -0.26 4.45 1.01 -0.99 -5.01 120.40 117.42 1jki s VAL 12 Ca 0.12 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1jki s VAL 12 Cb 0.02 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.96 1jki s VAL 12 CO -0.03 0.49 -0.06 -0.75 0.00 0.00 0.00 175.10 174.74 1jki s LYS 13 N 0.44 1.82 -0.24 2.72 2.47 -1.26 -4.95 119.74 120.74 1jki s LYS 13 Ca -0.17 -1.21 -0.07 0.00 -1.56 0.00 0.00 55.97 52.96 1jki s LYS 13 Cb -0.17 -2.74 -0.03 0.00 -1.46 0.00 0.00 37.83 33.43 1jki s LYS 13 CO 0.07 -0.63 0.05 0.54 0.16 0.00 0.00 175.35 175.54 1jki s VAL 14 N 1.24 4.22 -0.53 4.02 0.11 -1.26 -5.08 120.40 123.13 1jki s VAL 14 Ca -0.05 -0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 1jki s VAL 14 Cb -0.19 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1jki s VAL 14 CO -0.06 0.36 1.53 0.68 -3.33 0.00 0.00 175.10 174.28 1jki s VAL 15 N 1.49 3.69 0.13 2.04 -7.23 -1.26 -4.93 120.40 114.33 1jki s VAL 15 Ca 0.06 0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 60.64 1jki s VAL 15 Cb -0.15 -4.24 0.04 0.00 0.56 0.00 0.00 36.38 32.60 1jki s VAL 15 CO 0.03 -1.00 0.44 0.28 -0.31 0.00 0.00 175.10 174.54 1jki s THR 16 N 6.59 0.05 -1.22 5.32 -1.32 -1.26 -4.98 115.64 118.82 1jki s THR 16 Ca 0.59 -0.45 0.18 0.00 -1.21 0.00 0.00 61.69 60.80 1jki s THR 16 Cb -0.13 -1.13 0.66 0.00 -1.51 0.00 0.00 72.50 70.40 1jki s THR 16 CO 0.26 -0.25 1.57 -0.90 -2.21 0.00 0.00 174.62 173.10 1jki n ASP 17 N -0.26 4.43 0.09 8.08 5.75 -1.26 -4.00 116.55 129.38 1jki n ASP 17 Ca -0.16 -2.36 0.13 0.00 -0.01 0.00 0.00 54.79 52.38 1jki n ASP 17 Cb 0.64 -0.53 0.29 0.00 -1.03 0.00 0.00 41.12 40.49 1jki n ASP 17 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1jki h LYS 18 N 3.84 0.00 -5.10 0.11 1.57 -1.94 -3.45 116.57 111.60 1jki h LYS 18 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1jki h LYS 18 Cb 1.31 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.31 1jki h LYS 18 CO 0.17 0.00 -0.79 0.00 -0.57 0.00 0.00 179.45 178.26 1jki s THR 20 N 1.13 1.89 -0.76 0.00 -4.23 -0.22 -4.93 115.64 108.52 1jki s THR 20 Ca 0.01 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.35 1jki s THR 20 Cb -0.14 -1.61 0.11 0.00 1.34 0.00 0.00 72.50 72.20 1jki s THR 20 CO -0.04 0.53 0.96 -0.31 -0.54 0.00 0.00 174.62 175.22 1jki s TYR 21 N -0.05 2.96 0.00 3.99 1.51 -1.26 0.51 117.35 125.01 1jki s TYR 21 Ca -0.05 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 54.98 1jki s TYR 21 Cb -0.14 -4.21 0.00 0.00 -0.11 0.00 0.00 41.96 37.50 1jki s TYR 21 CO 0.04 -1.49 0.00 1.17 -1.11 0.00 0.00 175.55 174.16 1jki n LYS 22 N 6.82 1.03 0.00 -0.62 4.81 -0.14 -4.86 118.16 125.21 1jki n LYS 22 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1jki n LYS 22 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1jki n LYS 22 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jki n ASP 23 N 0.00 0.00 -2.71 3.14 5.68 -1.26 -4.03 116.55 117.37 1jki n ASP 23 Ca 0.00 0.97 -0.08 0.00 -0.50 0.00 0.00 54.79 55.18 1jki n ASP 23 Cb 0.00 -0.47 0.10 0.00 -1.14 0.00 0.00 41.12 39.61 1jki n ASP 23 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jki n ASN 24 N -2.86 -2.05 -3.97 -1.12 5.03 -1.26 -5.12 115.26 103.91 1jki n ASN 24 Ca 0.00 -2.96 -0.09 0.00 0.87 0.00 0.00 54.58 52.40 1jki n ASN 24 Cb 0.00 1.44 -0.11 0.00 -1.02 0.00 0.00 39.78 40.09 1jki n ASN 24 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jki s GLU 25 N 0.22 0.31 -0.09 3.52 2.56 -1.26 -2.94 118.70 121.01 1jki s GLU 25 Ca 0.21 -0.59 0.04 0.00 0.00 0.00 0.00 54.97 54.63 1jki s GLU 25 Cb 0.33 0.11 -0.01 0.00 2.00 0.00 0.00 34.13 36.56 1jki s GLU 25 CO -0.07 -0.05 -0.21 -1.17 -0.56 0.00 0.00 175.26 173.20 1jki s LEU 26 N -1.42 2.30 -0.17 2.70 2.96 -0.89 -0.97 118.68 123.19 1jki s LEU 26 Ca -0.16 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 1jki s LEU 26 Cb -0.10 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1jki s LEU 26 CO -0.01 0.21 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.37 1jki s LEU 27 N 0.08 2.75 -0.07 -0.68 1.43 0.18 -1.97 118.68 120.42 1jki s LEU 27 Ca -0.09 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1jki s LEU 27 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1jki s LEU 27 CO 0.06 0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.68 1jki s THR 28 N 0.87 1.34 0.07 5.49 2.01 0.33 -1.06 115.64 124.68 1jki s THR 28 Ca -0.03 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1jki s THR 28 Cb -0.15 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.11 1jki s THR 28 CO 0.00 0.40 0.43 -0.75 -0.69 0.00 0.00 174.62 174.01 1jki s LYS 29 N 0.47 3.85 -0.14 4.92 2.36 0.22 -1.96 119.74 129.47 1jki s LYS 29 Ca -0.13 0.31 -0.10 0.00 -2.55 0.00 0.00 55.97 53.50 1jki s LYS 29 Cb -0.15 -3.06 0.04 0.00 -1.05 0.00 0.00 37.83 33.61 1jki s LYS 29 CO 0.04 0.59 0.34 -0.47 1.55 0.00 0.00 175.35 177.40 1jki s TYR 30 N -1.31 -0.43 -0.46 4.03 6.14 -0.67 -4.88 117.35 119.78 1jki s TYR 30 Ca 0.31 0.99 -0.14 0.00 0.64 0.00 0.00 57.07 58.88 1jki s TYR 30 Cb -0.15 0.15 0.07 0.00 0.42 0.00 0.00 41.96 42.46 1jki s TYR 30 CO 0.17 -0.24 0.36 0.45 0.64 0.00 0.00 175.55 176.93 1jki s SER 31 N 0.72 6.00 -0.85 4.32 0.15 -1.26 -1.44 113.70 121.34 1jki s SER 31 Ca -0.04 -1.38 -0.25 0.00 0.70 0.00 0.00 55.95 54.97 1jki s SER 31 Cb -0.06 -2.13 0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1jki s SER 31 CO -0.05 -0.62 1.34 -0.47 1.20 0.00 0.00 173.24 174.64 1jki s TYR 32 N 1.58 2.40 0.01 3.44 6.04 -0.23 -4.95 117.35 125.63 1jki s TYR 32 Ca 0.04 -0.39 -0.14 0.00 0.04 0.00 0.00 57.07 56.62 1jki s TYR 32 Cb -0.24 -4.65 -0.06 0.00 -1.04 0.00 0.00 41.96 35.98 1jki s TYR 32 CO 0.05 -2.01 0.40 -1.21 -1.54 0.00 0.00 175.55 171.24 1jki s GLU 33 N 5.37 3.88 0.00 4.97 2.02 -1.26 -2.55 118.70 131.13 1jki s GLU 33 Ca 0.39 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.74 1jki s GLU 33 Cb -0.05 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1jki s GLU 33 CO 0.05 0.68 0.00 -1.71 0.02 0.00 0.00 175.26 174.30 1jki n ASN 34 N 1.71 0.00 -3.55 -0.19 2.85 -0.87 -4.99 115.26 110.21 1jki n ASN 34 Ca -0.13 -0.34 -0.15 0.00 -0.11 0.00 0.00 54.58 53.84 1jki n ASN 34 Cb 0.52 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.49 1jki n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jki s ALA 35 N -1.22 -1.83 -0.02 5.20 0.00 -1.26 -0.76 121.76 121.87 1jki s ALA 35 Ca 0.00 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1jki s ALA 35 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1jki s ALA 35 CO 0.00 -0.34 -0.26 0.08 0.00 0.00 0.00 175.76 175.24 1jki s VAL 36 N -0.98 2.02 0.02 0.00 1.01 -0.67 -4.93 120.40 116.87 1jki s VAL 36 Ca -0.07 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.87 1jki s VAL 36 Cb -0.01 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1jki s VAL 36 CO 0.06 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.89 1jki s VAL 37 N -0.57 1.16 0.14 2.92 1.01 -1.25 -0.20 120.40 123.59 1jki s VAL 37 Ca 0.09 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1jki s VAL 37 Cb -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1jki s VAL 37 CO -0.01 0.15 -0.12 0.42 0.00 0.00 0.00 175.10 175.53 1jki s THR 38 N -0.64 1.28 -0.05 3.92 -4.23 -0.39 -4.96 115.64 110.58 1jki s THR 38 Ca 0.04 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1jki s THR 38 Cb -0.07 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1jki s THR 38 CO 0.01 -0.55 -0.23 -0.75 -0.54 0.00 0.00 174.62 172.55 1jki s LYS 39 N -3.11 2.44 0.06 3.99 2.20 -1.26 -1.73 119.74 122.32 1jki s LYS 39 Ca 0.12 -0.88 -0.35 0.00 -0.36 0.00 0.00 55.97 54.51 1jki s LYS 39 Cb -0.02 -2.17 -0.19 0.00 -1.51 0.00 0.00 37.83 33.93 1jki s LYS 39 CO 0.02 0.47 1.53 1.79 -0.36 0.00 0.00 175.35 178.80 1jki h THR 40 N 4.79 0.14 0.00 3.43 1.35 -1.43 -3.47 112.91 117.72 1jki h THR 40 Ca -0.37 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1jki h THR 40 Cb 1.16 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1jki h THR 40 CO 0.48 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.75 1jki n ALA 41 N -2.61 0.00 -0.37 6.62 0.00 -1.26 -4.86 120.51 118.03 1jki n ALA 41 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1jki n ALA 41 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1jki n ALA 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jki n SER 42 N 0.00 1.08 0.00 0.00 3.41 -1.26 -5.00 113.62 111.85 1jki n SER 42 Ca 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1jki n SER 42 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jki n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jki n GLY 43 N -0.22 0.52 3.51 5.00 0.00 -1.26 -5.06 105.19 107.68 1jki n GLY 43 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1jki n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jki s ARG 44 N -2.12 3.18 -0.33 1.61 3.52 -1.26 -4.95 118.95 118.60 1jki s ARG 44 Ca 0.00 -0.57 -0.11 0.00 -0.13 0.00 0.00 55.73 54.92 1jki s ARG 44 Cb 0.00 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.68 1jki s ARG 44 CO 0.00 0.43 0.20 -0.06 -0.81 0.00 0.00 175.30 175.06 1jki s PHE 45 N -0.18 3.21 -0.18 5.12 0.40 -1.26 -0.98 117.98 124.11 1jki s PHE 45 Ca 0.02 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 55.73 1jki s PHE 45 Cb -0.13 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 1jki s PHE 45 CO 0.03 -0.43 0.53 -0.51 0.70 0.00 0.00 175.22 175.54 1jki s ASP 46 N 1.66 6.62 -0.19 1.36 1.01 -0.71 -4.90 116.67 121.52 1jki s ASP 46 Ca 0.05 0.74 0.01 0.00 0.71 0.00 0.00 52.55 54.07 1jki s ASP 46 Cb -0.17 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.48 1jki s ASP 46 CO 0.08 -0.15 -0.16 -0.69 0.21 0.00 0.00 175.17 174.46 1jki s VAL 47 N 1.44 1.93 -0.41 -1.27 1.01 -1.26 -1.27 120.40 120.58 1jki s VAL 47 Ca 0.26 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1jki s VAL 47 Cb -0.15 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.45 1jki s VAL 47 CO 0.10 0.36 0.24 -0.89 0.00 0.00 0.00 175.10 174.91 1jki s THR 48 N 1.30 4.07 0.93 3.92 2.01 0.72 -4.96 115.64 123.63 1jki s THR 48 Ca 0.01 -1.45 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1jki s THR 48 Cb -0.15 -3.51 0.15 0.00 0.01 0.00 0.00 72.50 69.01 1jki s THR 48 CO -0.10 -0.50 1.10 -2.84 -0.69 0.00 0.00 174.62 171.59 1jki s PRO 49 N 1.39 0.94 0.03 4.92 0.02 -1.26 -1.67 135.00 139.37 1jki s PRO 49 Ca 0.03 1.18 -0.00 0.00 0.02 0.00 0.00 61.00 62.23 1jki s PRO 49 Cb -0.23 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1jki s PRO 49 CO 0.01 -2.56 -0.04 0.95 -0.33 0.00 0.00 177.00 175.03 1jki s THR 50 N -2.73 0.21 0.01 0.99 -4.23 0.06 -4.79 115.64 105.16 1jki s THR 50 Ca 0.65 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1jki s THR 50 Cb -0.21 -0.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1jki s THR 50 CO 0.59 -0.65 0.06 -0.69 -0.54 0.00 0.00 174.62 173.38 1jki s VAL 51 N -2.27 0.09 -0.17 2.29 1.01 -1.26 -2.05 120.40 118.04 1jki s VAL 51 Ca -0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1jki s VAL 51 Cb -0.04 -0.33 0.07 0.00 0.00 0.00 0.00 36.38 36.08 1jki s VAL 51 CO -0.04 -0.39 0.37 -1.58 0.00 0.00 0.00 175.10 173.46 1jki s GLN 52 N -1.26 0.30 0.07 2.72 2.00 -1.06 -5.03 119.66 117.40 1jki s GLN 52 Ca -0.14 0.86 -0.03 0.00 -2.00 0.00 0.00 55.36 54.06 1jki s GLN 52 Cb -0.08 0.12 -0.05 0.00 0.80 0.00 0.00 33.01 33.80 1jki s GLN 52 CO 0.00 -0.22 0.27 -0.51 -0.50 0.00 0.00 175.29 174.33 1jki s ASP 53 N 2.10 6.43 0.08 6.67 1.11 -1.26 -1.07 116.67 130.73 1jki s ASP 53 Ca -0.04 0.43 0.01 0.00 0.18 0.00 0.00 52.55 53.13 1jki s ASP 53 Cb -0.11 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1jki s ASP 53 CO -0.12 0.16 -0.05 -0.31 1.18 0.00 0.00 175.17 176.03 1jki s TYR 54 N -1.50 0.73 -0.04 4.23 1.51 -0.52 -1.19 117.35 120.58 1jki s TYR 54 Ca 0.35 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.50 1jki s TYR 54 Cb -0.13 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 1jki s TYR 54 CO 0.24 -0.23 -0.14 0.08 -1.11 0.00 0.00 175.55 174.39 1jki s VAL 55 N -3.58 1.16 -0.07 0.71 1.01 0.27 -1.67 120.40 118.23 1jki s VAL 55 Ca 0.08 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1jki s VAL 55 Cb 0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1jki s VAL 55 CO -0.06 0.34 -0.15 -0.36 0.00 0.00 0.00 175.10 174.87 1jki s PHE 56 N 0.16 2.70 -0.13 5.22 0.40 -0.83 0.23 117.98 125.74 1jki s PHE 56 Ca -0.05 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1jki s PHE 56 Cb -0.11 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1jki s PHE 56 CO 0.02 0.02 -0.19 0.21 0.70 0.00 0.00 175.22 175.98 1jki s LYS 57 N -0.34 2.65 -0.30 0.44 2.20 0.33 -0.52 119.74 124.20 1jki s LYS 57 Ca 0.03 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1jki s LYS 57 Cb -0.13 -2.19 0.08 0.00 -1.51 0.00 0.00 37.83 34.09 1jki s LYS 57 CO 0.02 -0.04 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.79 1jki s LEU 58 N 0.91 4.13 -0.26 5.43 0.20 -0.83 0.20 118.68 128.45 1jki s LEU 58 Ca -0.07 -1.74 -0.28 0.00 0.69 0.00 0.00 54.13 52.74 1jki s LEU 58 Cb -0.15 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1jki s LEU 58 CO -0.02 -0.29 2.07 -0.62 -0.29 0.00 0.00 176.35 177.19 1jki s ASP 59 N 1.07 5.61 0.00 3.68 3.68 0.26 -2.10 116.67 128.87 1jki s ASP 59 Ca 0.00 1.69 0.15 0.00 2.13 0.00 0.00 52.55 56.52 1jki s ASP 59 Cb -0.20 -2.52 0.75 0.00 -1.45 0.00 0.00 42.92 39.50 1jki s ASP 59 CO -0.06 -1.87 1.50 0.18 0.13 0.00 0.00 175.17 175.05 1jki n LEU 60 N 11.17 0.52 -4.54 -1.34 4.77 -1.15 -4.71 117.00 121.72 1jki n LEU 60 Ca 0.27 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1jki n LEU 60 Cb 0.46 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1jki n LEU 60 CO 0.67 0.12 0.30 -1.59 -1.33 0.00 0.00 177.39 175.56 1jki s LYS 61 N -1.91 3.51 0.04 3.23 0.00 -1.26 -4.99 119.74 118.35 1jki s LYS 61 Ca 0.23 -0.21 -0.18 0.00 0.00 0.00 0.00 55.97 55.82 1jki s LYS 61 Cb 0.11 -3.86 -0.06 0.00 0.00 0.00 0.00 37.83 34.02 1jki s LYS 61 CO 0.18 -0.78 0.51 -1.59 0.00 0.00 0.00 175.35 173.67 1jki s LYS 62 N 2.57 4.10 0.23 1.78 -2.85 -1.26 -5.02 119.74 119.29 1jki s LYS 62 Ca 0.21 0.61 -0.31 0.00 -1.00 0.00 0.00 55.97 55.48 1jki s LYS 62 Cb -0.15 -3.24 -0.14 0.00 -2.06 0.00 0.00 37.83 32.24 1jki s LYS 62 CO 0.15 0.65 1.18 -0.35 0.10 0.00 0.00 175.35 177.08 1jki n PRO 63 N 1.80 1.46 0.16 1.78 -0.04 -1.26 -4.81 135.00 134.10 1jki n PRO 63 Ca -0.12 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1jki n PRO 63 Cb 0.51 -2.02 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 1jki n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jki h GLU 64 N 3.12 0.00 -4.53 0.54 5.08 -1.96 -3.43 114.58 113.40 1jki h GLU 64 Ca -0.43 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.46 1jki h GLU 64 Cb 1.32 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.25 1jki h GLU 64 CO 0.68 0.00 -0.80 0.15 -1.00 0.00 0.00 179.01 178.04 1jki s LYS 65 N -3.15 1.32 -0.09 2.33 -0.14 -1.26 -4.86 119.74 113.89 1jki s LYS 65 Ca 0.09 -0.34 0.04 0.00 -1.36 0.00 0.00 55.97 54.40 1jki s LYS 65 Cb 0.09 -1.16 0.00 0.00 -1.68 0.00 0.00 37.83 35.09 1jki s LYS 65 CO 0.63 0.05 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.89 1jki s LEU 66 N 0.51 1.99 0.01 3.17 2.96 -0.85 -4.70 118.68 121.77 1jki s LEU 66 Ca -0.10 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.12 1jki s LEU 66 Cb -0.13 -1.26 -0.06 0.00 0.50 0.00 0.00 46.19 45.24 1jki s LEU 66 CO 0.02 0.14 0.58 -0.83 -1.32 0.00 0.00 176.35 174.94 1jki s GLY 67 N 0.34 2.61 -0.19 7.98 0.00 0.13 -1.43 107.32 116.77 1jki s GLY 67 Ca -0.16 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1jki s GLY 67 CO 0.07 0.68 -0.17 -0.42 0.00 0.00 0.00 173.10 173.26 1jki s ILE 68 N -0.36 1.97 -0.32 0.90 -1.09 -0.68 0.23 121.20 121.86 1jki s ILE 68 Ca 0.30 -0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1jki s ILE 68 Cb -0.18 -1.85 0.03 0.00 -1.58 0.00 0.00 42.46 38.88 1jki s ILE 68 CO 0.17 0.43 0.07 -0.04 -1.23 0.00 0.00 174.94 174.34 1jki s MET 69 N 1.30 2.71 -0.31 2.79 -1.94 0.30 -1.95 119.30 122.19 1jki s MET 69 Ca 0.03 -1.11 -0.23 0.00 -1.71 0.00 0.00 55.69 52.67 1jki s MET 69 Cb -0.14 -3.36 -0.00 0.00 2.01 0.00 0.00 34.83 33.33 1jki s MET 69 CO -0.11 -0.59 0.75 -0.51 -0.01 0.00 0.00 175.02 174.55 1jki s LEU 70 N 1.40 4.11 -0.19 -0.03 1.02 -0.84 -1.84 118.68 122.31 1jki s LEU 70 Ca -0.01 0.57 -0.29 0.00 0.02 0.00 0.00 54.13 54.42 1jki s LEU 70 Cb -0.19 -3.01 -0.00 0.00 0.02 0.00 0.00 46.19 43.01 1jki s LEU 70 CO 0.02 -0.60 1.11 -0.63 0.02 0.00 0.00 176.35 176.27 1jki s ILE 71 N 2.90 4.55 0.00 -0.59 1.01 -0.45 -1.28 121.20 127.33 1jki s ILE 71 Ca 0.31 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.82 1jki s ILE 71 Cb -0.14 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1jki s ILE 71 CO 0.13 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1jki n GLY 72 N 3.38 1.79 0.34 6.18 0.00 0.42 -0.35 105.19 116.96 1jki n GLY 72 Ca 0.12 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1jki n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jki h LEU 73 N 0.00 0.40 -0.22 0.99 6.46 -0.56 -2.26 115.31 120.12 1jki h LEU 73 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1jki h LEU 73 Cb 0.10 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1jki h LEU 73 CO 0.00 0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.68 1jki n GLY 74 N -1.51 -0.30 0.00 3.75 0.00 -1.26 -3.42 105.19 102.46 1jki n GLY 74 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1jki n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jki n GLY 75 N 0.17 2.91 0.14 -0.02 0.00 -0.85 -4.73 105.19 102.80 1jki n GLY 75 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 1jki n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jki h ASN 76 N 0.00 0.37 0.49 1.61 4.21 -1.90 -0.71 115.58 119.65 1jki h ASN 76 Ca 0.00 -0.37 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 1jki h ASN 76 Cb 0.00 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1jki h ASN 76 CO 0.00 0.66 -0.23 0.78 -1.29 0.00 0.00 177.43 177.35 1jki h ASN 77 N 0.08 -0.55 -0.73 5.81 2.35 -1.91 -1.02 115.58 119.61 1jki h ASN 77 Ca 0.05 -0.07 0.15 0.00 -0.55 0.00 0.00 56.30 55.88 1jki h ASN 77 Cb 0.50 0.14 -0.13 0.00 0.05 0.00 0.00 38.32 38.88 1jki h ASN 77 CO 0.02 -0.17 -0.11 1.23 -1.65 0.00 0.00 177.43 176.75 1jki h GLY 78 N -1.02 0.64 1.32 2.83 0.00 -1.72 0.97 103.07 106.09 1jki h GLY 78 Ca -0.07 0.19 -0.20 0.00 0.00 0.00 0.00 47.33 47.25 1jki h GLY 78 CO 0.11 -0.28 -0.69 1.48 0.00 0.00 0.00 176.54 177.16 1jki h SER 79 N 0.04 0.79 1.59 0.19 4.64 -1.12 -2.29 113.55 117.38 1jki h SER 79 Ca 0.37 -0.49 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1jki h SER 79 Cb 0.60 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1jki h SER 79 CO -0.71 1.26 -0.37 0.00 -0.87 0.00 0.00 176.83 176.13 1jki h THR 80 N 0.48 0.65 0.19 2.95 1.03 -0.48 -0.44 112.91 117.29 1jki h THR 80 Ca -0.03 -1.89 0.00 0.00 -0.01 0.00 0.00 66.41 64.49 1jki h THR 80 Cb 1.29 2.30 -0.02 0.00 -1.07 0.00 0.00 68.15 70.64 1jki h THR 80 CO 0.14 0.37 -0.35 0.25 -0.01 0.00 0.00 175.52 175.91 1jki h LEU 81 N 0.00 -1.02 -0.91 0.00 5.85 -0.45 0.28 115.31 119.06 1jki h LEU 81 Ca -0.00 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1jki h LEU 81 Cb 1.27 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 1jki h LEU 81 CO 0.05 -0.41 0.54 0.58 -0.34 0.00 0.00 178.44 178.86 1jki h VAL 82 N -0.58 0.87 -0.43 1.05 2.07 -1.47 0.61 116.25 118.38 1jki h VAL 82 Ca -0.02 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1jki h VAL 82 Cb 0.54 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1jki h VAL 82 CO -0.13 0.15 -0.12 0.00 0.02 0.00 0.00 177.57 177.49 1jki h ALA 83 N 1.52 0.99 -0.04 1.67 0.00 -0.67 -1.28 119.26 121.44 1jki h ALA 83 Ca 0.46 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1jki h ALA 83 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jki h ALA 83 CO -0.28 0.60 -0.82 0.66 0.00 0.00 0.00 179.25 179.41 1jki h SER 84 N 0.70 0.46 0.05 0.00 4.64 0.99 0.92 113.55 121.32 1jki h SER 84 Ca 0.12 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1jki h SER 84 Cb 0.60 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1jki h SER 84 CO 0.04 1.10 -0.13 0.58 -0.87 0.00 0.00 176.83 177.55 1jki h VAL 85 N 0.24 0.69 -0.66 0.95 2.07 -0.75 -0.82 116.25 117.97 1jki h VAL 85 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jki h VAL 85 Cb 1.42 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1jki h VAL 85 CO 0.14 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 1jki h LEU 86 N -0.25 0.77 -0.56 2.57 3.38 -1.32 0.75 115.31 120.66 1jki h LEU 86 Ca 0.03 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1jki h LEU 86 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jki h LEU 86 CO -0.09 0.59 -0.53 0.00 0.09 0.00 0.00 178.44 178.50 1jki h ALA 87 N 1.22 0.74 -0.01 1.53 0.00 -0.60 -1.72 119.26 120.41 1jki h ALA 87 Ca 0.24 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1jki h ALA 87 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jki h ALA 87 CO -0.05 0.68 -0.02 -0.91 0.00 0.00 0.00 179.25 178.95 1jki h ASN 88 N 0.40 0.04 -0.72 0.00 2.35 -0.72 0.43 115.58 117.36 1jki h ASN 88 Ca 0.01 -0.60 0.16 0.00 -0.55 0.00 0.00 56.30 55.32 1jki h ASN 88 Cb 1.06 -0.01 -0.12 0.00 0.05 0.00 0.00 38.32 39.31 1jki h ASN 88 CO 0.10 0.63 0.08 0.50 -1.65 0.00 0.00 177.43 177.09 1jki h LYS 89 N -0.55 0.17 -0.83 0.81 3.64 -0.86 -1.75 116.57 117.19 1jki h LYS 89 Ca -0.00 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.14 1jki h LYS 89 Cb 0.63 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.27 1jki h LYS 89 CO 0.01 0.11 0.30 0.72 -2.27 0.00 0.00 179.45 178.31 1jki n HIS 90 N -5.25 2.21 -3.99 1.91 8.25 -0.65 -4.93 115.22 112.77 1jki n HIS 90 Ca 0.13 -1.16 -0.26 0.00 -0.26 0.00 0.00 57.72 56.17 1jki n HIS 90 Cb 0.45 -0.66 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 1jki n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jki n ASN 91 N -0.23 0.57 -4.54 0.41 5.03 -0.66 -4.85 115.26 111.00 1jki n ASN 91 Ca 0.38 -1.05 -0.42 0.00 0.87 0.00 0.00 54.58 54.36 1jki n ASN 91 Cb 1.29 -1.31 -0.02 0.00 -1.02 0.00 0.00 39.78 38.73 1jki n ASN 91 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1jki s VAL 92 N -4.02 4.23 1.03 2.41 -7.23 0.12 -4.95 120.40 111.99 1jki s VAL 92 Ca 0.06 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1jki s VAL 92 Cb -0.04 -5.03 0.19 0.00 0.56 0.00 0.00 36.38 32.07 1jki s VAL 92 CO 0.82 -1.85 1.00 -1.84 -0.31 0.00 0.00 175.10 172.92 1jki n GLU 93 N 8.02 -1.24 -3.52 4.82 0.28 -1.26 -4.52 120.64 123.22 1jki n GLU 93 Ca 0.36 -0.31 -0.17 0.00 -0.16 0.00 0.00 57.16 56.87 1jki n GLU 93 Cb 0.49 -2.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.06 1jki n GLU 93 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1jki s PHE 94 N -2.52 -0.63 0.22 -1.84 -0.12 -0.33 -4.96 117.98 107.81 1jki s PHE 94 Ca 0.66 1.01 -0.30 0.00 -0.05 0.00 0.00 56.93 58.26 1jki s PHE 94 Cb -0.23 0.41 -0.09 0.00 -0.63 0.00 0.00 43.02 42.48 1jki s PHE 94 CO 0.62 -0.62 0.98 -0.65 -0.05 0.00 0.00 175.22 175.49 1jki s GLN 95 N -1.45 4.79 0.31 1.99 -1.52 -1.26 0.14 119.66 122.65 1jki s GLN 95 Ca -0.10 1.54 -0.10 0.00 -1.95 0.00 0.00 55.36 54.76 1jki s GLN 95 Cb -0.00 -3.28 0.01 0.00 -0.22 0.00 0.00 33.01 29.52 1jki s GLN 95 CO 0.07 0.40 0.54 0.95 -0.25 0.00 0.00 175.29 177.01 1jki s THR 96 N -0.95 0.00 0.45 -0.19 -4.23 -1.08 -4.64 115.64 105.00 1jki s THR 96 Ca 0.43 -1.39 0.21 0.00 -1.18 0.00 0.00 61.69 59.76 1jki s THR 96 Cb -0.27 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.50 1jki s THR 96 CO 0.33 0.00 1.86 0.11 -0.54 0.00 0.00 174.62 176.38 1jki h LYS 97 N 2.15 0.29 -0.32 3.99 1.57 -2.03 0.15 116.57 122.37 1jki h LYS 97 Ca -0.28 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1jki h LYS 97 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1jki h LYS 97 CO 0.37 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 179.83 1jki n GLU 98 N -4.46 2.09 0.00 3.15 4.71 -1.26 -5.06 120.64 119.81 1jki n GLU 98 Ca 0.19 -1.66 0.00 0.00 -0.01 0.00 0.00 57.16 55.68 1jki n GLU 98 Cb 0.76 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1jki n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jki n GLY 99 N 1.29 1.57 3.76 0.62 0.00 0.53 -5.00 105.19 107.95 1jki n GLY 99 Ca 0.17 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1jki n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jki s VAL 100 N -1.47 3.12 -0.05 1.61 1.01 -1.26 -2.62 120.40 120.73 1jki s VAL 100 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1jki s VAL 100 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1jki s VAL 100 CO 0.00 0.23 -0.20 -0.54 0.00 0.00 0.00 175.10 174.58 1jki s LYS 101 N -1.21 2.48 -0.06 2.72 -0.14 0.37 -4.91 119.74 118.98 1jki s LYS 101 Ca 0.49 -0.82 -0.19 0.00 -1.36 0.00 0.00 55.97 54.10 1jki s LYS 101 Cb -0.36 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 33.49 1jki s LYS 101 CO 0.45 0.51 0.52 -0.65 -0.76 0.00 0.00 175.35 175.41 1jki s GLN 102 N -0.45 4.28 0.94 1.68 -1.52 -1.26 -1.19 119.66 122.13 1jki s GLN 102 Ca 0.05 0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 53.91 1jki s GLN 102 Cb -0.12 -3.38 0.16 0.00 -0.22 0.00 0.00 33.01 29.45 1jki s GLN 102 CO 0.01 0.29 1.11 -1.25 -0.25 0.00 0.00 175.29 175.21 1jki s PRO 103 N 0.14 0.87 0.21 2.91 0.04 -1.26 -5.02 135.00 132.90 1jki s PRO 103 Ca 0.28 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 1jki s PRO 103 Cb -0.16 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.70 1jki s PRO 103 CO 0.13 -2.65 0.78 0.27 0.04 0.00 0.00 177.00 175.57 1jki n ASN 104 N -4.22 -1.60 -0.12 6.66 0.23 -1.26 -4.98 115.26 109.98 1jki n ASN 104 Ca 0.09 -1.95 0.10 0.00 -0.53 0.00 0.00 54.58 52.29 1jki n ASN 104 Cb 0.53 2.63 0.15 0.00 -2.08 0.00 0.00 39.78 41.00 1jki n ASN 104 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jki n TYR 105 N -0.54 0.05 -0.56 -2.53 4.02 -1.26 -4.92 117.16 111.42 1jki n TYR 105 Ca -0.04 -0.99 -0.21 0.00 -0.01 0.00 0.00 57.90 56.65 1jki n TYR 105 Cb 0.48 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 1jki n TYR 105 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jki n PHE 106 N -1.38 0.14 -0.07 -0.72 3.01 -1.26 -1.05 117.46 116.13 1jki n PHE 106 Ca 0.16 0.39 0.00 0.00 1.01 0.00 0.00 57.45 59.02 1jki n PHE 106 Cb 0.65 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1jki n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jki n GLY 107 N 0.61 0.67 3.67 1.37 0.00 -1.26 -4.86 105.19 105.39 1jki n GLY 107 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1jki n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jki s SER 108 N -2.63 6.12 0.09 1.61 0.15 -0.22 -4.49 113.70 114.32 1jki s SER 108 Ca 0.00 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.61 1jki s SER 108 Cb 0.00 -2.10 -0.08 0.00 -1.71 0.00 0.00 66.02 62.13 1jki s SER 108 CO 0.00 0.09 1.49 -0.03 1.20 0.00 0.00 173.24 175.99 1jki h MET 109 N 7.32 0.51 -0.80 5.44 4.05 -1.90 -0.82 114.93 128.73 1jki h MET 109 Ca -0.39 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1jki h MET 109 Cb 1.17 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.89 1jki h MET 109 CO 0.68 0.71 0.48 1.79 0.23 0.00 0.00 176.91 180.81 1jki h THR 110 N 0.27 1.22 0.00 -0.77 1.35 -1.91 -2.47 112.91 110.60 1jki h THR 110 Ca 0.07 -0.48 -0.09 0.00 -0.55 0.00 0.00 66.41 65.36 1jki h THR 110 Cb 0.51 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 1jki h THR 110 CO 0.02 0.23 -1.77 0.00 -0.25 0.00 0.00 175.52 173.76 1jki n GLN 111 N -4.38 0.65 0.00 4.72 1.13 -1.23 -3.84 117.38 114.42 1jki n GLN 111 Ca 0.09 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1jki n GLN 111 Cb 0.06 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 28.78 1jki n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jki s SER 113 N -0.08 6.34 0.43 0.00 1.04 -0.93 -4.98 113.70 115.51 1jki s SER 113 Ca 0.00 0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.67 1jki s SER 113 Cb 0.00 -1.91 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 1jki s SER 113 CO 0.00 0.02 0.39 0.42 0.98 0.00 0.00 173.24 175.05 1jki s THR 114 N -1.80 2.59 0.00 2.02 -4.23 -1.26 -1.52 115.64 111.45 1jki s THR 114 Ca 0.35 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1jki s THR 114 Cb -0.11 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1jki s THR 114 CO 0.29 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.55 1jki s LEU 115 N -4.15 2.06 -0.07 4.79 1.43 0.54 -4.71 118.68 118.56 1jki s LEU 115 Ca 0.48 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 1jki s LEU 115 Cb -0.03 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.92 1jki s LEU 115 CO 0.28 0.01 1.24 -0.75 0.23 0.00 0.00 176.35 177.36 1jki s LYS 116 N -0.39 4.31 -0.15 1.70 2.20 -1.26 0.02 119.74 126.17 1jki s LYS 116 Ca -0.00 1.71 0.10 0.00 -0.36 0.00 0.00 55.97 57.42 1jki s LYS 116 Cb -0.03 -3.61 -0.23 0.00 -1.51 0.00 0.00 37.83 32.44 1jki s LYS 116 CO -0.00 -0.53 0.24 1.28 -0.36 0.00 0.00 175.35 175.98 1jki n LEU 117 N 5.57 1.11 0.00 5.43 4.77 -0.09 -4.93 117.00 128.87 1jki n LEU 117 Ca 0.12 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1jki n LEU 117 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1jki n LEU 117 CO 0.56 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1jki n GLY 118 N 1.81 -0.61 3.50 -0.72 0.00 -1.24 -5.04 105.19 102.89 1jki n GLY 118 Ca -0.30 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1jki n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jki s ILE 119 N -3.82 2.76 0.00 -0.61 -4.36 -1.26 -0.40 121.20 113.51 1jki s ILE 119 Ca 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1jki s ILE 119 Cb 0.00 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.33 1jki s ILE 119 CO 0.00 -0.19 0.00 -0.90 0.24 0.00 0.00 174.94 174.09 1jki n ASP 120 N -0.08 0.00 -1.91 4.36 3.85 -0.87 -4.90 116.55 116.99 1jki n ASP 120 Ca -0.10 0.00 -0.18 0.00 -0.71 0.00 0.00 54.79 53.80 1jki n ASP 120 Cb 0.57 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.47 1jki n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jki n ALA 121 N -3.00 4.82 0.00 2.12 0.00 -1.26 -3.42 120.51 119.77 1jki n ALA 121 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1jki n ALA 121 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1jki n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jki n GLU 122 N -0.71 3.13 0.00 0.00 -0.58 -1.26 -4.99 120.64 116.24 1jki n GLU 122 Ca 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1jki n GLU 122 Cb 1.35 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 31.60 1jki n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jki n GLY 123 N 1.25 0.86 3.77 0.62 0.00 -1.22 -5.10 105.19 105.37 1jki n GLY 123 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jki n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jki s ASN 124 N -1.43 6.87 0.31 1.61 0.01 -1.26 -4.80 114.94 116.24 1jki s ASN 124 Ca 0.00 2.11 -0.29 0.00 -0.71 0.00 0.00 52.86 53.96 1jki s ASN 124 Cb 0.00 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.95 1jki s ASN 124 CO 0.00 -0.42 1.52 -1.81 -1.51 0.00 0.00 177.10 174.89 1jki s ASP 125 N -1.38 6.44 -0.23 -1.22 1.01 -1.26 -2.05 116.67 117.99 1jki s ASP 125 Ca 0.54 2.90 0.01 0.00 0.71 0.00 0.00 52.55 56.72 1jki s ASP 125 Cb -0.25 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.07 1jki s ASP 125 CO 0.31 -0.84 -0.12 -0.69 0.21 0.00 0.00 175.17 174.04 1jki s VAL 126 N -0.32 2.39 0.17 -1.27 1.01 0.46 -4.86 120.40 117.98 1jki s VAL 126 Ca 0.59 -1.18 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1jki s VAL 126 Cb -0.46 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1jki s VAL 126 CO 0.51 0.25 0.15 -0.31 0.00 0.00 0.00 175.10 175.69 1jki s TYR 127 N 1.25 3.16 0.07 5.22 1.51 -1.26 -0.91 117.35 126.38 1jki s TYR 127 Ca -0.01 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1jki s TYR 127 Cb -0.16 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1jki s TYR 127 CO -0.08 0.52 -0.05 0.00 -1.11 0.00 0.00 175.55 174.83 1jki s ALA 128 N -1.78 0.71 0.26 3.71 0.00 0.10 -4.89 121.76 119.87 1jki s ALA 128 Ca 0.31 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1jki s ALA 128 Cb -0.10 0.17 -0.14 0.00 0.00 0.00 0.00 23.12 23.05 1jki s ALA 128 CO 0.24 -0.24 1.10 -2.30 0.00 0.00 0.00 175.76 174.56 1jki n PRO 129 N 0.36 1.40 0.28 0.00 -0.02 -1.26 -0.34 135.00 135.42 1jki n PRO 129 Ca -0.15 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1jki n PRO 129 Cb 0.59 -1.94 0.79 0.00 -0.02 0.00 0.00 33.50 32.93 1jki n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jki h PHE 130 N 2.60 0.00 -0.59 6.00 3.57 -1.52 -1.75 116.94 125.25 1jki h PHE 130 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1jki h PHE 130 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1jki h PHE 130 CO 0.50 0.07 0.00 0.27 -2.23 0.00 0.00 178.31 176.93 1jki n ASN 131 N -3.77 3.72 -1.76 0.41 6.94 -1.25 -4.45 115.26 115.10 1jki n ASN 131 Ca -0.02 -1.99 0.07 0.00 -0.02 0.00 0.00 54.58 52.62 1jki n ASN 131 Cb 0.17 -0.39 0.38 0.00 -2.36 0.00 0.00 39.78 37.58 1jki n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jki n SER 132 N 1.53 5.29 -0.09 0.53 3.41 -0.66 -4.38 113.62 119.26 1jki n SER 132 Ca 0.22 -2.77 -0.12 0.00 -0.26 0.00 0.00 58.87 55.95 1jki n SER 132 Cb 0.60 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1jki n SER 132 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jki n LEU 133 N 0.73 2.41 -3.83 1.04 4.32 -1.26 -2.33 117.00 118.08 1jki n LEU 133 Ca 0.26 -0.08 -0.14 0.00 -0.02 0.00 0.00 56.01 56.03 1jki n LEU 133 Cb 1.08 -0.45 -0.15 0.00 -1.62 0.00 0.00 43.42 42.28 1jki n LEU 133 CO 0.29 0.72 -0.36 -0.76 -1.22 0.00 0.00 177.39 176.07 1jki s LEU 134 N -5.88 1.54 0.15 2.23 1.43 -1.26 -4.73 118.68 112.15 1jki s LEU 134 Ca -0.21 0.01 -0.34 0.00 -1.03 0.00 0.00 54.13 52.55 1jki s LEU 134 Cb 0.06 -0.07 -0.16 0.00 0.03 0.00 0.00 46.19 46.05 1jki s LEU 134 CO 0.46 -0.06 1.23 -0.81 0.23 0.00 0.00 176.35 177.40 1jki n PRO 135 N 3.63 1.23 -4.19 1.29 -0.04 -1.26 -4.96 135.00 130.70 1jki n PRO 135 Ca -0.20 0.44 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 1jki n PRO 135 Cb 0.55 -1.99 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 1jki n PRO 135 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1jki s MET 136 N -0.11 0.88 0.16 0.54 -1.94 -1.26 -4.97 119.30 112.60 1jki s MET 136 Ca 0.76 -1.12 -0.31 0.00 -1.71 0.00 0.00 55.69 53.31 1jki s MET 136 Cb -0.87 -0.70 -0.09 0.00 2.01 0.00 0.00 34.83 35.18 1jki s MET 136 CO 0.50 0.13 1.43 0.08 -0.01 0.00 0.00 175.02 177.16 1jki s VAL 137 N -2.04 3.01 0.24 -6.03 1.01 -1.26 -5.01 120.40 110.32 1jki s VAL 137 Ca 0.04 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1jki s VAL 137 Cb -0.05 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1jki s VAL 137 CO 0.01 0.08 1.16 -0.55 0.00 0.00 0.00 175.10 175.80 1jki s SER 138 N 0.89 7.14 0.49 3.32 0.15 -1.26 -4.83 113.70 119.60 1jki s SER 138 Ca 0.64 2.29 0.33 0.00 0.70 0.00 0.00 55.95 59.91 1jki s SER 138 Cb -0.39 -2.62 1.55 0.00 -1.71 0.00 0.00 66.02 62.85 1jki s SER 138 CO 0.34 -0.28 1.99 1.55 1.20 0.00 0.00 173.24 178.03 1jki h PRO 139 N 4.45 0.00 0.00 5.44 0.13 -1.98 -1.58 132.00 138.45 1jki h PRO 139 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jki h PRO 139 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jki h PRO 139 CO 0.70 0.00 0.29 -0.91 -0.23 0.00 0.00 178.00 177.85 1jki h ASN 140 N 0.00 0.00 -0.26 1.44 -0.26 -1.92 -0.62 115.58 113.96 1jki h ASN 140 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1jki h ASN 140 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1jki h ASN 140 CO 0.00 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 1jki n ASP 141 N -2.50 3.47 -4.84 5.81 10.43 -0.59 -4.85 116.55 123.48 1jki n ASP 141 Ca -0.02 -2.72 -0.31 0.00 2.57 0.00 0.00 54.79 54.32 1jki n ASP 141 Cb 0.32 -0.44 0.05 0.00 1.84 0.00 0.00 41.12 42.90 1jki n ASP 141 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1jki s PHE 142 N -2.28 3.20 -0.17 1.24 2.99 -0.24 -2.00 117.98 120.71 1jki s PHE 142 Ca 0.35 1.27 -0.01 0.00 0.00 0.00 0.00 56.93 58.54 1jki s PHE 142 Cb 0.27 -2.93 0.05 0.00 0.00 0.00 0.00 43.02 40.40 1jki s PHE 142 CO 0.10 -1.23 -0.03 0.08 -0.00 0.00 0.00 175.22 174.14 1jki s VAL 143 N -3.15 0.95 -0.08 -0.44 1.01 -0.51 -4.86 120.40 113.31 1jki s VAL 143 Ca 0.58 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1jki s VAL 143 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1jki s VAL 143 CO 0.54 0.03 -0.20 0.54 0.00 0.00 0.00 175.10 176.00 1jki s VAL 144 N 1.69 2.45 0.00 2.92 0.11 -1.26 -1.68 120.40 124.63 1jki s VAL 144 Ca -0.00 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1jki s VAL 144 Cb -0.16 -1.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1jki s VAL 144 CO -0.07 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.02 1jki n SER 145 N 3.06 0.72 0.00 3.54 2.88 -0.82 -5.02 113.62 117.98 1jki n SER 145 Ca -0.18 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 1jki n SER 145 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1jki n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jki n GLY 146 N 1.81 0.03 3.47 0.46 0.00 -1.26 -1.99 105.19 107.71 1jki n GLY 146 Ca 0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1jki n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jki s TRP 147 N -2.14 2.15 -0.29 1.61 0.51 -0.41 -0.57 118.94 119.80 1jki s TRP 147 Ca 0.00 -0.56 -0.18 0.00 -2.12 0.00 0.00 56.10 53.24 1jki s TRP 147 Cb 0.00 -1.17 0.14 0.00 -0.81 0.00 0.00 33.47 31.63 1jki s TRP 147 CO 0.00 0.46 1.00 0.34 -0.51 0.00 0.00 176.95 178.25 1jki s ASP 148 N -3.51 -0.48 0.00 2.95 3.68 -0.64 -0.37 116.67 118.30 1jki s ASP 148 Ca 0.30 0.79 0.05 0.00 2.13 0.00 0.00 52.55 55.82 1jki s ASP 148 Cb 0.02 1.11 0.22 0.00 -1.45 0.00 0.00 42.92 42.81 1jki s ASP 148 CO 0.14 -0.13 1.12 2.30 0.13 0.00 0.00 175.17 178.73 1jki n ILE 149 N 3.34 1.51 -4.76 4.11 -5.35 -1.26 -3.90 119.36 113.04 1jki n ILE 149 Ca -0.17 0.38 -0.33 0.00 -0.27 0.00 0.00 62.75 62.36 1jki n ILE 149 Cb 0.57 -1.29 -0.16 0.00 -1.74 0.00 0.00 39.64 37.02 1jki n ILE 149 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jki s ASN 150 N -2.90 3.47 0.00 7.28 3.84 -1.25 -0.26 114.94 125.11 1jki s ASN 150 Ca 0.03 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 52.76 1jki s ASN 150 Cb 0.03 -1.51 0.91 0.00 -0.55 0.00 0.00 41.25 40.13 1jki s ASN 150 CO 0.09 0.11 1.43 -0.46 -2.79 0.00 0.00 177.10 175.48 1jki n ASN 151 N 3.85 0.00 -4.63 -4.21 2.04 -1.26 -4.78 115.26 106.27 1jki n ASN 151 Ca -0.19 -1.08 -0.34 0.00 -0.44 0.00 0.00 54.58 52.54 1jki n ASN 151 Cb 0.52 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.89 1jki n ASN 151 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jki n ALA 152 N -0.81 -0.60 -1.96 -2.53 0.00 -1.26 -4.68 120.51 108.67 1jki n ALA 152 Ca 0.11 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 1jki n ALA 152 Cb 0.05 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.42 1jki n ALA 152 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jki s ASP 153 N -2.06 5.11 0.04 0.00 -4.77 -1.26 -4.28 116.67 109.44 1jki s ASP 153 Ca 0.70 0.71 0.21 0.00 -3.30 0.00 0.00 52.55 50.87 1jki s ASP 153 Cb -0.28 -1.46 0.89 0.00 -1.09 0.00 0.00 42.92 40.97 1jki s ASP 153 CO 0.54 -1.44 1.68 0.18 0.70 0.00 0.00 175.17 176.83 1jki n LEU 154 N -2.90 0.11 0.02 2.11 4.32 -0.40 -0.59 117.00 119.67 1jki n LEU 154 Ca 0.07 0.52 -0.19 0.00 -0.02 0.00 0.00 56.01 56.39 1jki n LEU 154 Cb 0.59 -0.49 -0.10 0.00 -1.62 0.00 0.00 43.42 41.79 1jki n LEU 154 CO 0.54 -0.18 0.15 0.22 -1.22 0.00 0.00 177.39 176.90 1jki h TYR 155 N 0.00 0.92 -0.35 -1.77 3.20 -1.81 -1.69 116.97 115.48 1jki h TYR 155 Ca 0.00 -0.49 -0.15 0.00 3.14 0.00 0.00 58.73 61.23 1jki h TYR 155 Cb 0.38 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1jki h TYR 155 CO 0.00 1.32 -0.39 0.93 -1.64 0.00 0.00 178.16 178.38 1jki h GLU 156 N 0.27 0.85 -0.17 1.82 5.08 -1.66 -1.88 114.58 118.88 1jki h GLU 156 Ca -0.10 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 1jki h GLU 156 Cb 1.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1jki h GLU 156 CO 0.17 1.09 -0.28 0.00 -1.00 0.00 0.00 179.01 178.99 1jki h ALA 157 N 0.85 1.21 -0.12 3.43 0.00 -0.88 0.58 119.26 124.33 1jki h ALA 157 Ca 0.06 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1jki h ALA 157 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jki h ALA 157 CO 0.09 0.52 -0.65 0.52 0.00 0.00 0.00 179.25 179.73 1jki h MET 158 N 0.29 0.46 0.48 0.00 2.86 -0.59 -2.91 114.93 115.52 1jki h MET 158 Ca 0.04 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1jki h MET 158 Cb 0.65 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1jki h MET 158 CO 0.05 0.96 -0.25 1.96 1.06 0.00 0.00 176.91 180.69 1jki h GLN 159 N 0.33 -0.64 0.00 1.72 4.20 -0.90 -1.70 115.11 118.13 1jki h GLN 159 Ca -0.01 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jki h GLN 159 Cb 1.21 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1jki h GLN 159 CO 0.12 -0.43 0.00 -2.13 -0.67 0.00 0.00 178.83 175.72 1jki n ARG 160 N -5.38 0.11 -0.02 1.46 0.63 0.15 -2.72 116.66 110.89 1jki n ARG 160 Ca -0.12 0.52 0.08 0.00 -0.92 0.00 0.00 57.85 57.41 1jki n ARG 160 Cb 0.28 -1.81 -0.16 0.00 0.45 0.00 0.00 32.46 31.23 1jki n ARG 160 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1jki n SER 161 N -2.04 0.05 -3.38 6.15 7.64 -0.72 -4.94 113.62 116.39 1jki n SER 161 Ca 0.00 0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 1jki n SER 161 Cb 0.09 1.76 -0.02 0.00 -1.01 0.00 0.00 64.21 65.03 1jki n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jki n GLN 162 N -2.36 -2.78 0.03 1.43 6.02 -0.72 -4.65 117.38 114.35 1jki n GLN 162 Ca -0.08 0.33 -0.17 0.00 -0.01 0.00 0.00 57.00 57.08 1jki n GLN 162 Cb 0.65 -4.98 -0.14 0.00 1.02 0.00 0.00 30.24 26.80 1jki n GLN 162 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1jki h VAL 163 N -0.74 0.92 -2.86 5.09 -1.51 -1.90 -3.45 116.25 111.82 1jki h VAL 163 Ca -0.38 -2.62 -0.57 0.00 -1.23 0.00 0.00 66.70 61.90 1jki h VAL 163 Cb 1.25 2.62 -0.03 0.00 -2.13 0.00 0.00 31.29 33.00 1jki h VAL 163 CO 0.50 0.78 -0.41 -0.76 -1.23 0.00 0.00 177.57 176.45 1jki s LEU 164 N -6.84 4.30 0.44 4.19 2.01 -1.26 -5.04 118.68 116.47 1jki s LEU 164 Ca -0.12 0.34 -0.21 0.00 0.01 0.00 0.00 54.13 54.15 1jki s LEU 164 Cb 0.07 -3.07 -0.14 0.00 0.01 0.00 0.00 46.19 43.06 1jki s LEU 164 CO 0.82 0.06 0.28 -0.62 1.01 0.00 0.00 176.35 177.91 1jki n GLU 165 N -0.21 0.26 -0.10 1.70 -0.58 -1.26 -4.70 120.64 115.74 1jki n GLU 165 Ca -0.05 0.10 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 1jki n GLU 165 Cb 0.53 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 1jki n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1jki h TYR 166 N 0.46 0.52 0.00 -0.32 3.20 -1.96 0.71 116.97 119.58 1jki h TYR 166 Ca -0.39 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1jki h TYR 166 Cb 1.42 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1jki h TYR 166 CO 0.31 0.57 0.00 -3.47 -1.64 0.00 0.00 178.16 173.93 1jki n ASP 167 N -4.64 0.11 -0.10 -2.11 4.64 -1.26 -1.70 116.55 111.48 1jki n ASP 167 Ca -0.02 0.52 -0.11 0.00 -1.38 0.00 0.00 54.79 53.79 1jki n ASP 167 Cb 0.21 -0.55 -0.15 0.00 -1.04 0.00 0.00 41.12 39.59 1jki n ASP 167 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1jki n LEU 168 N -1.61 0.55 -0.23 -2.67 -0.00 -0.77 -2.80 117.00 109.46 1jki n LEU 168 Ca 0.04 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.01 55.97 1jki n LEU 168 Cb 0.21 0.24 0.05 0.00 -0.00 0.00 0.00 43.42 43.92 1jki n LEU 168 CO 0.17 0.58 1.14 1.56 -0.00 0.00 0.00 177.39 180.84 1jki h GLN 169 N 0.00 0.87 -0.34 1.96 4.20 0.02 -2.85 115.11 118.97 1jki h GLN 169 Ca -0.55 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1jki h GLN 169 Cb 2.18 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.75 1jki h GLN 169 CO 0.01 0.58 0.22 1.96 -0.67 0.00 0.00 178.83 180.93 1jki h GLN 170 N 0.89 0.45 0.00 1.46 1.08 -1.51 -1.20 115.11 116.28 1jki h GLN 170 Ca 0.24 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1jki h GLN 170 Cb -0.09 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 1jki h GLN 170 CO -0.05 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.15 1jki h ARG 171 N 0.45 0.00 -0.02 1.46 3.08 -1.44 -2.22 114.38 115.69 1jki h ARG 171 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1jki h ARG 171 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1jki h ARG 171 CO -0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 1jki n LEU 172 N -2.91 1.97 -0.10 3.04 4.77 -0.95 -4.70 117.00 118.13 1jki n LEU 172 Ca -0.02 -1.01 -0.06 0.00 -0.03 0.00 0.00 56.01 54.89 1jki n LEU 172 Cb 0.10 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1jki n LEU 172 CO 0.19 0.37 0.91 0.50 -1.33 0.00 0.00 177.39 178.03 1jki h LYS 173 N 2.28 0.19 -0.00 3.23 3.64 -0.58 0.55 116.57 125.88 1jki h LYS 173 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jki h LYS 173 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jki h LYS 173 CO 0.00 0.13 -0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1jki h ALA 174 N 1.25 -0.00 -0.11 5.00 0.00 -1.84 0.28 119.26 123.84 1jki h ALA 174 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1jki h ALA 174 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jki h ALA 174 CO -0.20 -0.50 -0.75 0.87 0.00 0.00 0.00 179.25 178.67 1jki h LYS 175 N -0.01 0.55 -0.01 0.00 1.57 -1.84 -3.26 116.57 113.58 1jki h LYS 175 Ca 0.00 -0.45 -0.17 0.00 -1.87 0.00 0.00 60.65 58.17 1jki h LYS 175 Cb 0.01 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1jki h LYS 175 CO -0.01 1.07 -0.77 0.52 -0.57 0.00 0.00 179.45 179.70 1jki h MET 176 N 0.37 0.09 0.00 3.15 2.86 0.40 -2.59 114.93 119.22 1jki h MET 176 Ca -0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1jki h MET 176 Cb 1.34 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 1jki h MET 176 CO 0.14 0.81 -0.00 0.77 1.06 0.00 0.00 176.91 179.69 1jki h SER 177 N 0.06 0.00 1.33 1.22 0.02 -0.49 -1.86 113.55 113.81 1jki h SER 177 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1jki h SER 177 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1jki h SER 177 CO 0.11 0.00 0.00 -0.07 -1.14 0.00 0.00 176.83 175.73 1jki h LEU 178 N 0.00 0.00 -9.19 5.07 3.38 -1.55 -3.44 115.31 109.59 1jki h LEU 178 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1jki h LEU 178 Cb 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1jki h LEU 178 CO 0.00 0.00 0.13 -0.69 0.09 0.00 0.00 178.44 177.97 1jki s VAL 179 N -3.39 5.02 -0.00 1.22 1.01 -0.71 -5.02 120.40 118.53 1jki s VAL 179 Ca 0.05 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.37 1jki s VAL 179 Cb 0.08 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1jki s VAL 179 CO 0.56 0.15 -0.21 -0.54 0.00 0.00 0.00 175.10 175.05 1jki s LYS 180 N 1.61 1.67 0.35 2.72 1.02 -1.26 -1.28 119.74 124.58 1jki s LYS 180 Ca 0.31 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 55.22 1jki s LYS 180 Cb -0.16 -1.66 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1jki s LYS 180 CO 0.12 0.45 1.13 -2.14 -0.92 0.00 0.00 175.35 173.99 1jki s PRO 181 N -0.66 4.30 0.73 -1.68 0.02 -1.26 -4.88 135.00 131.57 1jki s PRO 181 Ca 0.08 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 1jki s PRO 181 Cb -0.08 -2.85 0.03 0.00 0.02 0.00 0.00 34.50 31.61 1jki s PRO 181 CO -0.00 -0.08 1.08 -0.51 -0.33 0.00 0.00 177.00 177.16 1jki s LEU 182 N -2.11 2.87 0.65 -5.54 1.43 0.26 -4.71 118.68 111.53 1jki s LEU 182 Ca 0.52 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1jki s LEU 182 Cb -0.30 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 1jki s LEU 182 CO 0.38 -1.54 1.05 -2.16 0.23 0.00 0.00 176.35 174.31 1jki s PRO 183 N -5.21 3.23 0.00 1.29 0.04 -1.26 -1.63 135.00 131.47 1jki s PRO 183 Ca 0.59 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1jki s PRO 183 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jki s PRO 183 CO 0.54 -0.86 0.00 0.45 0.04 0.00 0.00 177.00 177.16 1jki n SER 184 N -2.79 1.21 -4.61 6.66 2.88 0.15 -4.66 113.62 112.47 1jki n SER 184 Ca 0.07 -0.76 -0.34 0.00 -1.33 0.00 0.00 58.87 56.51 1jki n SER 184 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1jki n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jki s ILE 185 N -1.00 4.57 -0.33 2.46 1.01 -1.26 -2.07 121.20 124.58 1jki s ILE 185 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1jki s ILE 185 Cb 0.00 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.53 1jki s ILE 185 CO 0.00 0.48 0.07 -0.47 0.00 0.00 0.00 174.94 175.02 1jki s TYR 186 N 0.28 2.99 -0.59 3.97 5.04 -1.26 -4.81 117.35 122.97 1jki s TYR 186 Ca 0.02 -2.53 -0.06 0.00 -2.44 0.00 0.00 57.07 52.06 1jki s TYR 186 Cb -0.13 -2.47 0.15 0.00 0.35 0.00 0.00 41.96 39.87 1jki s TYR 186 CO 0.01 -0.92 0.44 0.71 -1.34 0.00 0.00 175.55 174.45 1jki s TYR 187 N 1.17 3.49 0.35 4.97 4.12 -1.26 -4.85 117.35 125.35 1jki s TYR 187 Ca 0.10 -2.37 0.17 0.00 0.02 0.00 0.00 57.07 54.99 1jki s TYR 187 Cb -0.18 -3.37 1.19 0.00 -1.52 0.00 0.00 41.96 38.08 1jki s TYR 187 CO -0.15 -0.92 1.61 -1.00 0.02 0.00 0.00 175.55 175.12 1jki h PRO 188 N 7.60 0.12 -1.37 -1.71 0.13 -1.95 -0.64 132.00 134.19 1jki h PRO 188 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jki h PRO 188 Cb 1.01 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1jki h PRO 188 CO 0.75 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1jki n ASP 189 N -5.20 3.39 0.00 1.44 8.00 -1.26 -2.35 116.55 120.57 1jki n ASP 189 Ca 0.34 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1jki n ASP 189 Cb 1.12 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1jki n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jki n PHE 190 N 0.85 0.00 -4.43 1.24 3.01 -0.25 -5.01 117.46 112.88 1jki n PHE 190 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1jki n PHE 190 Cb 0.45 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 1jki n PHE 190 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1jki n ILE 191 N -0.81 0.00 -2.14 4.37 -0.00 -0.99 -1.99 119.36 117.80 1jki n ILE 191 Ca 0.00 -1.61 -0.43 0.00 -0.00 0.00 0.00 62.75 60.71 1jki n ILE 191 Cb 0.00 0.27 -0.02 0.00 -0.00 0.00 0.00 39.64 39.88 1jki n ILE 191 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jki s ALA 192 N -2.59 3.01 0.10 -1.28 0.00 -1.26 -4.90 121.76 114.85 1jki s ALA 192 Ca 0.02 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1jki s ALA 192 Cb -0.00 -3.96 0.37 0.00 0.00 0.00 0.00 23.12 19.53 1jki s ALA 192 CO 0.01 -2.41 0.41 0.00 0.00 0.00 0.00 175.76 173.78 1jki n ALA 193 N 9.42 0.30 0.59 0.00 0.00 -1.26 0.12 120.51 129.67 1jki n ALA 193 Ca 0.20 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1jki n ALA 193 Cb 0.47 -0.27 0.31 0.00 0.00 0.00 0.00 19.45 19.95 1jki n ALA 193 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jki n ASN 194 N -3.44 0.00 -0.90 0.00 2.04 -1.26 -1.68 115.26 110.01 1jki n ASN 194 Ca 0.10 0.05 0.11 0.00 -0.44 0.00 0.00 54.58 54.41 1jki n ASN 194 Cb 0.37 -0.25 0.27 0.00 -2.53 0.00 0.00 39.78 37.64 1jki n ASN 194 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jki n GLN 195 N -1.25 2.18 0.00 -3.83 1.13 0.32 -4.61 117.38 111.32 1jki n GLN 195 Ca 0.06 -1.78 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 1jki n GLN 195 Cb 0.09 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1jki n GLN 195 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1jki n ASP 196 N 1.00 0.00 0.00 1.08 -0.08 -0.68 -3.36 116.55 114.51 1jki n ASP 196 Ca 0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1jki n ASP 196 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1jki n ASP 196 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1jki n GLU 197 N 0.00 0.00 0.17 -0.67 -0.00 -1.26 -0.66 120.64 118.22 1jki n GLU 197 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.28 1jki n GLU 197 Cb 0.00 -1.48 0.11 0.00 -0.00 0.00 0.00 31.44 30.06 1jki n GLU 197 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1jki h ARG 198 N 0.00 0.00 -4.99 3.44 2.43 -1.86 -3.42 114.38 109.98 1jki h ARG 198 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 1jki h ARG 198 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1jki h ARG 198 CO 0.00 0.00 2.08 0.00 -1.51 0.00 0.00 179.97 180.54 1jki n ALA 199 N -2.13 3.36 -1.08 2.80 0.00 0.17 -3.93 120.51 119.70 1jki n ALA 199 Ca 0.02 -3.46 0.07 0.00 0.00 0.00 0.00 53.44 50.08 1jki n ALA 199 Cb 0.54 -3.57 0.23 0.00 0.00 0.00 0.00 19.45 16.65 1jki n ALA 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jki n ASN 200 N 9.44 3.35 -3.19 0.00 0.23 0.48 -4.74 115.26 120.83 1jki n ASN 200 Ca 0.49 -3.14 -0.21 0.00 -0.53 0.00 0.00 54.58 51.19 1jki n ASN 200 Cb 0.43 -0.53 -0.05 0.00 -2.08 0.00 0.00 39.78 37.55 1jki n ASN 200 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1jki n ASN 201 N -0.80 0.63 -4.50 0.53 4.05 0.64 -4.69 115.26 111.12 1jki n ASN 201 Ca 0.22 -2.89 -0.31 0.00 0.45 0.00 0.00 54.58 52.04 1jki n ASN 201 Cb 0.86 -0.63 -0.12 0.00 1.23 0.00 0.00 39.78 41.12 1jki n ASN 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jki n ILE 203 N 1.69 0.23 -2.95 0.00 -5.35 -0.88 -4.54 119.36 107.57 1jki n ILE 203 Ca -0.16 -0.49 -0.44 0.00 -0.27 0.00 0.00 62.75 61.39 1jki n ILE 203 Cb 0.52 -0.09 -0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1jki n ILE 203 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jki s ASN 204 N -4.75 7.02 -0.00 7.28 4.22 -1.26 -4.93 114.94 122.52 1jki s ASN 204 Ca -0.04 -2.89 0.06 0.00 -2.14 0.00 0.00 52.86 47.85 1jki s ASN 204 Cb 0.12 -2.40 -0.03 0.00 1.28 0.00 0.00 41.25 40.23 1jki s ASN 204 CO 0.86 -0.78 -0.18 -0.76 -2.04 0.00 0.00 177.10 174.20 1jki s LEU 205 N 1.70 2.57 0.09 3.54 1.43 -1.26 -1.19 118.68 125.56 1jki s LEU 205 Ca 0.41 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1jki s LEU 205 Cb -0.03 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 1jki s LEU 205 CO -0.01 0.30 0.45 1.51 0.23 0.00 0.00 176.35 178.84 1jki s ASP 206 N -1.03 6.73 0.00 2.29 -4.77 0.20 -4.83 116.67 115.26 1jki s ASP 206 Ca 0.13 0.91 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 1jki s ASP 206 Cb -0.10 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.50 1jki s ASP 206 CO 0.02 0.17 0.13 1.21 0.70 0.00 0.00 175.17 177.40 1jki n GLU 207 N 0.98 0.00 0.00 2.11 4.07 -1.26 -0.62 120.64 125.92 1jki n GLU 207 Ca -0.08 -0.05 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1jki n GLU 207 Cb 0.52 -0.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 1jki n GLU 207 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1jki n LYS 208 N 2.50 0.00 0.00 5.31 3.00 -1.26 -5.02 118.16 122.69 1jki n LYS 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jki n LYS 208 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jki n LYS 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jki n GLY 209 N -0.11 0.00 3.76 3.14 0.00 0.21 -5.16 105.19 107.03 1jki n GLY 209 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jki n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jki s ASN 210 N 0.00 7.01 0.15 1.61 -0.87 -1.24 -4.51 114.94 117.08 1jki s ASN 210 Ca 0.00 2.36 -0.31 0.00 -1.57 0.00 0.00 52.86 53.33 1jki s ASN 210 Cb 0.00 -2.63 -0.10 0.00 -0.02 0.00 0.00 41.25 38.50 1jki s ASN 210 CO 0.00 -0.33 1.65 0.68 -2.57 0.00 0.00 177.10 176.53 1jki s VAL 211 N -1.23 2.58 0.48 1.60 -7.23 -1.25 0.59 120.40 115.94 1jki s VAL 211 Ca 0.48 0.32 0.02 0.00 -1.81 0.00 0.00 61.98 60.99 1jki s VAL 211 Cb -0.33 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 1jki s VAL 211 CO 0.42 0.02 0.03 0.28 -0.31 0.00 0.00 175.10 175.54 1jki s THR 212 N 1.70 1.08 0.00 5.32 -1.32 -0.34 -4.84 115.64 117.25 1jki s THR 212 Ca 0.73 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 1jki s THR 212 Cb -0.44 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1jki s THR 212 CO 0.32 0.00 0.21 1.07 -2.21 0.00 0.00 174.62 174.01 1jki n THR 213 N -1.16 0.00 -2.93 5.08 5.66 -1.26 -4.80 114.28 114.87 1jki n THR 213 Ca -0.15 -0.37 -0.33 0.00 -3.05 0.00 0.00 64.05 60.15 1jki n THR 213 Cb 0.67 1.15 -0.07 0.00 -1.55 0.00 0.00 70.33 70.53 1jki n THR 213 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1jki s ARG 214 N -0.32 4.18 0.00 1.09 3.52 -1.26 -4.32 118.95 121.85 1jki s ARG 214 Ca 0.00 0.98 0.00 0.00 -0.13 0.00 0.00 55.73 56.58 1jki s ARG 214 Cb 0.00 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1jki s ARG 214 CO 0.00 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 1jki n GLY 215 N -0.43 0.95 0.28 8.12 0.00 -1.26 -4.97 105.19 107.88 1jki n GLY 215 Ca 0.05 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1jki n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jki h LYS 216 N 0.00 0.34 -0.53 1.61 1.57 -1.75 -0.92 116.57 116.89 1jki h LYS 216 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1jki h LYS 216 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1jki h LYS 216 CO 0.00 0.26 -0.03 2.35 -0.57 0.00 0.00 179.45 181.46 1jki h TRP 217 N 0.34 1.00 0.00 -1.35 2.91 -1.88 0.34 115.95 117.31 1jki h TRP 217 Ca 0.09 -0.17 -0.10 0.00 1.13 0.00 0.00 58.89 59.85 1jki h TRP 217 Cb 0.03 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.41 1jki h TRP 217 CO 0.00 0.91 -0.46 1.79 -1.03 0.00 0.00 178.44 179.65 1jki h THR 218 N 0.84 1.18 -0.06 2.65 1.35 -1.58 0.76 112.91 118.05 1jki h THR 218 Ca 0.15 -1.67 -0.17 0.00 -0.55 0.00 0.00 66.41 64.17 1jki h THR 218 Cb 0.54 1.94 0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1jki h THR 218 CO 0.03 0.45 -0.62 0.45 -0.25 0.00 0.00 175.52 175.58 1jki h HIS 219 N 0.00 0.75 -0.97 4.73 3.86 -1.02 0.32 115.15 122.82 1jki h HIS 219 Ca -0.00 -0.36 0.13 0.00 -1.16 0.00 0.00 60.37 58.97 1jki h HIS 219 Cb 0.90 -0.10 -0.09 0.00 1.06 0.00 0.00 27.41 29.18 1jki h HIS 219 CO 0.00 1.16 0.59 1.25 0.86 0.00 0.00 177.93 181.80 1jki h LEU 220 N 0.12 0.85 -0.68 2.43 7.12 0.56 -1.11 115.31 124.59 1jki h LEU 220 Ca -0.06 0.06 -0.14 0.00 0.13 0.00 0.00 57.88 57.87 1jki h LEU 220 Cb 1.29 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 1jki h LEU 220 CO 0.13 0.43 -0.65 1.56 -0.13 0.00 0.00 178.44 179.78 1jki h GLN 221 N 0.91 0.05 -0.10 1.25 4.20 0.11 -2.38 115.11 119.15 1jki h GLN 221 Ca 0.49 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 59.05 1jki h GLN 221 Cb 0.54 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1jki h GLN 221 CO -0.29 0.68 -0.47 -0.09 -0.67 0.00 0.00 178.83 178.00 1jki h ARG 222 N 0.03 0.25 -0.17 1.46 9.65 0.32 -2.05 114.38 123.86 1jki h ARG 222 Ca -0.01 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 1jki h ARG 222 Cb 1.15 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1jki h ARG 222 CO 0.09 0.67 0.03 0.82 2.80 0.00 0.00 179.97 184.37 1jki h ILE 223 N 0.20 1.22 -0.71 1.20 1.08 -0.85 -1.21 117.51 118.45 1jki h ILE 223 Ca 0.01 -0.73 0.11 0.00 -0.39 0.00 0.00 64.86 63.87 1jki h ILE 223 Cb 0.90 1.37 -0.08 0.00 -3.07 0.00 0.00 36.82 35.94 1jki h ILE 223 CO 0.07 0.22 0.31 0.03 -0.69 0.00 0.00 178.15 178.09 1jki h ARG 224 N 0.08 0.48 -0.47 2.37 3.08 -1.30 0.92 114.38 119.55 1jki h ARG 224 Ca 0.05 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1jki h ARG 224 Cb 0.31 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1jki h ARG 224 CO 0.00 0.32 0.13 -0.09 -1.07 0.00 0.00 179.97 179.26 1jki h ARG 225 N 0.50 0.27 -0.87 0.04 9.65 -1.24 0.88 114.38 123.60 1jki h ARG 225 Ca 0.37 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.22 1jki h ARG 225 Cb 0.48 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 1jki h ARG 225 CO -0.33 0.18 0.48 -0.44 2.80 0.00 0.00 179.97 182.65 1jki h ASP 226 N 0.27 1.08 -0.43 -3.80 3.32 -0.39 0.23 116.42 116.71 1jki h ASP 226 Ca 0.23 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1jki h ASP 226 Cb 0.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1jki h ASP 226 CO -0.27 0.87 -0.16 0.40 -1.72 0.00 0.00 179.24 178.36 1jki h ILE 227 N 1.21 1.28 -0.45 0.35 2.04 0.48 -1.20 117.51 121.21 1jki h ILE 227 Ca 0.31 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1jki h ILE 227 Cb 0.03 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1jki h ILE 227 CO -0.05 0.44 0.23 1.56 0.00 0.00 0.00 178.15 180.33 1jki h GLN 228 N 0.69 0.64 -0.42 2.37 4.20 0.12 0.04 115.11 122.74 1jki h GLN 228 Ca 0.10 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1jki h GLN 228 Cb 0.72 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1jki h GLN 228 CO 0.05 0.53 -0.01 -0.97 -0.67 0.00 0.00 178.83 177.76 1jki h ASN 229 N 0.59 0.66 -0.17 1.46 -1.24 -0.60 0.78 115.58 117.05 1jki h ASN 229 Ca 0.16 -0.15 -0.16 0.00 0.71 0.00 0.00 56.30 56.86 1jki h ASN 229 Cb 0.09 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1jki h ASN 229 CO -0.02 0.74 -0.46 0.15 -1.29 0.00 0.00 177.43 176.54 1jki h PHE 230 N 0.65 0.90 0.29 0.67 3.57 -0.64 0.85 116.94 123.22 1jki h PHE 230 Ca 0.13 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1jki h PHE 230 Cb 0.42 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1jki h PHE 230 CO 0.02 1.06 -0.14 -0.22 -2.23 0.00 0.00 178.31 176.80 1jki h LYS 231 N 0.59 -0.37 -0.02 1.11 3.64 0.29 -2.84 116.57 118.97 1jki h LYS 231 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1jki h LYS 231 Cb 1.02 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1jki h LYS 231 CO 0.10 -0.19 -0.26 1.49 -2.27 0.00 0.00 179.45 178.31 1jki h GLU 232 N -0.46 -0.38 0.00 1.90 4.57 0.70 0.11 114.58 121.02 1jki h GLU 232 Ca -0.04 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1jki h GLU 232 Cb 0.35 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1jki h GLU 232 CO 0.06 -0.25 -0.13 1.49 -1.18 0.00 0.00 179.01 179.01 1jki h GLU 233 N -0.39 0.00 -0.06 1.92 4.81 -0.93 -2.20 114.58 117.72 1jki h GLU 233 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1jki h GLU 233 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1jki h GLU 233 CO -0.25 0.13 0.00 0.09 -0.73 0.00 0.00 179.01 178.25 1jki n ASN 234 N -3.99 2.42 -3.19 1.04 4.13 -1.04 -5.02 115.26 109.60 1jki n ASN 234 Ca -0.02 -1.69 -0.08 0.00 1.68 0.00 0.00 54.58 54.46 1jki n ASN 234 Cb 0.22 -0.03 0.03 0.00 -1.54 0.00 0.00 39.78 38.45 1jki n ASN 234 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jki n ALA 235 N 0.90 -2.51 -2.95 5.41 0.00 0.34 -5.03 120.51 116.67 1jki n ALA 235 Ca 0.10 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1jki n ALA 235 Cb 0.41 -3.27 -0.12 0.00 0.00 0.00 0.00 19.45 16.47 1jki n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jki s LEU 236 N -4.70 2.10 -0.05 0.00 1.43 -0.94 -5.03 118.68 111.48 1jki s LEU 236 Ca 0.20 -0.28 0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1jki s LEU 236 Cb -0.03 0.10 -0.19 0.00 0.03 0.00 0.00 46.19 46.10 1jki s LEU 236 CO 0.76 -0.19 0.22 -0.90 0.23 0.00 0.00 176.35 176.47 1jki n ASP 237 N 2.17 1.87 -4.39 2.29 5.68 -1.26 -4.68 116.55 118.22 1jki n ASP 237 Ca -0.19 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.72 1jki n ASP 237 Cb 0.57 1.36 -0.12 0.00 -1.14 0.00 0.00 41.12 41.78 1jki n ASP 237 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jki s LYS 238 N -2.74 3.25 -0.03 0.11 -0.14 -1.26 -5.06 119.74 113.86 1jki s LYS 238 Ca -0.05 -0.76 0.07 0.00 -1.36 0.00 0.00 55.97 53.87 1jki s LYS 238 Cb 0.07 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1jki s LYS 238 CO 0.55 -0.40 -0.26 0.08 -0.76 0.00 0.00 175.35 174.56 1jki s VAL 239 N 1.56 2.07 -0.06 3.17 1.01 -1.26 0.19 120.40 127.07 1jki s VAL 239 Ca 0.04 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.98 1jki s VAL 239 Cb -0.17 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1jki s VAL 239 CO 0.04 0.58 -0.24 -0.63 0.00 0.00 0.00 175.10 174.85 1jki s ILE 240 N -0.48 1.96 0.04 2.22 1.01 0.64 -4.23 121.20 122.35 1jki s ILE 240 Ca 0.06 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1jki s ILE 240 Cb -0.11 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1jki s ILE 240 CO 0.00 0.54 0.36 -0.69 0.00 0.00 0.00 174.94 175.16 1jki s VAL 241 N -0.02 5.15 -0.16 2.92 1.01 -0.52 -0.54 120.40 128.24 1jki s VAL 241 Ca -0.07 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1jki s VAL 241 Cb -0.14 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1jki s VAL 241 CO 0.05 0.39 0.27 -0.22 0.00 0.00 0.00 175.10 175.58 1jki s LEU 242 N -1.64 -0.30 -0.29 3.92 0.20 -0.77 -1.13 118.68 118.67 1jki s LEU 242 Ca 0.29 0.41 -0.29 0.00 0.69 0.00 0.00 54.13 55.23 1jki s LEU 242 Cb -0.14 0.69 -0.01 0.00 -0.43 0.00 0.00 46.19 46.30 1jki s LEU 242 CO 0.16 -0.26 1.47 0.86 -0.29 0.00 0.00 176.35 178.28 1jki s TRP 243 N 2.42 2.37 -0.24 5.38 -0.11 -0.50 -1.34 118.94 126.92 1jki s TRP 243 Ca 0.03 0.70 0.19 0.00 1.22 0.00 0.00 56.10 58.25 1jki s TRP 243 Cb -0.13 -4.02 0.49 0.00 -1.50 0.00 0.00 33.47 28.31 1jki s TRP 243 CO -0.10 -2.28 1.14 -2.37 -4.62 0.00 0.00 176.95 168.71 1jki n THR 244 N 6.50 1.47 -3.09 5.86 5.66 0.52 -1.79 114.28 129.41 1jki n THR 244 Ca 0.17 -3.04 -0.09 0.00 -3.05 0.00 0.00 64.05 58.04 1jki n THR 244 Cb 0.46 0.65 0.03 0.00 -1.55 0.00 0.00 70.33 69.91 1jki n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jki n ALA 245 N -0.53 0.51 -1.75 1.79 0.00 -1.04 -4.51 120.51 114.97 1jki n ALA 245 Ca 0.16 -0.91 -0.34 0.00 0.00 0.00 0.00 53.44 52.35 1jki n ALA 245 Cb 0.87 0.26 -0.00 0.00 0.00 0.00 0.00 19.45 20.58 1jki n ALA 245 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jki s ASN 246 N -2.53 5.84 0.07 0.00 -0.87 -1.26 -4.88 114.94 111.30 1jki s ASN 246 Ca 0.25 2.07 -0.33 0.00 -1.57 0.00 0.00 52.86 53.28 1jki s ASN 246 Cb -0.02 -2.57 -0.12 0.00 -0.02 0.00 0.00 41.25 38.52 1jki s ASN 246 CO 0.16 -1.13 1.75 0.41 -2.57 0.00 0.00 177.10 175.71 1jki n THR 247 N -1.35 0.29 -2.52 1.60 -1.04 -1.26 -4.99 114.28 105.02 1jki n THR 247 Ca 0.11 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.83 1jki n THR 247 Cb 0.52 -1.80 0.09 0.00 -1.82 0.00 0.00 70.33 67.31 1jki n THR 247 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jki s GLU 248 N 2.46 1.84 0.17 -2.82 2.02 -1.26 -4.81 118.70 116.30 1jki s GLU 248 Ca 0.84 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 54.86 1jki s GLU 248 Cb -0.63 -2.32 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 1jki s GLU 248 CO 0.42 -1.34 0.42 -0.98 0.02 0.00 0.00 175.26 173.81 1jki s ARG 249 N -5.12 3.66 0.53 1.61 1.70 -0.84 -4.30 118.95 116.19 1jki s ARG 249 Ca 0.64 -0.01 -0.20 0.00 -0.47 0.00 0.00 55.73 55.70 1jki s ARG 249 Cb -0.07 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 31.43 1jki s ARG 249 CO 0.44 0.42 0.70 0.66 -1.08 0.00 0.00 175.30 176.44 1jki n TYR 250 N -0.00 -0.05 -4.19 5.89 0.53 -1.26 -4.84 117.16 113.23 1jki n TYR 250 Ca -0.02 0.48 -0.23 0.00 -1.02 0.00 0.00 57.90 57.11 1jki n TYR 250 Cb 0.52 -2.04 -0.06 0.00 -1.03 0.00 0.00 39.34 36.73 1jki n TYR 250 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 1jki s VAL 251 N -1.57 3.98 -0.14 -0.72 -7.23 -1.26 -5.01 120.40 108.45 1jki s VAL 251 Ca 0.68 -1.57 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1jki s VAL 251 Cb -0.48 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1jki s VAL 251 CO 0.54 -0.31 0.61 -0.70 -0.31 0.00 0.00 175.10 174.93 1jki s GLU 252 N -3.61 4.31 -0.36 4.82 2.12 -1.26 -4.91 118.70 119.81 1jki s GLU 252 Ca 0.31 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 56.00 1jki s GLU 252 Cb -0.08 -3.51 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1jki s GLU 252 CO 0.22 -0.05 1.12 0.08 -0.54 0.00 0.00 175.26 176.08 1jki s VAL 253 N 1.27 4.39 0.07 3.70 1.01 -1.26 -4.95 120.40 124.64 1jki s VAL 253 Ca 0.30 1.57 0.05 0.00 0.00 0.00 0.00 61.98 63.90 1jki s VAL 253 Cb -0.16 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1jki s VAL 253 CO 0.12 -0.61 -0.14 -0.44 0.00 0.00 0.00 175.10 174.03 1jki s SER 254 N 1.98 1.70 0.03 3.32 0.01 -1.26 -5.04 113.70 114.45 1jki s SER 254 Ca 0.47 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1jki s SER 254 Cb -0.11 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 1jki s SER 254 CO 0.20 -0.08 1.92 -2.84 0.41 0.00 0.00 173.24 172.85 1jki s PRO 255 N -1.78 4.15 0.00 12.44 0.02 -1.26 -2.43 135.00 146.14 1jki s PRO 255 Ca -0.01 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1jki s PRO 255 Cb -0.10 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1jki s PRO 255 CO 0.02 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 1jki n GLY 256 N 4.46 0.55 1.59 0.52 0.00 -1.26 -4.85 105.19 106.20 1jki n GLY 256 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1jki n GLY 256 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jki n VAL 257 N -2.85 0.27 -0.96 1.61 3.14 -1.08 -4.90 118.33 113.57 1jki n VAL 257 Ca 0.00 0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.48 1jki n VAL 257 Cb 0.00 -0.95 0.02 0.00 -1.06 0.00 0.00 33.84 31.85 1jki n VAL 257 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1jki n ASN 258 N -3.11 0.80 -0.02 6.55 2.04 -1.02 -1.40 115.26 119.10 1jki n ASN 258 Ca 0.00 -1.72 -0.07 0.00 -0.44 0.00 0.00 54.58 52.35 1jki n ASN 258 Cb 0.10 -0.09 0.11 0.00 -2.53 0.00 0.00 39.78 37.37 1jki n ASN 258 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 1jki h ASP 259 N 0.00 0.63 -4.07 0.53 -0.00 -1.92 -0.61 116.42 110.98 1jki h ASP 259 Ca 0.00 -0.26 -0.34 0.00 -0.00 0.00 0.00 57.03 56.43 1jki h ASP 259 Cb 0.95 -0.17 -0.16 0.00 -0.00 0.00 0.00 39.33 39.95 1jki h ASP 259 CO 0.00 0.92 -0.73 0.42 -0.00 0.00 0.00 179.24 179.86 1jki s THR 260 N -4.36 1.15 0.29 1.15 -4.23 -1.26 -0.98 115.64 107.40 1jki s THR 260 Ca -0.08 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1jki s THR 260 Cb 0.13 -1.68 0.35 0.00 1.34 0.00 0.00 72.50 72.63 1jki s THR 260 CO 0.82 -0.65 1.61 -0.03 -0.54 0.00 0.00 174.62 175.84 1jki h MET 261 N 3.08 0.10 -0.00 3.99 1.85 -1.84 0.12 114.93 122.23 1jki h MET 261 Ca -0.37 -0.01 -0.19 0.00 -0.61 0.00 0.00 59.70 58.52 1jki h MET 261 Cb 1.19 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.19 1jki h MET 261 CO 0.59 0.06 -0.86 0.93 -0.40 0.00 0.00 176.91 177.23 1jki h GLU 262 N 0.10 0.19 -0.15 0.39 4.39 -1.95 -1.62 114.58 115.93 1jki h GLU 262 Ca 0.55 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1jki h GLU 262 Cb 1.13 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1jki h GLU 262 CO -0.77 0.94 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.10 1jki h ASN 263 N 0.11 0.27 -0.45 1.42 2.35 -1.30 -2.37 115.58 115.62 1jki h ASN 263 Ca -0.04 -0.33 0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1jki h ASN 263 Cb 1.48 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 39.73 1jki h ASN 263 CO 0.13 0.54 0.18 0.25 -1.65 0.00 0.00 177.43 176.88 1jki h LEU 264 N -0.00 0.22 0.08 1.61 5.85 0.10 0.53 115.31 123.70 1jki h LEU 264 Ca 0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jki h LEU 264 Cb 0.41 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1jki h LEU 264 CO 0.01 0.16 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.16 1jki h LEU 265 N 0.37 -0.09 -1.91 2.25 -0.00 -1.30 -1.39 115.31 113.24 1jki h LEU 265 Ca 0.21 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1jki h LEU 265 Cb 0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1jki h LEU 265 CO -0.19 0.02 0.03 -0.61 -0.00 0.00 0.00 178.44 177.69 1jki h GLN 266 N -0.20 0.08 -0.09 1.13 5.75 -0.81 -2.50 115.11 118.47 1jki h GLN 266 Ca -0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1jki h GLN 266 Cb 0.17 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1jki h GLN 266 CO 0.02 0.07 0.00 0.77 -2.65 0.00 0.00 178.83 177.04 1jki h SER 267 N 0.09 0.15 -0.87 -0.69 0.02 0.11 0.76 113.55 113.12 1jki h SER 267 Ca 0.02 -0.30 0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1jki h SER 267 Cb 0.02 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.43 1jki h SER 267 CO -0.00 0.41 0.48 0.40 -1.14 0.00 0.00 176.83 176.98 1jki h ILE 268 N -0.12 0.80 -0.32 3.27 2.04 -1.16 0.01 117.51 122.02 1jki h ILE 268 Ca 0.03 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 1jki h ILE 268 Cb 0.33 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1jki h ILE 268 CO 0.00 0.13 -0.30 0.11 0.00 0.00 0.00 178.15 178.09 1jki h LYS 269 N 0.72 0.77 0.00 2.37 1.57 -0.99 -2.40 116.57 118.62 1jki h LYS 269 Ca 0.46 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jki h LYS 269 Cb 0.58 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jki h LYS 269 CO -0.32 1.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.68 1jki n ASN 270 N -4.21 0.00 -1.22 0.86 4.13 0.26 -4.82 115.26 110.26 1jki n ASN 270 Ca -0.03 -1.89 -0.16 0.00 1.68 0.00 0.00 54.58 54.19 1jki n ASN 270 Cb 0.49 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1jki n ASN 270 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1jki n ASP 271 N -0.52 -5.52 -4.56 6.41 10.43 -0.15 -4.89 116.55 117.75 1jki n ASP 271 Ca 0.01 0.39 -0.49 0.00 2.57 0.00 0.00 54.79 57.27 1jki n ASP 271 Cb 0.00 -4.46 -0.04 0.00 1.84 0.00 0.00 41.12 38.47 1jki n ASP 271 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1jki n HIS 272 N -2.26 1.13 -0.04 1.24 -0.00 -0.94 -4.85 115.22 109.49 1jki n HIS 272 Ca -0.16 0.72 0.24 0.00 0.46 0.00 0.00 57.72 58.98 1jki n HIS 272 Cb 0.63 -2.24 0.72 0.00 -0.12 0.00 0.00 29.99 28.98 1jki n HIS 272 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1jki h GLU 273 N 2.97 0.00 -0.54 1.57 3.07 -1.92 -1.49 114.58 118.24 1jki h GLU 273 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1jki h GLU 273 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1jki h GLU 273 CO 0.67 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.67 1jki n GLU 274 N -4.04 1.65 -3.78 2.33 1.02 -1.26 -4.74 120.64 111.83 1jki n GLU 274 Ca 0.13 -0.67 -0.36 0.00 -0.02 0.00 0.00 57.16 56.23 1jki n GLU 274 Cb 0.78 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.68 1jki n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jki s ILE 275 N -1.59 4.63 0.29 -3.67 -1.09 -0.56 -4.87 121.20 114.34 1jki s ILE 275 Ca 0.12 -0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1jki s ILE 275 Cb 0.08 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1jki s ILE 275 CO 0.06 0.34 0.37 0.00 -1.23 0.00 0.00 174.94 174.48 1jki s ALA 276 N 1.38 3.99 0.25 9.38 0.00 -1.26 -4.98 121.76 130.52 1jki s ALA 276 Ca 0.06 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1jki s ALA 276 Cb -0.15 -1.58 0.49 0.00 0.00 0.00 0.00 23.12 21.88 1jki s ALA 276 CO 0.05 0.11 1.73 -1.35 0.00 0.00 0.00 175.76 176.30 1jki h PRO 277 N 1.12 0.44 -0.68 0.00 0.11 -1.92 -0.39 132.00 130.68 1jki h PRO 277 Ca -0.48 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.71 1jki h PRO 277 Cb 1.24 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 1jki h PRO 277 CO 0.58 0.29 -0.38 1.03 -0.21 0.00 0.00 178.00 179.31 1jki h SER 278 N 0.46 -1.34 -0.14 -2.05 0.87 -1.94 -1.46 113.55 107.95 1jki h SER 278 Ca 0.43 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 61.29 1jki h SER 278 Cb 0.67 0.65 -0.06 0.00 -0.44 0.00 0.00 62.40 63.22 1jki h SER 278 CO -0.41 -0.31 -0.22 0.74 -0.53 0.00 0.00 176.83 176.10 1jki h THR 279 N -0.15 0.46 -0.46 2.23 2.02 -1.39 -1.82 112.91 113.81 1jki h THR 279 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1jki h THR 279 Cb 0.56 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1jki h THR 279 CO -0.75 0.00 0.30 0.40 0.37 0.00 0.00 175.52 175.84 1jki h ILE 280 N -0.27 1.12 -0.03 3.11 1.08 -0.72 0.22 117.51 122.03 1jki h ILE 280 Ca 0.10 -0.22 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 1jki h ILE 280 Cb 0.42 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1jki h ILE 280 CO -0.30 0.12 -0.27 -0.26 -0.69 0.00 0.00 178.15 176.74 1jki h PHE 281 N 0.62 0.05 0.10 1.37 -1.00 -1.08 -1.09 116.94 115.92 1jki h PHE 281 Ca 0.17 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 1jki h PHE 281 Cb -0.07 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.48 1jki h PHE 281 CO -0.04 0.32 -0.05 0.00 -1.61 0.00 0.00 178.31 176.93 1jki h ALA 282 N 1.68 -0.14 -0.58 2.45 0.00 -0.44 -1.94 119.26 120.29 1jki h ALA 282 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jki h ALA 282 Cb 0.51 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1jki h ALA 282 CO 0.04 -0.30 0.33 0.00 0.00 0.00 0.00 179.25 179.32 1jki h ALA 283 N 0.09 1.49 0.00 0.00 0.00 -0.78 -0.94 119.26 119.12 1jki h ALA 283 Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1jki h ALA 283 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jki h ALA 283 CO 0.02 0.43 -0.42 0.00 0.00 0.00 0.00 179.25 179.28 1jki h ALA 284 N 1.57 1.00 -0.06 0.00 0.00 -1.19 -1.56 119.26 119.02 1jki h ALA 284 Ca 0.21 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1jki h ALA 284 Cb -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jki h ALA 284 CO -0.04 0.53 -0.94 0.77 0.00 0.00 0.00 179.25 179.57 1jki h SER 285 N 0.00 0.93 0.50 0.00 0.02 -0.37 -3.08 113.55 111.55 1jki h SER 285 Ca -0.00 -0.69 -0.02 0.00 -0.84 0.00 0.00 61.79 60.23 1jki h SER 285 Cb 0.93 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1jki h SER 285 CO 0.06 1.49 -0.24 0.40 -1.14 0.00 0.00 176.83 177.40 1jki h ILE 286 N 0.46 0.43 0.00 3.27 2.04 -1.20 0.75 117.51 123.25 1jki h ILE 286 Ca -0.10 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1jki h ILE 286 Cb 1.59 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1jki h ILE 286 CO 0.19 0.05 0.62 -0.07 0.00 0.00 0.00 178.15 178.94 1jki h LEU 287 N -0.91 0.00 -2.77 1.44 3.38 -1.37 3.29 115.31 118.38 1jki h LEU 287 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jki h LEU 287 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jki h LEU 287 CO 0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 1jki n GLU 288 N -2.52 2.69 -1.50 1.13 -0.58 -0.80 -4.93 120.64 114.13 1jki n GLU 288 Ca -0.01 -2.00 -0.17 0.00 -0.42 0.00 0.00 57.16 54.56 1jki n GLU 288 Cb 0.64 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 30.16 1jki n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jki n GLY 289 N 0.55 1.71 3.64 0.62 0.00 1.09 -4.96 105.19 107.85 1jki n GLY 289 Ca 0.12 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1jki n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jki s VAL 290 N -2.61 5.24 0.32 1.61 1.01 0.25 -4.90 120.40 121.32 1jki s VAL 290 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1jki s VAL 290 Cb 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 1jki s VAL 290 CO 0.00 0.24 1.45 -2.65 0.00 0.00 0.00 175.10 174.14 1jki n PRO 291 N 4.76 2.41 -3.93 2.72 -0.02 -1.26 -4.19 135.00 135.49 1jki n PRO 291 Ca -0.10 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 1jki n PRO 291 Cb 0.51 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 1jki n PRO 291 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jki s TYR 292 N -0.58 3.03 -0.35 6.00 6.14 -1.09 -1.44 117.35 129.07 1jki s TYR 292 Ca 0.60 -1.32 -0.11 0.00 0.64 0.00 0.00 57.07 56.88 1jki s TYR 292 Cb -0.54 -2.09 0.01 0.00 0.42 0.00 0.00 41.96 39.75 1jki s TYR 292 CO 0.56 -0.66 0.20 0.42 0.64 0.00 0.00 175.55 176.71 1jki s ILE 293 N 1.39 4.76 -0.86 3.14 1.01 -0.28 -2.02 121.20 128.34 1jki s ILE 293 Ca 0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 1jki s ILE 293 Cb -0.16 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1jki s ILE 293 CO -0.04 -0.10 1.12 0.21 0.00 0.00 0.00 174.94 176.14 1jki s ASN 294 N 1.62 6.48 0.00 3.58 2.47 0.73 -1.40 114.94 128.41 1jki s ASN 294 Ca 0.04 -1.67 0.03 0.00 0.42 0.00 0.00 52.86 51.68 1jki s ASN 294 Cb -0.18 -2.43 0.18 0.00 -1.45 0.00 0.00 41.25 37.37 1jki s ASN 294 CO 0.07 -1.23 0.93 0.61 -3.72 0.00 0.00 177.10 173.77 1jki n GLY 295 N 5.62 -0.81 3.38 1.21 0.00 -0.74 -1.59 105.19 112.27 1jki n GLY 295 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1jki n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jki s SER 296 N -1.28 2.51 0.44 1.61 0.01 -1.26 -1.89 113.70 113.84 1jki s SER 296 Ca 0.04 -1.13 0.14 0.00 1.31 0.00 0.00 55.95 56.32 1jki s SER 296 Cb 0.02 -0.12 0.99 0.00 0.21 0.00 0.00 66.02 67.12 1jki s SER 296 CO 0.03 -0.31 1.98 -0.65 0.41 0.00 0.00 173.24 174.71 1jki h PRO 297 N 2.43 0.00 -6.96 12.44 0.10 -1.86 -1.44 132.00 136.70 1jki h PRO 297 Ca -0.39 0.00 -0.53 0.00 0.10 0.00 0.00 66.00 65.18 1jki h PRO 297 Cb 1.23 0.00 0.21 0.00 0.10 0.00 0.00 31.00 32.53 1jki h PRO 297 CO 0.65 0.19 -0.28 0.00 0.10 0.00 0.00 178.00 178.66 1jki n GLN 298 N -4.31 -0.33 -2.25 1.05 0.00 -1.26 -4.74 117.38 105.53 1jki n GLN 298 Ca -0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 57.00 56.51 1jki n GLN 298 Cb 0.25 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.45 1jki n GLN 298 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1jki n ASN 299 N -2.33 5.16 -0.11 2.61 2.04 -1.26 -4.77 115.26 116.60 1jki n ASN 299 Ca 0.09 -3.09 -0.13 0.00 -0.44 0.00 0.00 54.58 51.01 1jki n ASN 299 Cb 0.53 -1.49 -0.03 0.00 -2.53 0.00 0.00 39.78 36.26 1jki n ASN 299 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1jki h THR 300 N 3.69 1.29 0.00 5.53 2.02 -1.93 -3.33 112.91 120.18 1jki h THR 300 Ca 0.43 -1.39 -0.53 0.00 0.77 0.00 0.00 66.41 65.69 1jki h THR 300 Cb 0.61 1.47 0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1jki h THR 300 CO 1.65 0.45 3.14 0.49 0.37 0.00 0.00 175.52 181.62 1jki n PHE 301 N -4.27 1.93 -0.51 3.16 0.99 -1.26 -4.78 117.46 112.73 1jki n PHE 301 Ca -0.03 -2.47 -0.29 0.00 -0.00 0.00 0.00 57.45 54.66 1jki n PHE 301 Cb 0.45 -2.06 0.24 0.00 -1.00 0.00 0.00 39.48 37.11 1jki n PHE 301 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1jki n VAL 302 N 4.09 0.00 0.23 -4.37 0.24 -1.25 -4.70 118.33 112.56 1jki n VAL 302 Ca 0.59 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 62.32 1jki n VAL 302 Cb 0.20 -0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 31.56 1jki n VAL 302 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1jki h PRO 303 N -2.58 -0.63 -1.58 7.34 0.13 -1.81 -1.72 132.00 131.14 1jki h PRO 303 Ca -0.60 0.04 0.51 0.00 -0.87 0.00 0.00 66.00 65.08 1jki h PRO 303 Cb 1.34 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.49 1jki h PRO 303 CO 0.47 -0.42 1.07 0.78 -0.23 0.00 0.00 178.00 179.67 1jki h GLY 304 N -0.65 0.91 1.11 1.56 0.00 0.60 1.27 103.07 107.87 1jki h GLY 304 Ca -0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 1jki h GLY 304 CO -0.01 -0.32 -1.39 -2.00 0.00 0.00 0.00 176.54 172.82 1jki h LEU 305 N 0.01 0.00 -1.30 3.11 5.85 -1.53 -2.97 115.31 118.48 1jki h LEU 305 Ca 0.90 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.55 1jki h LEU 305 Cb 3.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 44.17 1jki h LEU 305 CO -0.31 0.69 -0.34 0.58 -0.34 0.00 0.00 178.44 178.71 1jki h VAL 306 N 0.00 1.14 0.49 1.05 2.07 0.22 -2.73 116.25 118.49 1jki h VAL 306 Ca -0.17 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1jki h VAL 306 Cb 1.67 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1jki h VAL 306 CO 0.06 0.33 -0.23 1.56 0.02 0.00 0.00 177.57 179.31 1jki h GLN 307 N 0.00 -0.63 -0.99 1.57 4.20 -1.33 -3.07 115.11 114.87 1jki h GLN 307 Ca -0.00 0.04 0.27 0.00 0.06 0.00 0.00 58.65 59.02 1jki h GLN 307 Cb 0.64 0.14 -0.18 0.00 0.30 0.00 0.00 27.48 28.38 1jki h GLN 307 CO 0.04 -0.42 0.03 1.25 -0.67 0.00 0.00 178.83 179.06 1jki h LEU 308 N -0.80 -0.48 -1.24 1.46 7.12 -1.61 1.38 115.31 121.15 1jki h LEU 308 Ca -0.07 0.28 0.05 0.00 0.13 0.00 0.00 57.88 58.27 1jki h LEU 308 Cb 0.50 0.49 -0.05 0.00 -0.53 0.00 0.00 40.66 41.07 1jki h LEU 308 CO 0.11 -0.36 0.54 0.00 -0.13 0.00 0.00 178.44 178.60 1jki h ALA 309 N 1.98 1.55 0.28 1.25 0.00 -1.39 -0.45 119.26 122.48 1jki h ALA 309 Ca 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1jki h ALA 309 Cb 1.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jki h ALA 309 CO -0.92 0.35 -0.13 0.93 0.00 0.00 0.00 179.25 179.48 1jki h GLU 310 N 0.96 -0.36 -0.95 0.00 5.08 0.18 0.92 114.58 120.42 1jki h GLU 310 Ca 0.34 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.95 1jki h GLU 310 Cb 0.12 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.28 1jki h GLU 310 CO -0.11 -0.24 -0.07 1.25 -1.00 0.00 0.00 179.01 178.84 1jki h HIS 311 N -0.45 -0.22 -0.01 4.33 2.76 -0.87 1.52 115.15 122.22 1jki h HIS 311 Ca -0.04 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1jki h HIS 311 Cb 0.29 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1jki h HIS 311 CO 0.12 -0.40 -0.04 0.39 -1.30 0.00 0.00 177.93 176.69 1jki n GLU 312 N -5.52 1.15 -3.30 5.26 -0.58 -0.19 -4.89 120.64 112.57 1jki n GLU 312 Ca 0.19 -0.44 -0.17 0.00 -0.42 0.00 0.00 57.16 56.31 1jki n GLU 312 Cb 0.62 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.06 1jki n GLU 312 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jki n GLY 313 N 1.16 -0.16 3.28 0.62 0.00 0.52 -4.92 105.19 105.69 1jki n GLY 313 Ca 0.19 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1jki n GLY 313 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jki s THR 314 N -3.24 1.86 0.82 2.61 -4.23 0.30 -5.00 115.64 108.76 1jki s THR 314 Ca 0.41 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1jki s THR 314 Cb -0.18 -1.57 0.09 0.00 1.34 0.00 0.00 72.50 72.18 1jki s THR 314 CO 0.54 0.39 1.18 -0.36 -0.54 0.00 0.00 174.62 175.83 1jki s PHE 315 N -0.68 1.83 -0.06 3.99 2.99 -1.26 -4.56 117.98 120.24 1jki s PHE 315 Ca 0.09 1.69 -0.22 0.00 0.00 0.00 0.00 56.93 58.49 1jki s PHE 315 Cb -0.09 -3.41 0.05 0.00 0.00 0.00 0.00 43.02 39.56 1jki s PHE 315 CO 0.01 -2.73 0.50 0.96 -0.00 0.00 0.00 175.22 173.95 1jki s ILE 316 N -2.32 0.02 -0.11 0.64 -5.25 -1.23 -2.67 121.20 110.29 1jki s ILE 316 Ca 0.71 -0.20 -0.29 0.00 -0.99 0.00 0.00 60.65 59.88 1jki s ILE 316 Cb -0.26 -0.80 0.07 0.00 2.95 0.00 0.00 42.46 44.42 1jki s ILE 316 CO 0.52 -0.11 0.67 0.00 -1.79 0.00 0.00 174.94 174.23 1jki s ALA 317 N -1.01 -1.72 0.00 2.27 0.00 -0.85 -1.74 121.76 118.71 1jki s ALA 317 Ca -0.10 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1jki s ALA 317 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1jki s ALA 317 CO 0.06 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1jki n GLY 318 N 1.41 -0.28 0.90 0.00 0.00 -1.26 -0.19 105.19 105.77 1jki n GLY 318 Ca -0.18 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1jki n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jki n ASP 319 N 1.21 -1.21 -1.19 1.61 9.92 -0.62 -1.87 116.55 124.40 1jki n ASP 319 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jki n ASP 319 Cb 0.00 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1jki n ASP 319 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jki n ASP 320 N 0.00 -5.44 -4.69 -2.24 4.64 -0.54 -0.43 116.55 107.85 1jki n ASP 320 Ca 0.00 0.67 -0.42 0.00 -1.38 0.00 0.00 54.79 53.66 1jki n ASP 320 Cb 0.00 -2.76 -0.03 0.00 -1.04 0.00 0.00 41.12 37.29 1jki n ASP 320 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1jki s LEU 321 N -0.52 4.34 -0.81 -2.67 2.96 -0.79 0.38 118.68 121.57 1jki s LEU 321 Ca 0.00 2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 56.02 1jki s LEU 321 Cb 0.00 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.94 1jki s LEU 321 CO 0.00 -0.81 2.38 0.29 -1.32 0.00 0.00 176.35 176.89 1jki n LYS 322 N 5.43 0.45 -1.70 1.98 5.02 0.21 -4.62 118.16 124.94 1jki n LYS 322 Ca 0.15 -0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 55.58 1jki n LYS 322 Cb 0.42 -2.79 -0.03 0.00 -0.02 0.00 0.00 35.03 32.61 1jki n LYS 322 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jki n SER 323 N 14.24 3.69 -0.22 4.39 7.64 -1.26 -4.78 113.62 137.31 1jki n SER 323 Ca 0.52 1.07 0.10 0.00 1.01 0.00 0.00 58.87 61.57 1jki n SER 323 Cb 0.34 -1.52 0.50 0.00 -1.01 0.00 0.00 64.21 62.52 1jki n SER 323 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jki n GLY 324 N 3.78 -0.49 0.13 0.23 0.00 -1.26 -2.22 105.19 105.36 1jki n GLY 324 Ca 0.16 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1jki n GLY 324 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jki h GLN 325 N 0.90 0.41 0.00 1.61 4.15 -2.00 -2.93 115.11 117.25 1jki h GLN 325 Ca 0.00 -0.71 0.00 0.00 0.77 0.00 0.00 58.65 58.71 1jki h GLN 325 Cb 0.20 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1jki h GLN 325 CO 0.00 1.34 0.00 1.15 -1.93 0.00 0.00 178.83 179.39 1jki h THR 326 N -0.13 0.00 0.26 2.39 2.02 -1.80 -2.60 112.91 113.05 1jki h THR 326 Ca -0.20 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1jki h THR 326 Cb 1.89 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1jki h THR 326 CO 0.21 0.00 -0.12 0.11 0.37 0.00 0.00 175.52 176.09 1jki h LYS 327 N 0.00 -0.34 -0.55 6.66 1.57 -1.43 -2.94 116.57 119.54 1jki h LYS 327 Ca 0.00 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 1jki h LYS 327 Cb 0.30 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1jki h LYS 327 CO 0.00 -0.22 0.67 1.25 -0.57 0.00 0.00 179.45 180.57 1jki h LEU 328 N -0.49 0.00 0.29 2.94 6.46 -1.41 -1.21 115.31 121.89 1jki h LEU 328 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1jki h LEU 328 Cb 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1jki h LEU 328 CO 0.06 0.00 -0.14 0.50 -0.62 0.00 0.00 178.44 178.24 1jki h LYS 329 N 0.00 -0.38 -0.95 1.25 3.64 -1.46 -2.17 116.57 116.49 1jki h LYS 329 Ca 0.26 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1jki h LYS 329 Cb 1.59 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.42 1jki h LYS 329 CO -0.00 -0.25 0.60 0.77 -2.27 0.00 0.00 179.45 178.29 1jki h SER 330 N -1.03 0.90 0.74 4.20 0.02 -1.19 -0.10 113.55 117.10 1jki h SER 330 Ca -0.04 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1jki h SER 330 Cb 0.30 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1jki h SER 330 CO 0.07 0.52 -0.36 0.58 -1.14 0.00 0.00 176.83 176.50 1jki h VAL 331 N 1.00 0.00 -0.91 2.27 2.07 -1.34 0.76 116.25 120.11 1jki h VAL 331 Ca 0.45 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.96 1jki h VAL 331 Cb 0.34 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.99 1jki h VAL 331 CO -0.23 0.00 -0.45 0.18 0.02 0.00 0.00 177.57 177.09 1jki n LEU 332 N -5.02 -0.78 -0.11 2.57 7.99 -0.81 -0.67 117.00 120.16 1jki n LEU 332 Ca -0.12 1.60 -0.05 0.00 -0.01 0.00 0.00 56.01 57.42 1jki n LEU 332 Cb 0.39 -0.28 0.02 0.00 -0.11 0.00 0.00 43.42 43.44 1jki n LEU 332 CO 0.30 -1.36 0.87 0.00 -1.51 0.00 0.00 177.39 175.68 1jki h ALA 333 N 0.83 0.36 -0.69 -1.18 0.00 -0.89 -1.79 119.26 115.91 1jki h ALA 333 Ca 0.23 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1jki h ALA 333 Cb 0.45 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1jki h ALA 333 CO -0.87 -0.38 0.20 0.37 0.00 0.00 0.00 179.25 178.57 1jki h GLN 334 N 0.13 1.07 -0.24 0.00 5.75 0.92 -1.20 115.11 121.53 1jki h GLN 334 Ca 0.18 -0.23 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1jki h GLN 334 Cb 0.25 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1jki h GLN 334 CO -0.29 0.92 0.20 0.35 -2.65 0.00 0.00 178.83 177.37 1jki h PHE 335 N 1.02 0.00 0.00 3.99 3.04 -0.00 -1.89 116.94 123.10 1jki h PHE 335 Ca 0.22 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 1jki h PHE 335 Cb 0.31 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1jki h PHE 335 CO 0.02 0.00 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.12 1jki h LEU 336 N 0.00 0.00 -1.84 0.59 3.38 -1.05 -2.67 115.31 113.72 1jki h LEU 336 Ca 0.11 -0.83 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1jki h LEU 336 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1jki h LEU 336 CO -0.00 0.99 0.07 0.58 0.09 0.00 0.00 178.44 180.16 1jki h VAL 337 N -1.00 1.04 0.00 1.22 2.07 -1.15 0.13 116.25 118.57 1jki h VAL 337 Ca -0.03 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1jki h VAL 337 Cb 0.91 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1jki h VAL 337 CO -0.02 0.05 -0.19 0.44 0.02 0.00 0.00 177.57 177.87 1jki h ASP 338 N 0.17 0.00 -0.17 0.57 3.45 -1.41 -3.12 116.42 115.91 1jki h ASP 338 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1jki h ASP 338 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1jki h ASP 338 CO -0.01 0.19 0.00 0.00 -1.57 0.00 0.00 179.24 177.86 1jki n ALA 339 N -2.16 2.51 -0.77 3.45 0.00 -0.79 -4.93 120.51 117.82 1jki n ALA 339 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1jki n ALA 339 Cb 0.57 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1jki n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jki n GLY 340 N 1.23 0.54 3.79 0.00 0.00 -1.15 -5.06 105.19 104.54 1jki n GLY 340 Ca 0.17 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1jki n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jki s ILE 341 N -2.00 5.34 -0.82 -0.61 1.01 -0.03 -5.02 121.20 119.08 1jki s ILE 341 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 1jki s ILE 341 Cb 0.00 -3.54 0.22 0.00 0.01 0.00 0.00 42.46 39.14 1jki s ILE 341 CO 0.00 0.49 0.75 -0.75 0.00 0.00 0.00 174.94 175.43 1jki s LYS 342 N -0.21 3.55 0.36 2.79 2.20 -1.16 -3.49 119.74 123.78 1jki s LYS 342 Ca 0.15 -2.46 -0.28 0.00 -0.36 0.00 0.00 55.97 53.02 1jki s LYS 342 Cb -0.13 -4.39 -0.12 0.00 -1.51 0.00 0.00 37.83 31.68 1jki s LYS 342 CO 0.04 -1.29 1.37 -2.30 -0.36 0.00 0.00 175.35 172.82 1jki n PRO 343 N 3.96 2.34 -0.00 4.03 -0.01 -1.26 -1.86 135.00 142.20 1jki n PRO 343 Ca 0.13 0.82 0.02 0.00 -0.01 0.00 0.00 63.50 64.46 1jki n PRO 343 Cb 0.46 -2.48 -0.02 0.00 -0.01 0.00 0.00 33.50 31.46 1jki n PRO 343 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1jki n VAL 344 N 0.33 0.00 -3.65 -1.45 0.24 -0.77 -4.80 118.33 108.24 1jki n VAL 344 Ca 0.03 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1jki n VAL 344 Cb 0.37 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 1jki n VAL 344 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jki s SER 345 N -2.01 -0.61 -0.25 -1.34 1.04 -1.22 -0.78 113.70 108.53 1jki s SER 345 Ca -0.00 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.45 1jki s SER 345 Cb 0.02 1.04 0.12 0.00 0.10 0.00 0.00 66.02 67.30 1jki s SER 345 CO 0.13 -0.31 0.27 -0.63 0.98 0.00 0.00 173.24 173.68 1jki s ILE 346 N -0.09 -0.39 -0.21 -1.02 1.01 -0.77 -1.35 121.20 118.37 1jki s ILE 346 Ca -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1jki s ILE 346 Cb -0.04 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1jki s ILE 346 CO 0.03 -0.31 0.19 0.00 0.00 0.00 0.00 174.94 174.84 1jki s ALA 347 N 2.37 3.63 -0.21 9.38 0.00 0.85 -2.90 121.76 134.89 1jki s ALA 347 Ca 0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1jki s ALA 347 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1jki s ALA 347 CO -0.22 -0.03 -0.12 0.45 0.00 0.00 0.00 175.76 175.84 1jki s SER 348 N 0.71 3.75 0.07 0.00 0.15 -0.89 -0.31 113.70 117.18 1jki s SER 348 Ca 0.10 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.21 1jki s SER 348 Cb -0.13 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1jki s SER 348 CO 0.02 -0.03 -0.19 -0.31 1.20 0.00 0.00 173.24 173.94 1jki s TYR 349 N 1.36 1.61 -0.00 3.44 2.02 0.87 -2.28 117.35 124.37 1jki s TYR 349 Ca 0.04 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 1jki s TYR 349 Cb -0.14 -0.92 0.10 0.00 -0.40 0.00 0.00 41.96 40.60 1jki s TYR 349 CO -0.08 0.12 0.96 0.54 -1.57 0.00 0.00 175.55 175.52 1jki s ASN 350 N -1.53 -0.29 0.03 2.29 6.03 0.31 -0.36 114.94 121.42 1jki s ASN 350 Ca 0.05 -0.07 -0.08 0.00 -1.03 0.00 0.00 52.86 51.73 1jki s ASN 350 Cb -0.09 0.36 -0.00 0.00 -3.03 0.00 0.00 41.25 38.49 1jki s ASN 350 CO 0.03 -0.60 0.16 -1.38 -2.03 0.00 0.00 177.10 173.27 1jki s HIS 351 N -3.03 0.10 0.02 1.54 -3.43 -0.87 -0.06 115.29 109.55 1jki s HIS 351 Ca 0.07 -0.34 -0.27 0.00 -0.80 0.00 0.00 55.06 53.72 1jki s HIS 351 Cb -0.01 -0.07 0.06 0.00 -1.43 0.00 0.00 32.58 31.14 1jki s HIS 351 CO -0.06 -0.39 0.61 -0.48 -2.00 0.00 0.00 174.74 172.42 1jki s LEU 352 N -2.03 -0.46 -0.22 5.38 2.34 -1.18 0.28 118.68 122.80 1jki s LEU 352 Ca -0.06 0.43 0.14 0.00 0.06 0.00 0.00 54.13 54.70 1jki s LEU 352 Cb -0.02 2.41 0.55 0.00 -0.56 0.00 0.00 46.19 48.57 1jki s LEU 352 CO -0.04 -0.70 1.47 0.61 -1.06 0.00 0.00 176.35 176.64 1jki n GLY 353 N 0.55 4.21 3.65 -3.48 0.00 0.21 -2.18 105.19 108.16 1jki n GLY 353 Ca -0.19 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 1jki n GLY 353 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jki n ASN 354 N -0.63 0.98 0.05 1.61 0.23 0.36 -4.35 115.26 113.51 1jki n ASN 354 Ca 0.26 -1.92 0.01 0.00 -0.53 0.00 0.00 54.58 52.40 1jki n ASN 354 Cb 0.98 -0.70 0.33 0.00 -2.08 0.00 0.00 39.78 38.31 1jki n ASN 354 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1jki h ASN 355 N -0.83 0.39 0.00 0.53 -0.00 -1.97 0.25 115.58 113.95 1jki h ASN 355 Ca -0.33 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 1jki h ASN 355 Cb 1.14 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.36 1jki h ASN 355 CO 0.32 0.50 0.00 0.47 -0.00 0.00 0.00 177.43 178.72 1jki n ASP 356 N -4.27 0.00 -0.26 1.15 10.43 -1.26 0.45 116.55 122.78 1jki n ASP 356 Ca 0.01 0.80 0.21 0.00 2.57 0.00 0.00 54.79 58.38 1jki n ASP 356 Cb 0.26 -0.30 0.53 0.00 1.84 0.00 0.00 41.12 43.44 1jki n ASP 356 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1jki h GLY 357 N 0.00 0.89 0.78 0.44 0.00 -1.74 0.30 103.07 103.73 1jki h GLY 357 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1jki h GLY 357 CO 0.00 -0.04 -0.18 -1.82 0.00 0.00 0.00 176.54 174.50 1jki h TYR 358 N 0.37 0.50 0.00 5.60 -0.00 0.12 -0.71 116.97 122.86 1jki h TYR 358 Ca 0.50 -0.15 -0.07 0.00 -0.00 0.00 0.00 58.73 59.01 1jki h TYR 358 Cb 1.31 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.93 1jki h TYR 358 CO -0.00 0.80 -0.35 -0.97 -0.00 0.00 0.00 178.16 177.64 1jki h ASN 359 N 0.05 0.00 0.17 -2.11 -0.73 1.05 -2.81 115.58 111.21 1jki h ASN 359 Ca 0.02 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.04 1jki h ASN 359 Cb 0.73 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.31 1jki h ASN 359 CO 0.04 0.35 -0.59 -0.07 -0.37 0.00 0.00 177.43 176.79 1jki h LEU 360 N 0.00 0.48 -1.46 0.34 3.38 -0.73 -3.11 115.31 114.21 1jki h LEU 360 Ca -0.00 -0.27 0.42 0.00 0.09 0.00 0.00 57.88 58.12 1jki h LEU 360 Cb 0.63 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1jki h LEU 360 CO 0.05 0.96 1.17 -1.54 0.09 0.00 0.00 178.44 179.17 1jki n SER 361 N -3.92 0.00 -4.62 -0.43 3.41 -0.29 -3.41 113.62 104.37 1jki n SER 361 Ca -0.03 0.79 -0.43 0.00 -0.26 0.00 0.00 58.87 58.94 1jki n SER 361 Cb 0.62 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1jki n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jki s ALA 362 N -4.44 3.41 0.28 7.33 0.00 -1.17 -4.95 121.76 122.23 1jki s ALA 362 Ca -0.04 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.72 1jki s ALA 362 Cb 0.20 -3.62 0.90 0.00 0.00 0.00 0.00 23.12 20.60 1jki s ALA 362 CO 0.66 -1.63 1.29 -0.35 0.00 0.00 0.00 175.76 175.73 1jki n PRO 363 N 6.92 -0.06 -0.26 0.00 -0.04 -1.25 -0.61 135.00 139.70 1jki n PRO 363 Ca 0.09 1.17 -0.00 0.00 -0.04 0.00 0.00 63.50 64.72 1jki n PRO 363 Cb 0.48 -1.99 0.20 0.00 -0.04 0.00 0.00 33.50 32.15 1jki n PRO 363 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jki h LYS 364 N 0.00 1.09 0.25 0.54 6.56 -1.92 1.02 116.57 124.11 1jki h LYS 364 Ca 0.61 -0.07 -0.34 0.00 -1.06 0.00 0.00 60.65 59.79 1jki h LYS 364 Cb 1.49 -0.24 0.04 0.00 -0.57 0.00 0.00 32.23 32.95 1jki h LYS 364 CO -0.69 0.73 -1.47 1.96 -2.06 0.00 0.00 179.45 177.91 1jki h GLN 365 N 1.12 0.55 -0.79 3.15 7.50 -1.12 -3.18 115.11 122.34 1jki h GLN 365 Ca 0.30 -0.93 0.05 0.00 0.50 0.00 0.00 58.65 58.57 1jki h GLN 365 Cb -0.12 0.35 -0.05 0.00 0.05 0.00 0.00 27.48 27.71 1jki h GLN 365 CO -0.06 1.44 0.52 0.35 -1.50 0.00 0.00 178.83 179.58 1jki h PHE 366 N 0.14 0.90 -0.06 2.96 3.57 -0.84 -2.10 116.94 121.51 1jki h PHE 366 Ca -0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.28 1jki h PHE 366 Cb 2.16 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.60 1jki h PHE 366 CO 0.13 0.49 0.10 -0.09 -2.23 0.00 0.00 178.31 176.71 1jki h ARG 367 N 0.90 0.00 -0.07 1.11 2.43 0.11 -1.95 114.38 116.91 1jki h ARG 367 Ca 0.33 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.31 1jki h ARG 367 Cb 0.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1jki h ARG 367 CO -0.11 0.00 -0.75 0.77 -1.51 0.00 0.00 179.97 178.38 1jki h SER 368 N 0.00 0.50 0.17 -3.80 0.02 -1.47 -3.18 113.55 105.80 1jki h SER 368 Ca 0.03 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.49 1jki h SER 368 Cb 0.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1jki h SER 368 CO -0.00 1.08 -0.58 0.11 -1.14 0.00 0.00 176.83 176.30 1jki h LYS 369 N 0.28 0.42 -0.14 3.45 1.79 -1.45 -2.24 116.57 118.68 1jki h LYS 369 Ca -0.03 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1jki h LYS 369 Cb 1.33 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 1jki h LYS 369 CO 0.13 0.88 -0.17 0.93 -1.08 0.00 0.00 179.45 180.13 1jki h GLU 370 N 0.31 -0.10 0.00 3.15 4.39 -1.52 -1.97 114.58 118.83 1jki h GLU 370 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1jki h GLU 370 Cb 1.10 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1jki h GLU 370 CO 0.10 -0.07 -1.23 1.51 -1.16 0.00 0.00 179.01 178.16 1jki n ILE 371 N -3.54 0.31 -0.09 3.13 0.00 -1.20 -3.07 119.36 114.90 1jki n ILE 371 Ca -0.01 -0.42 0.11 0.00 0.00 0.00 0.00 62.75 62.43 1jki n ILE 371 Cb 0.10 -0.05 0.48 0.00 0.00 0.00 0.00 39.64 40.17 1jki n ILE 371 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1jki h SER 372 N 0.00 0.41 -0.40 9.51 4.64 -1.44 -3.41 113.55 122.86 1jki h SER 372 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jki h SER 372 Cb 0.89 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1jki h SER 372 CO 0.00 0.25 0.00 1.17 -0.87 0.00 0.00 176.83 177.38 1jki n LYS 373 N -4.47 2.34 0.00 4.77 0.00 -0.74 -3.45 118.16 116.60 1jki n LYS 373 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1jki n LYS 373 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 1jki n LYS 373 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jki n SER 374 N 0.00 -0.22 -0.82 3.14 2.88 -1.25 -4.79 113.62 112.56 1jki n SER 374 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jki n SER 374 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jki n SER 374 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jki n SER 375 N -1.31 -0.00 -0.00 -3.46 7.64 -1.26 -4.40 113.62 110.82 1jki n SER 375 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1jki n SER 375 Cb 0.00 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1jki n SER 375 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1jki n VAL 376 N -0.82 0.05 0.16 0.44 3.14 -1.26 -4.51 118.33 115.53 1jki n VAL 376 Ca 0.00 -0.02 -0.14 0.00 -2.96 0.00 0.00 64.34 61.23 1jki n VAL 376 Cb 0.00 -1.20 -0.07 0.00 -1.06 0.00 0.00 33.84 31.51 1jki n VAL 376 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1jki h ILE 377 N -0.02 0.52 0.00 1.55 1.08 -1.99 -0.52 117.51 118.12 1jki h ILE 377 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1jki h ILE 377 Cb 1.02 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1jki h ILE 377 CO -0.01 0.00 -0.08 0.44 -0.69 0.00 0.00 178.15 177.80 1jki h ASP 378 N -0.48 0.00 0.40 1.72 3.32 -1.90 0.22 116.42 119.69 1jki h ASP 378 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1jki h ASP 378 Cb 0.45 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.02 1jki h ASP 378 CO -0.05 0.08 -1.41 0.44 -1.72 0.00 0.00 179.24 176.59 1jki h ASP 379 N 0.00 0.69 -0.26 6.45 3.32 -1.72 0.11 116.42 125.01 1jki h ASP 379 Ca -0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 57.03 56.13 1jki h ASP 379 Cb 0.19 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1jki h ASP 379 CO 0.01 1.59 -0.50 0.40 -1.72 0.00 0.00 179.24 179.02 1jki h ILE 380 N 0.12 1.28 0.52 0.35 2.04 -0.50 -2.09 117.51 119.23 1jki h ILE 380 Ca -0.22 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 1jki h ILE 380 Cb 2.10 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 39.76 1jki h ILE 380 CO 0.25 0.55 -0.25 0.40 0.00 0.00 0.00 178.15 179.10 1jki h ILE 381 N 0.66 0.40 -0.90 -0.67 2.04 -0.63 -3.10 117.51 115.31 1jki h ILE 381 Ca 0.03 -0.34 0.21 0.00 1.00 0.00 0.00 64.86 65.76 1jki h ILE 381 Cb 1.09 0.53 -0.17 0.00 -0.74 0.00 0.00 36.82 37.53 1jki h ILE 381 CO 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 178.24 1jki h ALA 382 N -0.59 0.86 0.00 1.87 0.00 -0.78 -1.81 119.26 118.82 1jki h ALA 382 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jki h ALA 382 Cb 0.61 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jki h ALA 382 CO 0.12 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 1jki n SER 383 N -5.49 0.00 -3.16 0.00 3.41 -0.79 -4.34 113.62 103.25 1jki n SER 383 Ca 0.17 -0.35 -0.21 0.00 -0.26 0.00 0.00 58.87 58.23 1jki n SER 383 Cb 0.57 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1jki n SER 383 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jki n ASN 384 N -1.09 -0.80 0.00 4.04 2.85 -0.68 -4.92 115.26 114.65 1jki n ASN 384 Ca 0.11 -2.68 0.05 0.00 -0.11 0.00 0.00 54.58 51.95 1jki n ASN 384 Cb 0.08 -0.07 0.27 0.00 1.24 0.00 0.00 39.78 41.31 1jki n ASN 384 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1jki n ASP 385 N 2.09 0.00 0.01 1.20 3.85 -1.25 -1.61 116.55 120.84 1jki n ASP 385 Ca 0.22 -1.65 -0.16 0.00 -0.71 0.00 0.00 54.79 52.50 1jki n ASP 385 Cb 0.53 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.25 1jki n ASP 385 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1jki h ILE 386 N 0.00 1.31 0.04 2.12 2.04 -1.94 -3.38 117.51 117.71 1jki h ILE 386 Ca 0.00 -2.09 -0.18 0.00 1.00 0.00 0.00 64.86 63.59 1jki h ILE 386 Cb 0.00 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1jki h ILE 386 CO 0.00 0.65 -0.94 -0.07 0.00 0.00 0.00 178.15 177.79 1jki h LEU 387 N 0.43 0.14 -8.37 1.44 4.07 -1.74 -3.45 115.31 107.83 1jki h LEU 387 Ca -0.06 -0.78 -0.67 0.00 0.08 0.00 0.00 57.88 56.45 1jki h LEU 387 Cb 1.44 -0.05 -0.27 0.00 1.08 0.00 0.00 40.66 42.87 1jki h LEU 387 CO 0.16 1.39 -0.64 -0.31 -1.08 0.00 0.00 178.44 177.96 1jki s TYR 388 N -2.36 3.13 0.23 1.13 1.51 -0.63 -4.80 117.35 115.56 1jki s TYR 388 Ca -0.23 -1.01 -0.11 0.00 -1.01 0.00 0.00 57.07 54.71 1jki s TYR 388 Cb 0.03 -2.23 0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1jki s TYR 388 CO 0.69 -0.58 0.58 0.27 -1.11 0.00 0.00 175.55 175.40 1jki n ASN 389 N 4.85 -1.45 0.19 2.29 0.23 -1.21 -3.90 115.26 116.25 1jki n ASN 389 Ca -0.15 -1.95 0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1jki n ASN 389 Cb 0.48 2.41 0.25 0.00 -2.08 0.00 0.00 39.78 40.84 1jki n ASN 389 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jki h ASP 390 N 1.34 0.00 0.01 0.53 5.19 -1.95 -1.19 116.42 120.34 1jki h ASP 390 Ca -0.22 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1jki h ASP 390 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1jki h ASP 390 CO 0.28 0.33 -0.00 0.50 -3.12 0.00 0.00 179.24 177.22 1jki h LYS 391 N 0.00 -0.01 -0.08 3.56 3.64 -1.99 -3.34 116.57 118.36 1jki h LYS 391 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jki h LYS 391 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1jki h LYS 391 CO 0.04 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 179.07 1jki n LEU 392 N -4.69 0.69 0.00 5.20 4.77 -1.25 -5.02 117.00 116.69 1jki n LEU 392 Ca -0.06 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1jki n LEU 392 Cb 0.28 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1jki n LEU 392 CO 0.20 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1jki n GLY 393 N 0.91 -2.56 0.91 -0.72 0.00 -0.54 -4.84 105.19 98.35 1jki n GLY 393 Ca 0.14 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 45.13 1jki n GLY 393 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jki n LYS 394 N -0.30 3.07 -4.14 1.61 2.85 -0.70 -3.31 118.16 117.24 1jki n LYS 394 Ca 0.00 -2.54 -0.24 0.00 -1.05 0.00 0.00 58.31 54.48 1jki n LYS 394 Cb 0.00 -1.63 -0.05 0.00 -0.65 0.00 0.00 35.03 32.70 1jki n LYS 394 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1jki s LYS 395 N -1.95 2.78 -0.26 -1.58 1.02 -1.26 -4.84 119.74 113.65 1jki s LYS 395 Ca 0.36 -1.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 1jki s LYS 395 Cb 0.25 -2.52 0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1jki s LYS 395 CO 0.14 0.43 0.03 0.08 -0.92 0.00 0.00 175.35 175.11 1jki s VAL 396 N -1.98 1.12 0.36 3.17 1.01 -1.26 -4.78 120.40 118.05 1jki s VAL 396 Ca 0.31 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1jki s VAL 396 Cb -0.09 -1.65 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 1jki s VAL 396 CO 0.23 -0.38 1.52 -1.81 0.00 0.00 0.00 175.10 174.65 1jki s ASP 397 N 1.54 6.33 -0.05 3.32 -0.00 0.04 -4.85 116.67 122.99 1jki s ASP 397 Ca 0.03 3.04 -0.24 0.00 -0.00 0.00 0.00 52.55 55.37 1jki s ASP 397 Cb -0.18 -2.66 0.05 0.00 -0.00 0.00 0.00 42.92 40.13 1jki s ASP 397 CO -0.14 -0.89 0.54 -1.38 -0.00 0.00 0.00 175.17 173.30 1jki s HIS 398 N -0.87 -0.49 0.08 4.23 -3.43 -1.26 -1.84 115.29 111.70 1jki s HIS 398 Ca 0.55 0.88 -0.04 0.00 -0.80 0.00 0.00 55.06 55.65 1jki s HIS 398 Cb -0.47 0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 30.94 1jki s HIS 398 CO 0.60 -0.51 0.07 0.00 -2.00 0.00 0.00 174.74 172.91 1jki s ILE 400 N -3.91 0.84 -0.07 0.00 1.01 -1.26 -2.09 121.20 115.73 1jki s ILE 400 Ca 0.08 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1jki s ILE 400 Cb 0.07 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1jki s ILE 400 CO -0.09 0.09 -0.09 -0.69 0.00 0.00 0.00 174.94 174.16 1jki s VAL 401 N 1.75 0.98 -0.17 2.92 1.01 -0.97 -5.06 120.40 120.86 1jki s VAL 401 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1jki s VAL 401 Cb -0.15 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1jki s VAL 401 CO -0.07 0.33 -0.07 -0.51 0.00 0.00 0.00 175.10 174.78 1jki s ILE 402 N 0.96 1.24 0.09 2.22 2.07 -1.25 0.11 121.20 126.64 1jki s ILE 402 Ca -0.09 -0.72 0.10 0.00 -1.41 0.00 0.00 60.65 58.53 1jki s ILE 402 Cb -0.15 -1.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 1jki s ILE 402 CO 0.00 0.14 -0.26 -0.54 -1.91 0.00 0.00 174.94 172.37 1jki s LYS 403 N 1.58 1.60 -0.31 3.50 -0.14 0.91 -4.86 119.74 122.01 1jki s LYS 403 Ca 0.00 -1.23 -0.26 0.00 -1.36 0.00 0.00 55.97 53.12 1jki s LYS 403 Cb -0.15 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1jki s LYS 403 CO -0.08 0.48 0.93 -0.47 -0.76 0.00 0.00 175.35 175.45 1jki s TYR 404 N -0.94 3.18 -0.59 3.18 6.14 -1.26 -3.09 117.35 123.97 1jki s TYR 404 Ca 0.13 1.01 0.06 0.00 0.64 0.00 0.00 57.07 58.91 1jki s TYR 404 Cb -0.10 -3.45 0.26 0.00 0.42 0.00 0.00 41.96 39.09 1jki s TYR 404 CO 0.04 -0.66 0.73 -1.33 0.64 0.00 0.00 175.55 174.97 1jki n MET 405 N 6.53 2.26 -0.24 4.97 2.81 -0.93 -4.96 117.12 127.56 1jki n MET 405 Ca 0.08 -4.42 0.23 0.00 -1.81 0.00 0.00 57.70 51.78 1jki n MET 405 Cb 0.48 -2.07 0.42 0.00 -0.71 0.00 0.00 33.22 31.34 1jki n MET 405 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1jki n LYS 406 N 0.82 -0.04 -0.02 0.03 4.81 -1.26 -1.36 118.16 121.14 1jki n LYS 406 Ca 0.28 0.96 0.22 0.00 -0.87 0.00 0.00 58.31 58.90 1jki n LYS 406 Cb 0.43 -1.74 0.71 0.00 0.02 0.00 0.00 35.03 34.45 1jki n LYS 406 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1jki h PRO 407 N 0.00 0.00 0.00 1.64 0.11 -1.93 -1.19 132.00 130.63 1jki h PRO 407 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1jki h PRO 407 Cb 1.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.75 1jki h PRO 407 CO -0.51 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.61 1jki n VAL 408 N -4.27 0.64 -0.28 3.15 0.24 -0.47 -5.00 118.33 112.34 1jki n VAL 408 Ca 0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1jki n VAL 408 Cb 0.68 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1jki n VAL 408 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jki n GLY 409 N 1.16 1.33 0.03 7.63 0.00 -0.45 -2.50 105.19 112.39 1jki n GLY 409 Ca 0.05 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.68 1jki n GLY 409 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jki n ASP 410 N 6.15 0.34 -4.76 1.61 -0.08 -1.26 0.66 116.55 119.21 1jki n ASP 410 Ca 0.00 -0.07 -0.39 0.00 -1.51 0.00 0.00 54.79 52.81 1jki n ASP 410 Cb 0.00 -0.07 0.03 0.00 2.34 0.00 0.00 41.12 43.41 1jki n ASP 410 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1jki s SER 411 N -2.89 5.65 -0.07 1.67 0.01 -1.04 -1.85 113.70 115.18 1jki s SER 411 Ca 0.16 2.84 0.03 0.00 1.31 0.00 0.00 55.95 60.29 1jki s SER 411 Cb 0.19 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1jki s SER 411 CO 0.59 -1.32 -0.16 -0.75 0.41 0.00 0.00 173.24 172.01 1jki s LYS 412 N -2.63 2.03 -0.17 12.44 2.47 -0.25 -3.74 119.74 129.89 1jki s LYS 412 Ca 0.65 -0.57 -0.02 0.00 -1.56 0.00 0.00 55.97 54.47 1jki s LYS 412 Cb -0.42 -1.65 -0.02 0.00 -1.46 0.00 0.00 37.83 34.29 1jki s LYS 412 CO 0.52 0.12 -0.07 0.08 0.16 0.00 0.00 175.35 176.15 1jki s VAL 413 N 0.43 3.41 -0.05 4.02 1.01 0.14 -3.04 120.40 126.33 1jki s VAL 413 Ca -0.13 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1jki s VAL 413 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1jki s VAL 413 CO 0.05 0.48 -0.20 0.00 0.00 0.00 0.00 175.10 175.43 1jki s ALA 414 N 0.70 1.77 -0.06 5.51 0.00 0.14 -2.06 121.76 127.76 1jki s ALA 414 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1jki s ALA 414 Cb -0.15 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1jki s ALA 414 CO 0.02 0.33 -0.11 -1.64 0.00 0.00 0.00 175.76 174.35 1jki s MET 415 N -0.02 1.61 -0.03 0.00 -1.94 0.51 -0.62 119.30 118.82 1jki s MET 415 Ca -0.04 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1jki s MET 415 Cb -0.13 -1.35 0.02 0.00 2.01 0.00 0.00 34.83 35.38 1jki s MET 415 CO 0.03 0.01 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.52 1jki s ASP 416 N 0.71 0.65 -0.09 3.03 1.01 -0.62 -0.09 116.67 121.27 1jki s ASP 416 Ca -0.14 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.09 1jki s ASP 416 Cb -0.16 -0.31 -0.00 0.00 1.01 0.00 0.00 42.92 43.47 1jki s ASP 416 CO 0.03 -0.06 -0.24 -1.61 0.21 0.00 0.00 175.17 173.50 1jki s GLU 417 N 0.84 2.93 -0.12 8.23 0.41 0.58 -0.54 118.70 131.04 1jki s GLU 417 Ca -0.10 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.61 1jki s GLU 417 Cb -0.13 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 1jki s GLU 417 CO -0.01 0.24 -0.22 0.71 -0.49 0.00 0.00 175.26 175.49 1jki s TYR 418 N 0.20 2.63 -0.18 1.61 1.51 0.87 -0.11 117.35 123.88 1jki s TYR 418 Ca -0.15 -1.08 -0.00 0.00 -1.01 0.00 0.00 57.07 54.83 1jki s TYR 418 Cb -0.17 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1jki s TYR 418 CO 0.07 -0.45 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.44 1jki s TYR 419 N 0.49 2.81 0.10 2.71 6.04 -0.46 0.53 117.35 129.56 1jki s TYR 419 Ca -0.14 -1.32 0.07 0.00 0.04 0.00 0.00 57.07 55.72 1jki s TYR 419 Cb -0.17 -1.94 -0.03 0.00 -1.04 0.00 0.00 41.96 38.77 1jki s TYR 419 CO 0.05 -0.65 -0.17 -1.12 -1.54 0.00 0.00 175.55 172.12 1jki s SER 420 N 1.17 2.14 0.00 4.32 0.01 -0.84 -1.84 113.70 118.67 1jki s SER 420 Ca 0.02 -0.69 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 1jki s SER 420 Cb -0.14 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 1jki s SER 420 CO -0.07 -0.03 0.89 -1.61 0.41 0.00 0.00 173.24 172.83 1jki s GLU 421 N -2.04 4.54 0.54 12.44 2.02 -0.78 -1.22 118.70 134.20 1jki s GLU 421 Ca 0.04 1.26 0.08 0.00 0.02 0.00 0.00 54.97 56.38 1jki s GLU 421 Cb -0.09 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.76 1jki s GLU 421 CO 0.03 0.04 0.65 -0.51 0.02 0.00 0.00 175.26 175.50 1jki s LEU 422 N 0.73 3.09 0.40 1.80 1.43 -0.57 -3.00 118.68 122.57 1jki s LEU 422 Ca 0.47 -0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 52.43 1jki s LEU 422 Cb -0.20 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1jki s LEU 422 CO 0.25 -1.18 1.25 0.00 0.23 0.00 0.00 176.35 176.90 1jki s MET 423 N -4.51 3.99 -1.22 1.70 0.23 -1.26 -4.07 119.30 114.16 1jki s MET 423 Ca 0.54 2.03 -0.01 0.00 -1.03 0.00 0.00 55.69 57.21 1jki s MET 423 Cb -0.05 -2.72 -0.01 0.00 -1.53 0.00 0.00 34.83 30.52 1jki s MET 423 CO 0.34 -0.43 0.87 1.28 -2.03 0.00 0.00 175.02 175.04 1jki n LEU 424 N 0.10 -3.81 0.00 0.18 4.77 -1.26 -2.66 117.00 114.32 1jki n LEU 424 Ca 0.04 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1jki n LEU 424 Cb 0.45 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1jki n LEU 424 CO 0.54 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1jki n GLY 425 N -1.33 3.02 3.47 -0.72 0.00 -1.26 -5.03 105.19 103.34 1jki n GLY 425 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1jki n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jki n GLY 426 N -1.56 -1.66 3.11 -0.02 0.00 -1.09 -4.87 105.19 99.09 1jki n GLY 426 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 1jki n GLY 426 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jki s HIS 427 N -2.43 0.49 -0.03 1.61 3.76 -1.26 -1.51 115.29 115.91 1jki s HIS 427 Ca 0.62 -1.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1jki s HIS 427 Cb -0.21 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.13 1jki s HIS 427 CO 0.64 -0.41 -0.11 1.21 -0.85 0.00 0.00 174.74 175.22 1jki s ASN 428 N -2.92 1.46 -0.18 1.40 3.84 -0.36 -4.81 114.94 113.37 1jki s ASN 428 Ca 0.08 -0.23 0.01 0.00 0.21 0.00 0.00 52.86 52.92 1jki s ASN 428 Cb 0.08 -0.44 0.03 0.00 -0.55 0.00 0.00 41.25 40.37 1jki s ASN 428 CO -0.09 0.08 -0.16 -0.60 -2.79 0.00 0.00 177.10 173.53 1jki s ARG 429 N 0.24 2.55 -0.06 0.43 3.52 -1.26 -1.98 118.95 122.38 1jki s ARG 429 Ca -0.05 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1jki s ARG 429 Cb -0.10 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.87 1jki s ARG 429 CO 0.01 -0.28 -0.25 0.42 -0.81 0.00 0.00 175.30 174.40 1jki s ILE 430 N 1.36 2.08 -0.01 4.11 1.01 0.19 -4.94 121.20 125.00 1jki s ILE 430 Ca 0.03 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1jki s ILE 430 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1jki s ILE 430 CO -0.11 0.57 -0.10 -0.94 0.00 0.00 0.00 174.94 174.36 1jki s SER 431 N -0.14 1.27 -0.30 3.58 1.04 -1.26 -0.09 113.70 117.80 1jki s SER 431 Ca -0.04 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 1jki s SER 431 Cb -0.14 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.79 1jki s SER 431 CO 0.04 0.12 0.09 -0.63 0.98 0.00 0.00 173.24 173.83 1jki s ILE 432 N -0.14 4.03 -0.13 -1.02 -1.09 0.30 -4.97 121.20 118.19 1jki s ILE 432 Ca 0.02 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1jki s ILE 432 Cb -0.05 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1jki s ILE 432 CO -0.00 0.07 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.48 1jki s HIS 433 N 1.51 3.07 -0.13 3.97 2.46 -1.26 -1.58 115.29 123.33 1jki s HIS 433 Ca 0.03 -0.10 -0.02 0.00 0.47 0.00 0.00 55.06 55.44 1jki s HIS 433 Cb -0.17 -1.90 0.04 0.00 -0.13 0.00 0.00 32.58 30.42 1jki s HIS 433 CO 0.03 0.15 -0.00 1.21 -2.47 0.00 0.00 174.74 173.66 1jki s ASN 434 N -0.08 2.26 -0.14 9.88 2.47 0.21 -5.00 114.94 124.54 1jki s ASN 434 Ca 0.03 -0.43 0.02 0.00 0.42 0.00 0.00 52.86 52.90 1jki s ASN 434 Cb -0.13 -0.59 0.01 0.00 -1.45 0.00 0.00 41.25 39.09 1jki s ASN 434 CO 0.02 -0.22 -0.21 -0.69 -3.72 0.00 0.00 177.10 172.28 1jki s VAL 435 N 1.86 2.01 0.05 -5.21 1.01 -1.26 0.27 120.40 119.13 1jki s VAL 435 Ca 0.02 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 1jki s VAL 435 Cb -0.14 -1.79 0.09 0.00 0.00 0.00 0.00 36.38 34.54 1jki s VAL 435 CO -0.07 0.54 0.82 0.00 0.00 0.00 0.00 175.10 176.39 1jki s GLU 437 N -3.31 4.23 0.20 0.00 2.02 -1.26 -1.09 118.70 119.49 1jki s GLU 437 Ca 0.05 1.39 0.25 0.00 0.02 0.00 0.00 54.97 56.68 1jki s GLU 437 Cb -0.01 -3.68 0.89 0.00 0.10 0.00 0.00 34.13 31.43 1jki s GLU 437 CO -0.09 -0.68 1.76 -0.40 0.02 0.00 0.00 175.26 175.87 1jki n ASP 438 N 6.45 0.69 0.02 -0.19 3.85 -0.77 -1.70 116.55 124.90 1jki n ASP 438 Ca 0.12 0.60 0.11 0.00 -0.71 0.00 0.00 54.79 54.91 1jki n ASP 438 Cb 0.46 -0.77 0.55 0.00 -1.35 0.00 0.00 41.12 40.01 1jki n ASP 438 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1jki h SER 439 N 0.00 0.24 0.00 -1.12 0.02 -1.90 0.44 113.55 111.24 1jki h SER 439 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jki h SER 439 Cb 0.59 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1jki h SER 439 CO 0.00 0.16 0.00 0.18 -1.14 0.00 0.00 176.83 176.03 1jki n LEU 440 N -4.47 0.00 -0.00 5.07 4.77 -0.69 -1.89 117.00 119.79 1jki n LEU 440 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1jki n LEU 440 Cb 0.29 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1jki n LEU 440 CO 0.35 0.00 -0.53 0.18 -1.33 0.00 0.00 177.39 176.06 1jki n LEU 441 N -0.91 2.61 0.03 2.23 4.32 0.75 -4.59 117.00 121.43 1jki n LEU 441 Ca 0.11 -0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.08 1jki n LEU 441 Cb 0.05 -0.02 0.25 0.00 -1.62 0.00 0.00 43.42 42.08 1jki n LEU 441 CO 0.09 0.45 0.80 0.00 -1.22 0.00 0.00 177.39 177.51 1jki h ALA 442 N 0.00 1.22 0.43 -1.18 0.00 -0.11 -2.95 119.26 116.67 1jki h ALA 442 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1jki h ALA 442 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jki h ALA 442 CO -0.00 0.50 -0.21 1.15 0.00 0.00 0.00 179.25 180.70 1jki h THR 443 N 0.41 0.54 -0.10 0.00 2.02 -1.64 0.95 112.91 115.09 1jki h THR 443 Ca 0.07 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1jki h THR 443 Cb 0.55 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1jki h THR 443 CO 0.04 0.06 0.08 1.55 0.37 0.00 0.00 175.52 177.62 1jki h PRO 444 N -0.80 0.00 -0.21 6.66 0.13 -1.81 0.18 132.00 136.15 1jki h PRO 444 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1jki h PRO 444 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1jki h PRO 444 CO 0.10 0.00 -0.04 1.25 -0.23 0.00 0.00 178.00 179.08 1jki h LEU 445 N 0.00 0.40 -0.54 1.56 6.46 -1.13 0.23 115.31 122.28 1jki h LEU 445 Ca 0.05 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1jki h LEU 445 Cb 0.21 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1jki h LEU 445 CO -0.00 0.66 0.31 0.40 -0.62 0.00 0.00 178.44 179.19 1jki h ILE 446 N 0.13 1.02 0.00 4.05 2.04 0.12 0.44 117.51 125.30 1jki h ILE 446 Ca 0.05 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jki h ILE 446 Cb 0.48 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1jki h ILE 446 CO 0.02 0.11 0.00 -0.38 0.00 0.00 0.00 178.15 177.90 1jki n ILE 447 N -4.81 0.00 -0.23 -0.67 5.41 -0.74 -1.78 119.36 116.54 1jki n ILE 447 Ca 0.05 1.44 0.06 0.00 1.00 0.00 0.00 62.75 65.30 1jki n ILE 447 Cb 0.10 -2.31 0.13 0.00 -0.71 0.00 0.00 39.64 36.85 1jki n ILE 447 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1jki n ASP 448 N -2.06 -0.17 0.16 4.38 10.43 0.04 0.25 116.55 129.58 1jki n ASP 448 Ca 0.00 1.12 0.01 0.00 2.57 0.00 0.00 54.79 58.49 1jki n ASP 448 Cb 0.00 -0.37 0.26 0.00 1.84 0.00 0.00 41.12 42.85 1jki n ASP 448 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1jki h LEU 449 N 0.00 0.00 0.21 0.64 3.38 -0.48 -1.43 115.31 117.63 1jki h LEU 449 Ca 0.35 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.99 1jki h LEU 449 Cb 0.62 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 1jki h LEU 449 CO -0.65 0.50 -1.49 -0.07 0.09 0.00 0.00 178.44 176.82 1jki h LEU 450 N 0.00 0.71 -1.89 1.67 3.38 0.41 0.93 115.31 120.51 1jki h LEU 450 Ca -0.01 -0.93 0.08 0.00 0.09 0.00 0.00 57.88 57.12 1jki h LEU 450 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1jki h LEU 450 CO 0.07 1.70 0.26 0.58 0.09 0.00 0.00 178.44 181.13 1jki h VAL 451 N 0.05 0.88 0.02 1.22 2.07 -0.91 -2.45 116.25 117.13 1jki h VAL 451 Ca -0.28 -0.04 -0.30 0.00 0.82 0.00 0.00 66.70 66.90 1jki h VAL 451 Cb 2.07 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1jki h VAL 451 CO 0.22 0.02 -1.75 0.23 0.02 0.00 0.00 177.57 176.31 1jki n MET 452 N -4.46 0.65 0.11 1.57 2.81 -0.55 -2.74 117.12 114.52 1jki n MET 452 Ca 0.05 0.30 0.04 0.00 -1.81 0.00 0.00 57.70 56.28 1jki n MET 452 Cb 0.35 -1.78 0.45 0.00 -0.71 0.00 0.00 33.22 31.53 1jki n MET 452 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1jki h THR 453 N 0.01 1.11 0.07 2.03 2.02 -0.67 -1.19 112.91 116.30 1jki h THR 453 Ca -0.31 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1jki h THR 453 Cb 2.02 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1jki h THR 453 CO 0.08 0.14 -0.03 -0.08 0.37 0.00 0.00 175.52 176.00 1jki h GLU 454 N 0.29 -0.09 -0.35 6.66 4.22 -1.48 -2.91 114.58 120.92 1jki h GLU 454 Ca 0.07 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.59 1jki h GLU 454 Cb 0.15 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 1jki h GLU 454 CO -0.00 0.47 -0.30 0.35 -2.18 0.00 0.00 179.01 177.35 1jki h PHE 455 N -0.78 -0.82 -0.01 0.92 3.57 -1.49 0.19 116.94 118.52 1jki h PHE 455 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1jki h PHE 455 Cb 0.60 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1jki h PHE 455 CO 0.13 -0.37 0.32 0.00 -2.23 0.00 0.00 178.31 176.16 1jki h THR 457 N 0.00 0.00 -0.52 0.00 1.03 -0.41 -3.05 112.91 109.97 1jki h THR 457 Ca 0.01 -0.63 -0.06 0.00 -0.01 0.00 0.00 66.41 65.71 1jki h THR 457 Cb 0.64 1.55 -0.04 0.00 -1.07 0.00 0.00 68.15 69.24 1jki h THR 457 CO -0.00 0.00 0.06 0.54 -0.01 0.00 0.00 175.52 176.11 1jki n ARG 458 N -2.47 3.94 -4.52 0.00 1.74 0.15 -4.93 116.66 110.58 1jki n ARG 458 Ca 0.05 -3.06 -0.25 0.00 -0.77 0.00 0.00 57.85 53.81 1jki n ARG 458 Cb 0.46 -2.12 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 1jki n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jki s VAL 459 N -2.87 1.17 0.25 1.55 1.01 -1.15 0.89 120.40 121.25 1jki s VAL 459 Ca 0.51 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1jki s VAL 459 Cb 0.40 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1jki s VAL 459 CO 0.13 0.37 0.06 -0.94 0.00 0.00 0.00 175.10 174.71 1jki s SER 460 N 0.79 1.50 0.12 3.32 1.04 0.52 -4.53 113.70 116.47 1jki s SER 460 Ca -0.12 -1.32 -0.06 0.00 0.48 0.00 0.00 55.95 54.93 1jki s SER 460 Cb -0.15 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1jki s SER 460 CO 0.02 -0.64 0.16 -0.72 0.98 0.00 0.00 173.24 173.04 1jki s TYR 461 N -3.60 0.43 -0.05 5.02 -0.85 -0.17 0.12 117.35 118.25 1jki s TYR 461 Ca 0.34 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1jki s TYR 461 Cb 0.07 -0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1jki s TYR 461 CO 0.11 -0.58 0.13 -1.59 -1.52 0.00 0.00 175.55 172.11 1jki s LYS 462 N -3.94 0.11 -0.38 -3.49 -2.85 0.62 -0.68 119.74 109.12 1jki s LYS 462 Ca 0.13 0.28 -0.29 0.00 -1.00 0.00 0.00 55.97 55.09 1jki s LYS 462 Cb 0.05 -0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1jki s LYS 462 CO -0.04 -0.10 1.49 0.15 0.10 0.00 0.00 175.35 176.94 1jki s LYS 463 N 0.70 3.56 0.32 1.78 1.02 -1.26 0.97 119.74 126.83 1jki s LYS 463 Ca -0.05 1.08 -0.01 0.00 0.02 0.00 0.00 55.97 57.00 1jki s LYS 463 Cb -0.07 -4.05 0.07 0.00 -0.52 0.00 0.00 37.83 33.25 1jki s LYS 463 CO -0.03 -1.58 0.44 0.28 -0.92 0.00 0.00 175.35 173.53 1jki n VAL 464 N 7.07 0.00 -4.11 3.17 0.31 -0.33 -4.95 118.33 119.48 1jki n VAL 464 Ca 0.18 -0.62 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 1jki n VAL 464 Cb 0.48 -1.28 -0.11 0.00 -0.91 0.00 0.00 33.84 32.01 1jki n VAL 464 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jki s ASP 465 N -2.76 0.98 0.00 4.52 2.15 -1.26 -4.51 116.67 115.79 1jki s ASP 465 Ca 0.28 -0.75 0.25 0.00 0.43 0.00 0.00 52.55 52.76 1jki s ASP 465 Cb -0.01 0.06 1.21 0.00 -0.30 0.00 0.00 42.92 43.88 1jki s ASP 465 CO 0.19 -0.32 1.82 -2.65 -0.17 0.00 0.00 175.17 174.03 1jki n PRO 466 N 0.79 1.37 -0.52 4.34 -0.02 -1.26 -4.06 135.00 135.63 1jki n PRO 466 Ca -0.18 -0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 60.74 1jki n PRO 466 Cb 0.57 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1jki n PRO 466 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jki n VAL 467 N -0.30 0.00 -1.16 -1.45 0.31 -1.26 -5.01 118.33 109.46 1jki n VAL 467 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1jki n VAL 467 Cb 0.22 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1jki n VAL 467 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1jki n LYS 468 N 0.00 0.00 0.00 5.55 2.85 -1.26 -5.15 118.16 120.15 1jki n LYS 468 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1jki n LYS 468 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1jki n LYS 468 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jki n GLU 469 N 0.00 0.00 0.00 -1.58 2.13 -1.26 -4.92 120.64 115.01 1jki n GLU 469 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jki n GLU 469 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 1jki n GLU 469 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1jki n ASP 470 N 0.00 0.00 0.00 4.31 8.00 -1.26 -4.86 116.55 122.74 1jki n ASP 470 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jki n ASP 470 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jki n ASP 470 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jki n ALA 471 N 0.00 0.00 -0.31 2.24 0.00 -1.26 -5.08 120.51 116.11 1jki n ALA 471 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jki n ALA 471 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jki n ALA 471 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jki n GLY 472 N 0.00 1.15 2.68 0.00 0.00 -1.26 -5.07 105.19 102.68 1jki n GLY 472 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 1jki n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jki n LYS 473 N 12.54 -4.01 -1.13 1.61 3.00 -1.26 -5.02 118.16 123.90 1jki n LYS 473 Ca 0.00 3.10 -0.33 0.00 -0.00 0.00 0.00 58.31 61.08 1jki n LYS 473 Cb 0.00 -5.08 0.13 0.00 0.00 0.00 0.00 35.03 30.07 1jki n LYS 473 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1jki s PHE 474 N -1.10 1.80 0.13 5.64 0.40 -1.26 -4.82 117.98 118.77 1jki s PHE 474 Ca -0.15 1.67 0.02 0.00 -0.60 0.00 0.00 56.93 57.87 1jki s PHE 474 Cb 0.01 -3.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1jki s PHE 474 CO 0.77 -2.87 -0.06 -2.00 0.70 0.00 0.00 175.22 171.76 1jki s GLU 475 N -4.12 0.96 0.39 0.44 2.12 0.14 -4.91 118.70 113.72 1jki s GLU 475 Ca 0.73 -1.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.48 1jki s GLU 475 Cb -0.29 -0.32 -0.10 0.00 0.26 0.00 0.00 34.13 33.68 1jki s GLU 475 CO 0.50 -0.02 0.85 -0.80 -0.54 0.00 0.00 175.26 175.26 1jki s ASN 476 N -3.11 6.82 0.42 -1.70 0.01 -1.26 -1.00 114.94 115.13 1jki s ASN 476 Ca 0.16 1.47 -0.20 0.00 -0.71 0.00 0.00 52.86 53.59 1jki s ASN 476 Cb 0.05 -2.45 -0.15 0.00 0.41 0.00 0.00 41.25 39.10 1jki s ASN 476 CO -0.01 -0.32 0.02 0.49 -1.51 0.00 0.00 177.10 175.76 1jki n PHE 477 N -0.65 -2.31 -1.65 2.20 0.99 -1.26 -4.82 117.46 109.95 1jki n PHE 477 Ca 0.05 0.55 -0.46 0.00 -0.00 0.00 0.00 57.45 57.60 1jki n PHE 477 Cb 0.54 -1.70 -0.03 0.00 -1.00 0.00 0.00 39.48 37.29 1jki n PHE 477 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1jki n TYR 478 N -1.15 1.98 -0.07 1.38 9.36 -1.26 -4.83 117.16 122.58 1jki n TYR 478 Ca 0.10 0.48 -0.02 0.00 3.32 0.00 0.00 57.90 61.78 1jki n TYR 478 Cb 0.41 -2.42 -0.02 0.00 -0.63 0.00 0.00 39.34 36.68 1jki n TYR 478 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1jki n PRO 479 N 2.04 -0.07 -1.48 2.98 -0.02 -1.26 -4.01 135.00 133.17 1jki n PRO 479 Ca 0.13 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.66 1jki n PRO 479 Cb 0.30 -0.75 -0.08 0.00 -0.02 0.00 0.00 33.50 32.95 1jki n PRO 479 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jki n VAL 480 N -3.22 0.07 -1.22 -1.45 0.31 -1.25 -3.48 118.33 108.09 1jki n VAL 480 Ca 0.00 -0.35 -0.36 0.00 -0.01 0.00 0.00 64.34 63.62 1jki n VAL 480 Cb 0.04 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.23 1jki n VAL 480 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1jki n LEU 481 N 11.65 6.51 0.14 7.52 4.77 -0.71 -4.73 117.00 142.16 1jki n LEU 481 Ca 0.45 -3.66 0.07 0.00 -0.03 0.00 0.00 56.01 52.84 1jki n LEU 481 Cb 0.27 -1.38 0.36 0.00 -2.33 0.00 0.00 43.42 40.35 1jki n LEU 481 CO 0.78 1.05 0.77 0.35 -1.33 0.00 0.00 177.39 179.01 1jki n THR 482 N 4.49 0.80 0.39 -5.08 -2.24 -1.26 -0.30 114.28 111.09 1jki n THR 482 Ca 0.58 0.71 0.09 0.00 -2.27 0.00 0.00 64.05 63.16 1jki n THR 482 Cb 0.27 -1.71 0.37 0.00 -2.10 0.00 0.00 70.33 67.16 1jki n THR 482 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jki n PHE 483 N -2.00 0.36 -1.80 4.78 0.99 -1.26 -2.77 117.46 115.75 1jki n PHE 483 Ca -0.01 0.15 -0.34 0.00 -0.00 0.00 0.00 57.45 57.25 1jki n PHE 483 Cb 0.24 -0.74 0.05 0.00 -1.00 0.00 0.00 39.48 38.02 1jki n PHE 483 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1jki n LEU 484 N -1.84 6.84 -0.01 4.37 7.99 0.59 -4.45 117.00 130.49 1jki n LEU 484 Ca 0.02 -4.68 0.10 0.00 -0.01 0.00 0.00 56.01 51.44 1jki n LEU 484 Cb 0.17 -0.85 -0.15 0.00 -0.11 0.00 0.00 43.42 42.48 1jki n LEU 484 CO 0.14 1.77 -0.56 -1.20 -1.51 0.00 0.00 177.39 176.04 1jki n SER 485 N -0.69 0.43 0.28 -1.43 7.64 -1.12 -3.73 113.62 115.01 1jki n SER 485 Ca 0.54 -0.26 0.17 0.00 1.01 0.00 0.00 58.87 60.32 1jki n SER 485 Cb 0.55 1.70 0.93 0.00 -1.01 0.00 0.00 64.21 66.38 1jki n SER 485 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1jki h TYR 486 N 0.00 0.00 0.00 1.43 3.20 -1.85 -2.99 116.97 116.76 1jki h TYR 486 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jki h TYR 486 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1jki h TYR 486 CO 0.00 0.00 -0.56 0.91 -1.64 0.00 0.00 178.16 176.87 1jki n TRP 487 N -3.72 0.00 -4.39 -3.82 8.01 -1.26 -4.94 117.44 107.32 1jki n TRP 487 Ca -0.02 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.86 1jki n TRP 487 Cb 0.14 -0.04 -0.10 0.00 -2.01 0.00 0.00 31.31 29.30 1jki n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1jki s LEU 488 N -2.60 3.08 0.09 -0.99 1.02 -1.13 0.67 118.68 118.82 1jki s LEU 488 Ca 0.01 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 53.92 1jki s LEU 488 Cb 0.05 -1.81 -0.25 0.00 0.02 0.00 0.00 46.19 44.20 1jki s LEU 488 CO 0.27 0.24 1.18 0.50 0.02 0.00 0.00 176.35 178.56 1jki h LYS 489 N 4.17 0.13 -2.28 1.70 3.64 0.06 -3.38 116.57 120.62 1jki h LYS 489 Ca -0.48 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.08 1jki h LYS 489 Cb 1.17 0.08 -0.42 0.00 -0.41 0.00 0.00 32.23 32.65 1jki h LYS 489 CO 0.53 1.09 -0.59 0.00 -2.27 0.00 0.00 179.45 178.20 1jki n ALA 490 N -2.45 4.65 -1.21 5.00 0.00 0.43 -4.59 120.51 122.34 1jki n ALA 490 Ca -0.05 -4.72 -0.46 0.00 0.00 0.00 0.00 53.44 48.22 1jki n ALA 490 Cb 0.99 -0.79 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 1jki n ALA 490 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jki n PRO 491 N -0.11 0.00 -0.65 0.00 -0.02 -1.26 -4.38 135.00 128.58 1jki n PRO 491 Ca 0.31 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 1jki n PRO 491 Cb 0.39 -1.33 0.18 0.00 -0.02 0.00 0.00 33.50 32.72 1jki n PRO 491 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jki n LEU 492 N 7.86 2.08 0.00 2.45 -0.00 -0.78 -4.85 117.00 123.76 1jki n LEU 492 Ca 0.53 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 1jki n LEU 492 Cb -0.01 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.01 1jki n LEU 492 CO 0.81 -2.52 0.00 0.35 -0.00 0.00 0.00 177.39 176.03 1jki n THR 493 N -4.33 0.00 -3.92 1.96 -2.24 -1.26 -4.72 114.28 99.77 1jki n THR 493 Ca 0.10 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1jki n THR 493 Cb 0.53 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 1jki n THR 493 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jki s ARG 494 N 2.75 0.23 0.41 -0.78 3.52 -1.26 -4.85 118.95 118.96 1jki s ARG 494 Ca 0.00 0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.54 1jki s ARG 494 Cb 0.00 -0.39 -0.10 0.00 -1.56 0.00 0.00 34.95 32.89 1jki s ARG 494 CO 0.00 -0.11 -0.17 -2.30 -0.81 0.00 0.00 175.30 171.91 1jki n PRO 495 N 3.95 0.00 -0.16 5.12 -0.02 -1.26 -2.39 135.00 140.25 1jki n PRO 495 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1jki n PRO 495 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 1jki n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jki n GLY 496 N 1.83 0.00 3.80 -1.23 0.00 -1.26 -4.92 105.19 103.41 1jki n GLY 496 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1jki n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jki s PHE 497 N -0.71 3.77 0.07 1.61 0.08 -1.00 -5.04 117.98 116.75 1jki s PHE 497 Ca 0.00 1.22 -0.28 0.00 0.12 0.00 0.00 56.93 57.99 1jki s PHE 497 Cb 0.00 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 1jki s PHE 497 CO 0.00 0.53 0.90 -1.01 -0.10 0.00 0.00 175.22 175.55 1jki s HIS 498 N -0.87 3.76 -1.21 0.36 3.76 -1.26 -4.80 115.29 115.02 1jki s HIS 498 Ca 0.29 1.68 -0.20 0.00 -0.15 0.00 0.00 55.06 56.67 1jki s HIS 498 Cb -0.19 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.49 1jki s HIS 498 CO 0.18 0.19 1.88 -0.35 -0.85 0.00 0.00 174.74 175.78 1jki n PRO 499 N 3.01 2.30 -2.81 8.40 -0.04 -1.26 -4.94 135.00 139.66 1jki n PRO 499 Ca 0.01 -2.75 -0.41 0.00 -0.04 0.00 0.00 63.50 60.32 1jki n PRO 499 Cb 0.50 -3.54 -0.04 0.00 -0.04 0.00 0.00 33.50 30.37 1jki n PRO 499 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jki s VAL 500 N 7.36 4.67 0.00 0.52 1.01 -1.26 -4.92 120.40 127.78 1jki s VAL 500 Ca 0.60 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.50 1jki s VAL 500 Cb 0.03 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1jki s VAL 500 CO 0.10 0.29 0.00 0.59 0.00 0.00 0.00 175.10 176.08 1jki n ASN 501 N 3.09 0.57 0.00 3.32 5.03 -1.26 -5.01 115.26 121.00 1jki n ASN 501 Ca 0.02 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1jki n ASN 501 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1jki n ASN 501 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jki n GLY 502 N 5.00 0.80 0.41 7.41 0.00 -1.26 -4.84 105.19 112.71 1jki n GLY 502 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1jki n GLY 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jki h LEU 503 N 0.00 -1.56 -0.54 0.99 5.85 -1.91 0.11 115.31 118.24 1jki h LEU 503 Ca 0.00 0.23 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1jki h LEU 503 Cb 0.00 0.68 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 1jki h LEU 503 CO 0.00 -0.36 -0.40 0.78 -0.34 0.00 0.00 178.44 178.11 1jki h ASN 504 N -0.31 -1.37 -0.79 1.25 -0.26 -1.97 0.72 115.58 112.86 1jki h ASN 504 Ca 0.14 0.23 0.03 0.00 -0.56 0.00 0.00 56.30 56.14 1jki h ASN 504 Cb 0.58 0.63 -0.04 0.00 -1.06 0.00 0.00 38.32 38.43 1jki h ASN 504 CO -0.62 -0.33 0.52 0.11 -1.06 0.00 0.00 177.43 176.04 1jki h LYS 505 N -0.23 0.97 -0.16 0.81 1.57 -1.88 0.27 116.57 117.92 1jki h LYS 505 Ca 0.19 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1jki h LYS 505 Cb 0.56 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1jki h LYS 505 CO -0.66 0.64 -0.17 1.96 -0.57 0.00 0.00 179.45 180.65 1jki h GLN 506 N 0.99 0.26 0.00 3.15 4.20 0.28 -1.95 115.11 122.05 1jki h GLN 506 Ca 0.31 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.76 1jki h GLN 506 Cb -0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1jki h GLN 506 CO -0.08 0.44 -0.90 -0.09 -0.67 0.00 0.00 178.83 177.52 1jki h ARG 507 N 0.24 0.00 -0.46 1.46 2.43 0.32 -3.25 114.38 115.12 1jki h ARG 507 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1jki h ARG 507 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1jki h ARG 507 CO 0.03 0.90 0.28 1.15 -1.51 0.00 0.00 179.97 180.82 1jki h THR 508 N 0.00 1.14 -0.46 0.20 2.02 -0.70 -2.49 112.91 112.62 1jki h THR 508 Ca -0.01 -0.29 0.09 0.00 0.77 0.00 0.00 66.41 66.97 1jki h THR 508 Cb 1.69 0.51 -0.10 0.00 -1.74 0.00 0.00 68.15 68.51 1jki h THR 508 CO 0.12 0.14 -0.27 0.00 0.37 0.00 0.00 175.52 175.87 1jki h ALA 509 N 1.14 -0.01 -0.24 6.16 0.00 -1.39 -0.19 119.26 124.72 1jki h ALA 509 Ca 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1jki h ALA 509 Cb -0.03 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jki h ALA 509 CO -0.03 -0.64 0.10 -0.07 0.00 0.00 0.00 179.25 178.61 1jki h LEU 510 N -0.18 0.33 -0.30 0.00 -0.00 -1.56 -1.23 115.31 112.37 1jki h LEU 510 Ca 0.21 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 1jki h LEU 510 Cb 0.51 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1jki h LEU 510 CO -0.56 0.39 0.10 -0.08 -0.00 0.00 0.00 178.44 178.29 1jki h GLU 511 N 0.25 0.23 -0.22 1.13 4.81 -1.07 0.39 114.58 120.09 1jki h GLU 511 Ca 0.08 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1jki h GLU 511 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jki h GLU 511 CO -0.01 0.15 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.19 1jki h ASN 512 N 0.23 0.46 -0.02 1.04 2.35 -0.88 -0.40 115.58 118.36 1jki h ASN 512 Ca 0.13 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1jki h ASN 512 Cb 0.11 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1jki h ASN 512 CO -0.14 0.76 -0.01 0.15 -1.65 0.00 0.00 177.43 176.53 1jki h PHE 513 N 0.39 0.05 -0.58 1.19 3.04 -1.00 -0.94 116.94 119.08 1jki h PHE 513 Ca 0.05 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.08 1jki h PHE 513 Cb 0.75 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.18 1jki h PHE 513 CO 0.02 0.47 0.20 -0.07 -2.02 0.00 0.00 178.31 176.91 1jki h LEU 514 N -0.39 0.17 -0.46 0.59 4.07 -0.74 -2.35 115.31 116.20 1jki h LEU 514 Ca 0.00 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1jki h LEU 514 Cb 0.46 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 1jki h LEU 514 CO 0.00 0.11 0.26 0.03 -1.08 0.00 0.00 178.44 177.76 1jki h ARG 515 N 0.36 0.50 0.16 1.13 3.08 -0.88 -3.06 114.38 115.68 1jki h ARG 515 Ca 0.29 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1jki h ARG 515 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1jki h ARG 515 CO -0.31 0.33 -0.08 1.37 -1.07 0.00 0.00 179.97 180.21 1jki h LEU 516 N 0.51 -0.19 -1.71 3.04 8.10 -0.74 0.11 115.31 124.44 1jki h LEU 516 Ca 0.19 -0.14 0.48 0.00 0.11 0.00 0.00 57.88 58.52 1jki h LEU 516 Cb 0.04 0.05 -0.10 0.00 -0.44 0.00 0.00 40.66 40.21 1jki h LEU 516 CO -0.10 0.03 1.07 -0.07 -4.11 0.00 0.00 178.44 175.26 1jki h LEU 517 N -0.40 0.12 -3.62 0.17 4.07 -1.41 4.14 115.31 118.38 1jki h LEU 517 Ca -0.02 0.07 -0.30 0.00 0.08 0.00 0.00 57.88 57.71 1jki h LEU 517 Cb 0.31 0.06 -0.18 0.00 1.08 0.00 0.00 40.66 41.94 1jki h LEU 517 CO 0.04 -0.09 0.22 2.30 -1.08 0.00 0.00 178.44 179.83 1jki n ILE 518 N -4.34 2.81 -3.56 1.22 -5.35 -0.89 -4.84 119.36 104.42 1jki n ILE 518 Ca 0.39 -2.30 -0.19 0.00 -0.27 0.00 0.00 62.75 60.37 1jki n ILE 518 Cb 1.64 -0.37 0.06 0.00 -1.74 0.00 0.00 39.64 39.22 1jki n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jki n GLY 519 N -1.01 -0.39 3.03 3.28 0.00 1.36 -4.82 105.19 106.64 1jki n GLY 519 Ca 0.43 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 1jki n GLY 519 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jki s LEU 520 N -6.46 1.63 0.86 0.99 2.96 0.34 -4.91 118.68 114.10 1jki s LEU 520 Ca 0.04 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 1jki s LEU 520 Cb -0.01 -0.92 0.11 0.00 0.50 0.00 0.00 46.19 45.87 1jki s LEU 520 CO 0.78 0.02 1.09 -2.16 -1.32 0.00 0.00 176.35 174.76 1jki s PRO 521 N 0.84 1.55 0.63 0.98 0.04 -1.26 -3.03 135.00 134.74 1jki s PRO 521 Ca -0.11 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 1jki s PRO 521 Cb -0.15 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1jki s PRO 521 CO 0.02 -2.05 1.22 -1.13 0.04 0.00 0.00 177.00 175.09 1jki n SER 522 N -3.76 1.79 -4.78 6.66 3.41 -1.26 -4.89 113.62 110.79 1jki n SER 522 Ca 0.07 0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 59.17 1jki n SER 522 Cb 0.55 -1.52 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 1jki n SER 522 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jki s GLN 523 N -3.19 3.25 0.00 4.33 -0.21 -1.26 -4.95 119.66 117.63 1jki s GLN 523 Ca 0.80 1.53 0.00 0.00 0.02 0.00 0.00 55.36 57.72 1jki s GLN 523 Cb -0.39 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1jki s GLN 523 CO 0.42 -0.92 0.00 0.27 -2.12 0.00 0.00 175.29 172.95 1jki n ASN 524 N -1.57 2.87 0.00 5.90 0.23 -1.26 -5.02 115.26 116.41 1jki n ASN 524 Ca 0.11 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1jki n ASN 524 Cb 0.51 0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 1jki n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jki n GLU 525 N -0.91 -0.76 -2.43 -3.83 -0.58 -1.26 -5.00 120.64 105.86 1jki n GLU 525 Ca 0.00 0.19 -0.40 0.00 -0.42 0.00 0.00 57.16 56.53 1jki n GLU 525 Cb 0.00 -3.90 -0.04 0.00 -0.57 0.00 0.00 31.44 26.93 1jki n GLU 525 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1jki s LEU 526 N 0.00 4.52 -0.66 -4.62 1.43 -1.26 -4.94 118.68 113.15 1jki s LEU 526 Ca 0.00 2.31 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 1jki s LEU 526 Cb 0.00 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.79 1jki s LEU 526 CO 0.00 -0.20 0.65 0.54 0.23 0.00 0.00 176.35 177.57 1jki n ARG 527 N 1.10 2.25 -0.17 1.70 1.74 -1.26 -4.83 116.66 117.18 1jki n ARG 527 Ca -0.01 -4.59 0.16 0.00 -0.77 0.00 0.00 57.85 52.64 1jki n ARG 527 Cb 0.45 -2.26 0.50 0.00 -1.02 0.00 0.00 32.46 30.13 1jki n ARG 527 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1jki h PHE 528 N 4.63 0.49 0.00 -1.55 0.05 -1.94 0.48 116.94 119.09 1jki h PHE 528 Ca 0.18 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.98 1jki h PHE 528 Cb 0.70 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.49 1jki h PHE 528 CO 0.70 0.18 0.00 1.05 -0.18 0.00 0.00 178.31 180.07 1jki h GLU 529 N 0.42 0.00 0.00 1.51 9.09 -1.88 -0.28 114.58 123.43 1jki h GLU 529 Ca 0.38 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.49 1jki h GLU 529 Cb 0.86 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.91 1jki h GLU 529 CO -0.12 0.00 -2.07 -1.91 0.05 0.00 0.00 179.01 174.96 1jki n GLU 530 N -2.92 0.45 0.01 1.06 2.13 0.14 -4.68 120.64 116.83 1jki n GLU 530 Ca -0.02 0.12 -0.11 0.00 0.66 0.00 0.00 57.16 57.81 1jki n GLU 530 Cb 0.09 -1.33 0.02 0.00 0.27 0.00 0.00 31.44 30.48 1jki n GLU 530 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jki h ARG 531 N -0.16 0.57 -5.92 5.31 3.08 -0.65 -3.43 114.38 113.18 1jki h ARG 531 Ca -0.43 -0.40 -0.62 0.00 0.07 0.00 0.00 59.98 58.59 1jki h ARG 531 Cb 1.60 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.66 1jki h ARG 531 CO -0.12 1.02 -0.30 -0.51 -1.07 0.00 0.00 179.97 178.99 1jki s LEU 532 N -8.26 4.42 0.00 3.04 1.02 -0.13 -5.03 118.68 113.74 1jki s LEU 532 Ca -0.07 0.76 0.01 0.00 0.02 0.00 0.00 54.13 54.85 1jki s LEU 532 Cb 0.11 -2.54 0.09 0.00 0.02 0.00 0.00 46.19 43.87 1jki s LEU 532 CO 0.85 0.31 0.58 0.18 0.02 0.00 0.00 176.35 178.30