#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6s n ASN 2 N 0.00 3.76 -4.35 5.98 6.94 -1.26 -5.01 115.26 121.32 3k6s n ASN 2 Ca 0.00 -3.52 -0.37 0.00 -0.02 0.00 0.00 54.58 50.67 3k6s n ASN 2 Cb 0.00 -0.54 -0.12 0.00 -2.36 0.00 0.00 39.78 36.75 3k6s n ASN 2 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3k6s s LEU 3 N -3.31 3.88 0.22 -4.53 1.43 -1.26 -1.64 118.68 113.47 3k6s s LEU 3 Ca 0.46 -0.69 -0.32 0.00 -1.03 0.00 0.00 54.13 52.54 3k6s s LEU 3 Cb 0.34 -1.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.53 3k6s s LEU 3 CO -0.13 -0.19 1.59 -0.67 0.23 0.00 0.00 176.35 177.17 3k6s n ASP 4 N 4.88 3.45 -2.36 2.29 2.03 -0.85 -4.91 116.55 121.07 3k6s n ASP 4 Ca -0.14 1.10 -0.15 0.00 0.52 0.00 0.00 54.79 56.12 3k6s n ASP 4 Cb 0.48 -1.51 0.03 0.00 -0.72 0.00 0.00 41.12 39.40 3k6s n ASP 4 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3k6s n THR 5 N 2.97 2.01 0.05 5.18 -1.04 -1.26 -4.73 114.28 117.46 3k6s n THR 5 Ca 0.14 -3.76 0.00 0.00 -2.04 0.00 0.00 64.05 58.39 3k6s n THR 5 Cb 0.33 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3k6s n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k6s n GLU 6 N -0.63 0.00 -3.33 -2.82 -0.58 -1.26 -5.03 120.64 106.99 3k6s n GLU 6 Ca 0.29 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.58 3k6s n GLU 6 Cb 0.88 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.75 3k6s n GLU 6 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k6s s GLU 7 N -1.25 4.08 0.38 3.49 0.41 -1.26 -5.00 118.70 119.55 3k6s s GLU 7 Ca 0.00 -3.06 0.04 0.00 -0.41 0.00 0.00 54.97 51.54 3k6s s GLU 7 Cb 0.00 -4.54 -0.04 0.00 -1.78 0.00 0.00 34.13 27.77 3k6s s GLU 7 CO 0.00 -1.26 0.08 -0.48 -0.49 0.00 0.00 175.26 173.11 3k6s s LEU 8 N -0.94 2.13 -0.01 1.80 0.05 -1.26 -4.91 118.68 115.55 3k6s s LEU 8 Ca 0.28 -1.53 -0.00 0.00 0.05 0.00 0.00 54.13 52.93 3k6s s LEU 8 Cb -0.10 -0.32 -0.04 0.00 -2.05 0.00 0.00 46.19 43.68 3k6s s LEU 8 CO -0.08 -0.76 0.07 0.42 -0.55 0.00 0.00 176.35 175.44 3k6s s THR 9 N -3.20 4.65 -0.07 5.48 -4.23 -1.24 -5.02 115.64 112.02 3k6s s THR 9 Ca 0.28 -0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 3k6s s THR 9 Cb 0.05 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.81 3k6s s THR 9 CO 0.14 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 3k6s s ALA 10 N -1.16 0.66 -0.42 3.99 0.00 -1.26 -2.34 121.76 121.22 3k6s s ALA 10 Ca 0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 3k6s s ALA 10 Cb -0.12 -0.70 0.08 0.00 0.00 0.00 0.00 23.12 22.38 3k6s s ALA 10 CO 0.13 -0.41 0.27 -0.06 0.00 0.00 0.00 175.76 175.69 3k6s s PHE 11 N 1.87 3.33 -0.92 0.00 0.08 -0.91 -4.96 117.98 116.47 3k6s s PHE 11 Ca 0.03 -1.47 -0.01 0.00 0.12 0.00 0.00 56.93 55.60 3k6s s PHE 11 Cb -0.12 -2.98 0.26 0.00 -0.57 0.00 0.00 43.02 39.61 3k6s s PHE 11 CO -0.05 -0.84 1.02 2.89 -0.10 0.00 0.00 175.22 178.14 3k6s n ARG 12 N 4.94 3.25 -3.12 0.44 1.85 -1.26 -1.34 116.66 121.43 3k6s n ARG 12 Ca -0.10 -4.55 -0.43 0.00 -1.00 0.00 0.00 57.85 51.77 3k6s n ARG 12 Cb 0.43 -2.42 -0.07 0.00 -1.05 0.00 0.00 32.46 29.35 3k6s n ARG 12 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k6s s VAL 13 N -2.05 4.83 -0.93 8.89 1.01 -1.20 -4.94 120.40 126.02 3k6s s VAL 13 Ca 0.32 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 3k6s s VAL 13 Cb 0.01 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.22 3k6s s VAL 13 CO -0.03 -0.62 1.38 -0.62 0.00 0.00 0.00 175.10 175.22 3k6s s ASP 14 N 2.06 6.40 -0.42 3.32 2.15 -1.26 -4.73 116.67 124.18 3k6s s ASP 14 Ca 0.22 -1.16 0.11 0.00 0.43 0.00 0.00 52.55 52.14 3k6s s ASP 14 Cb -0.15 -2.56 0.36 0.00 -0.30 0.00 0.00 42.92 40.28 3k6s s ASP 14 CO 0.18 -1.60 0.83 -1.20 -0.17 0.00 0.00 175.17 173.21 3k6s n SER 15 N 8.96 2.02 0.00 -0.34 7.64 -1.26 -5.06 113.62 125.58 3k6s n SER 15 Ca 0.23 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.93 3k6s n SER 15 Cb 0.50 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3k6s n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k6s n ALA 16 N 0.07 0.00 0.60 -0.43 0.00 -1.26 -2.93 120.51 116.56 3k6s n ALA 16 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 3k6s n ALA 16 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.08 3k6s n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6s n GLY 17 N 0.00 2.38 3.75 0.00 0.00 -1.26 -4.67 105.19 105.39 3k6s n GLY 17 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3k6s n GLY 17 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k6s s PHE 18 N -0.44 2.40 -1.32 1.61 2.19 -1.15 -3.44 117.98 117.83 3k6s s PHE 18 Ca 0.08 1.56 -0.04 0.00 0.33 0.00 0.00 56.93 58.86 3k6s s PHE 18 Cb 0.06 -3.33 0.02 0.00 -1.31 0.00 0.00 43.02 38.46 3k6s s PHE 18 CO 0.01 -2.06 0.96 0.41 1.83 0.00 0.00 175.22 176.37 3k6s n GLY 19 N -0.00 -0.40 0.02 13.12 0.00 -1.09 -2.61 105.19 114.23 3k6s n GLY 19 Ca 0.12 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.31 3k6s n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k6s n ASP 20 N -3.04 3.14 -3.68 1.61 2.03 -1.16 -2.47 116.55 112.97 3k6s n ASP 20 Ca -0.18 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.04 3k6s n ASP 20 Cb 0.63 1.10 -0.10 0.00 -0.72 0.00 0.00 41.12 42.03 3k6s n ASP 20 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3k6s s SER 21 N -3.33 -0.63 0.04 1.67 0.15 -1.25 -4.51 113.70 105.84 3k6s s SER 21 Ca -0.03 1.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.67 3k6s s SER 21 Cb 0.04 0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 65.26 3k6s s SER 21 CO 0.33 -0.20 -0.03 0.54 1.20 0.00 0.00 173.24 175.07 3k6s s VAL 22 N 1.41 0.20 0.02 4.45 0.11 -1.26 0.13 120.40 125.46 3k6s s VAL 22 Ca -0.09 -1.60 -0.18 0.00 -2.93 0.00 0.00 61.98 57.18 3k6s s VAL 22 Cb -0.07 -1.22 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 3k6s s VAL 22 CO -0.14 -0.88 0.39 0.54 -3.33 0.00 0.00 175.10 171.68 3k6s s VAL 23 N -3.33 0.06 -0.23 2.04 0.11 -0.68 -4.44 120.40 113.92 3k6s s VAL 23 Ca 0.02 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 3k6s s VAL 23 Cb 0.04 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3k6s s VAL 23 CO -0.08 -0.25 1.25 -1.10 -3.33 0.00 0.00 175.10 171.59 3k6s s GLN 24 N -2.06 4.09 0.61 1.54 -1.52 -1.26 -2.32 119.66 118.73 3k6s s GLN 24 Ca -0.08 1.43 -0.04 0.00 -1.95 0.00 0.00 55.36 54.73 3k6s s GLN 24 Cb -0.02 -3.80 0.13 0.00 -0.22 0.00 0.00 33.01 29.10 3k6s s GLN 24 CO 0.00 -0.88 0.83 0.98 -0.25 0.00 0.00 175.29 175.97 3k6s n TYR 25 N 7.02 -3.32 -1.32 0.91 9.36 -1.10 -4.67 117.16 124.04 3k6s n TYR 25 Ca 0.14 -1.21 -0.52 0.00 3.32 0.00 0.00 57.90 59.63 3k6s n TYR 25 Cb 0.46 -0.62 -0.07 0.00 -0.63 0.00 0.00 39.34 38.48 3k6s n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3k6s n ALA 26 N -3.14 -3.06 -0.40 2.98 0.00 -1.26 -4.54 120.51 111.10 3k6s n ALA 26 Ca -0.14 0.51 0.32 0.00 0.00 0.00 0.00 53.44 54.13 3k6s n ALA 26 Cb 0.44 -1.54 0.50 0.00 0.00 0.00 0.00 19.45 18.86 3k6s n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k6s n ASN 27 N 1.49 0.06 0.26 0.00 3.02 -1.26 -0.77 115.26 118.06 3k6s n ASN 27 Ca 0.18 0.76 0.17 0.00 -0.03 0.00 0.00 54.58 55.66 3k6s n ASN 27 Cb 0.06 -0.38 0.72 0.00 -0.61 0.00 0.00 39.78 39.57 3k6s n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3k6s h SER 28 N 0.00 0.00 -4.90 6.41 0.02 -1.84 -3.32 113.55 109.93 3k6s h SER 28 Ca 0.60 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.28 3k6s h SER 28 Cb 2.23 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 64.62 3k6s h SER 28 CO -0.13 0.00 -0.64 0.26 -1.14 0.00 0.00 176.83 175.18 3k6s s TRP 29 N -3.67 1.23 -0.05 3.45 0.52 0.05 -4.52 118.94 115.94 3k6s s TRP 29 Ca 0.01 -1.18 0.01 0.00 0.02 0.00 0.00 56.10 54.96 3k6s s TRP 29 Cb 0.09 -0.69 0.02 0.00 -1.15 0.00 0.00 33.47 31.75 3k6s s TRP 29 CO 0.50 -0.39 -0.07 0.54 0.02 0.00 0.00 176.95 177.55 3k6s s VAL 30 N -3.86 0.72 -0.19 4.03 0.11 -0.97 -2.70 120.40 117.53 3k6s s VAL 30 Ca 0.31 -0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 3k6s s VAL 30 Cb 0.07 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 3k6s s VAL 30 CO 0.08 0.27 0.07 -0.69 -3.33 0.00 0.00 175.10 171.49 3k6s s VAL 31 N 0.88 4.76 0.28 2.04 1.01 -0.98 -2.11 120.40 126.28 3k6s s VAL 31 Ca -0.11 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 61.91 3k6s s VAL 31 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3k6s s VAL 31 CO 0.01 0.44 0.09 0.68 0.00 0.00 0.00 175.10 176.32 3k6s s VAL 32 N 0.52 3.57 -0.02 2.92 -7.23 -0.90 -1.68 120.40 117.58 3k6s s VAL 32 Ca 0.03 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 3k6s s VAL 32 Cb -0.13 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 3k6s s VAL 32 CO 0.01 -0.31 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.40 3k6s s GLY 33 N -3.77 1.24 -0.45 2.32 0.00 0.12 -3.13 107.32 103.65 3k6s s GLY 33 Ca 0.34 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 44.02 3k6s s GLY 33 CO 0.22 -0.91 0.44 0.00 0.00 0.00 0.00 173.10 172.84 3k6s n ALA 34 N 2.42 2.86 -0.35 3.20 0.00 -1.15 -2.67 120.51 124.83 3k6s n ALA 34 Ca -0.16 -3.44 0.11 0.00 0.00 0.00 0.00 53.44 49.95 3k6s n ALA 34 Cb 0.51 -0.81 0.30 0.00 0.00 0.00 0.00 19.45 19.46 3k6s n ALA 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k6s h PRO 35 N 5.02 0.81 -1.07 0.00 0.11 -1.70 -2.14 132.00 133.04 3k6s h PRO 35 Ca 0.19 -0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.76 3k6s h PRO 35 Cb 0.87 -0.18 -0.25 0.00 0.11 0.00 0.00 31.00 31.54 3k6s h PRO 35 CO 0.46 0.54 0.64 1.04 -0.21 0.00 0.00 178.00 180.46 3k6s n GLN 36 N -4.69 2.21 -2.82 1.05 3.00 -1.26 -3.43 117.38 111.43 3k6s n GLN 36 Ca 0.21 -2.63 -0.44 0.00 -0.01 0.00 0.00 57.00 54.13 3k6s n GLN 36 Cb 0.49 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.70 3k6s n GLN 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3k6s n LYS 37 N -0.73 3.46 -1.46 -1.09 4.81 -0.81 -4.14 118.16 118.19 3k6s n LYS 37 Ca 0.52 -3.82 -0.57 0.00 -0.87 0.00 0.00 58.31 53.56 3k6s n LYS 37 Cb 1.12 -2.98 -0.08 0.00 0.02 0.00 0.00 35.03 33.11 3k6s n LYS 37 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3k6s n ILE 38 N 4.15 0.00 -3.71 3.15 5.41 -1.26 -3.98 119.36 123.12 3k6s n ILE 38 Ca 0.37 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.94 3k6s n ILE 38 Cb 0.41 -0.11 -0.17 0.00 -0.71 0.00 0.00 39.64 39.06 3k6s n ILE 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3k6s s THR 39 N 0.64 -0.11 0.00 1.39 -4.23 -1.20 -4.98 115.64 107.15 3k6s s THR 39 Ca 0.89 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 3k6s s THR 39 Cb -1.24 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 72.45 3k6s s THR 39 CO 0.59 0.14 0.00 0.00 -0.54 0.00 0.00 174.62 174.81 3k6s n ALA 40 N 4.85 0.00 -2.99 3.99 0.00 -1.26 -3.27 120.51 121.83 3k6s n ALA 40 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 3k6s n ALA 40 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3k6s n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6s s ALA 41 N -1.98 3.30 -1.06 0.00 0.00 -1.26 -4.53 121.76 116.23 3k6s s ALA 41 Ca 0.00 -2.04 -0.13 0.00 0.00 0.00 0.00 51.96 49.79 3k6s s ALA 41 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.49 3k6s s ALA 41 CO 0.00 -2.49 0.25 0.09 0.00 0.00 0.00 175.76 173.61 3k6s n ASN 42 N 6.85 -1.10 0.00 0.00 3.02 -1.26 -4.67 115.26 118.10 3k6s n ASN 42 Ca -0.07 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3k6s n ASN 42 Cb 0.44 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3k6s n ASN 42 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3k6s n GLN 43 N -3.92 0.15 -0.03 3.52 7.27 -1.20 -1.42 117.38 121.76 3k6s n GLN 43 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 3k6s n GLN 43 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 3k6s n GLN 43 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3k6s n THR 44 N 0.00 0.00 0.00 1.69 -2.24 -1.26 -3.46 114.28 109.01 3k6s n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k6s n THR 44 Cb 0.00 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 3k6s n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k6s n GLY 45 N 5.00 0.21 0.00 3.38 0.00 -1.22 -3.24 105.19 109.32 3k6s n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k6s n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6s n GLY 46 N 3.92 4.43 3.64 -0.02 0.00 -1.20 -4.48 105.19 111.48 3k6s n GLY 46 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 3k6s n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6s s LEU 47 N 0.00 3.05 -0.03 0.99 1.43 -1.26 -2.92 118.68 119.93 3k6s s LEU 47 Ca 0.00 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3k6s s LEU 47 Cb 0.00 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.78 3k6s s LEU 47 CO 0.00 -0.18 0.06 -0.31 0.23 0.00 0.00 176.35 176.15 3k6s s TYR 48 N -2.46 -0.01 -0.15 0.29 2.02 -1.18 -3.26 117.35 112.59 3k6s s TYR 48 Ca 0.34 0.23 -0.08 0.00 -0.37 0.00 0.00 57.07 57.20 3k6s s TYR 48 Cb -0.02 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 3k6s s TYR 48 CO 0.20 -0.12 0.11 1.14 -1.57 0.00 0.00 175.55 175.31 3k6s s GLN 49 N 1.22 3.73 -0.03 -0.62 -2.07 -1.05 -2.11 119.66 118.73 3k6s s GLN 49 Ca -0.08 -0.22 0.04 0.00 -1.82 0.00 0.00 55.36 53.29 3k6s s GLN 49 Cb -0.13 -3.23 -0.00 0.00 -1.09 0.00 0.00 33.01 28.55 3k6s s GLN 49 CO -0.04 0.53 -0.16 0.00 -1.32 0.00 0.00 175.29 174.31 3k6s s GLY 51 N -0.03 1.57 -0.02 0.00 0.00 -1.25 -2.29 107.32 105.30 3k6s s GLY 51 Ca -0.02 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.05 3k6s s GLY 51 CO 0.01 -1.50 0.94 -1.82 0.00 0.00 0.00 173.10 170.73 3k6s h TYR 52 N 1.92 0.71 -0.62 1.90 3.20 -1.88 -3.37 116.97 118.83 3k6s h TYR 52 Ca -0.47 -0.52 0.06 0.00 3.14 0.00 0.00 58.73 60.94 3k6s h TYR 52 Cb 1.23 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 3k6s h TYR 52 CO 0.61 1.40 -0.37 0.43 -1.64 0.00 0.00 178.16 178.60 3k6s n SER 53 N -3.98 -0.66 -4.43 -2.11 7.64 -1.26 -3.99 113.62 104.83 3k6s n SER 53 Ca -0.15 1.36 -0.34 0.00 1.01 0.00 0.00 58.87 60.75 3k6s n SER 53 Cb 0.93 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.73 3k6s n SER 53 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k6s s THR 54 N -4.73 3.59 -1.19 0.44 -4.23 -1.26 -5.03 115.64 103.22 3k6s s THR 54 Ca -0.07 -0.46 -0.22 0.00 -1.18 0.00 0.00 61.69 59.76 3k6s s THR 54 Cb 0.07 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.27 3k6s s THR 54 CO 0.39 0.48 1.91 0.61 -0.54 0.00 0.00 174.62 177.47 3k6s n GLY 55 N 3.79 1.32 3.53 3.99 0.00 -1.26 -4.49 105.19 112.07 3k6s n GLY 55 Ca -0.18 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3k6s n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s s ALA 56 N 9.81 -1.81 -0.16 4.61 0.00 -1.26 -5.03 121.76 127.93 3k6s s ALA 56 Ca 0.66 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.94 3k6s s ALA 56 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3k6s s ALA 56 CO 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 175.76 175.40 3k6s s GLU 58 N 0.70 3.81 0.74 0.00 0.41 -0.81 -4.97 118.70 118.58 3k6s s GLU 58 Ca -0.05 -0.23 -0.16 0.00 -0.41 0.00 0.00 54.97 54.12 3k6s s GLU 58 Cb -0.15 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 3k6s s GLU 58 CO 0.02 0.48 0.88 -2.30 -0.49 0.00 0.00 175.26 173.85 3k6s n PRO 59 N 2.92 0.41 -4.61 0.39 -0.02 -1.26 -2.54 135.00 130.29 3k6s n PRO 59 Ca -0.18 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 3k6s n PRO 59 Cb 0.53 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 3k6s n PRO 59 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3k6s s ILE 60 N -1.88 3.47 0.23 4.25 2.07 -1.20 -4.80 121.20 123.33 3k6s s ILE 60 Ca 0.71 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 59.13 3k6s s ILE 60 Cb -0.34 -2.48 -0.10 0.00 0.13 0.00 0.00 42.46 39.68 3k6s s ILE 60 CO 0.52 0.52 1.42 -0.83 -1.91 0.00 0.00 174.94 174.66 3k6s s GLY 61 N 0.23 2.27 -0.11 1.50 0.00 -1.26 -4.79 107.32 105.16 3k6s s GLY 61 Ca -0.06 1.28 -0.10 0.00 0.00 0.00 0.00 44.72 45.84 3k6s s GLY 61 CO 0.04 2.27 0.29 1.08 0.00 0.00 0.00 173.10 176.78 3k6s s LEU 62 N -0.13 0.82 -1.15 0.66 1.43 -1.26 -5.08 118.68 113.97 3k6s s LEU 62 Ca 0.60 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.19 3k6s s LEU 62 Cb -0.41 0.98 0.25 0.00 0.03 0.00 0.00 46.19 47.04 3k6s s LEU 62 CO 0.41 -0.11 1.31 0.00 0.23 0.00 0.00 176.35 178.18 3k6s n GLN 63 N 3.08 3.62 -2.21 1.70 3.00 -1.26 -5.01 117.38 120.30 3k6s n GLN 63 Ca -0.14 -4.24 -0.43 0.00 -0.01 0.00 0.00 57.00 52.18 3k6s n GLN 63 Cb 0.57 -2.71 -0.02 0.00 0.00 0.00 0.00 30.24 28.08 3k6s n GLN 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3k6s s VAL 64 N -0.56 3.74 0.41 5.09 1.01 -1.26 -4.97 120.40 123.86 3k6s s VAL 64 Ca 0.35 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 3k6s s VAL 64 Cb -0.05 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3k6s s VAL 64 CO -0.03 -0.60 1.35 -2.84 0.00 0.00 0.00 175.10 172.98 3k6s s PRO 65 N 5.16 3.93 0.59 2.72 0.02 -1.26 -4.88 135.00 141.28 3k6s s PRO 65 Ca 0.68 2.26 0.29 0.00 0.02 0.00 0.00 61.00 64.25 3k6s s PRO 65 Cb -0.18 -2.77 1.63 0.00 0.02 0.00 0.00 34.50 33.21 3k6s s PRO 65 CO 0.33 -0.56 2.06 -1.35 -0.33 0.00 0.00 177.00 177.15 3k6s h PRO 66 N 2.66 0.00 0.31 5.54 0.11 -2.05 -2.54 132.00 136.02 3k6s h PRO 66 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3k6s h PRO 66 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k6s h PRO 66 CO 0.62 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 179.16 3k6s h GLU 67 N 0.00 -0.46 -6.32 1.05 4.39 -1.98 -3.40 114.58 107.86 3k6s h GLU 67 Ca 0.11 0.03 -0.57 0.00 0.34 0.00 0.00 59.36 59.27 3k6s h GLU 67 Cb 0.61 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 3k6s h GLU 67 CO -0.00 -0.30 1.11 0.00 -1.16 0.00 0.00 179.01 178.66 3k6s s ALA 68 N -6.11 3.21 0.16 3.43 0.00 -0.96 -4.78 121.76 116.71 3k6s s ALA 68 Ca -0.15 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.22 3k6s s ALA 68 Cb 0.05 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3k6s s ALA 68 CO 0.64 -2.06 -0.25 0.08 0.00 0.00 0.00 175.76 174.17 3k6s s VAL 69 N 5.30 2.30 -1.22 0.00 1.01 -1.26 -4.74 120.40 121.79 3k6s s VAL 69 Ca 0.69 -1.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 3k6s s VAL 69 Cb -0.22 -2.06 0.13 0.00 0.00 0.00 0.00 36.38 34.24 3k6s s VAL 69 CO 0.29 -0.01 0.32 -3.20 0.00 0.00 0.00 175.10 172.50 3k6s n ASN 70 N 0.60 -0.87 0.08 3.32 5.15 -0.51 -1.22 115.26 121.82 3k6s n ASN 70 Ca -0.15 -0.84 0.12 0.00 -0.60 0.00 0.00 54.58 53.11 3k6s n ASN 70 Cb 0.54 -1.07 0.22 0.00 -0.53 0.00 0.00 39.78 38.94 3k6s n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k6s h MET 71 N -0.64 0.00 -6.49 1.20 -0.00 -1.62 -3.38 114.93 103.99 3k6s h MET 71 Ca -0.41 0.00 -0.42 0.00 -0.00 0.00 0.00 59.70 58.87 3k6s h MET 71 Cb 0.93 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.54 3k6s h MET 71 CO 0.58 0.00 -1.12 0.43 -0.00 0.00 0.00 176.91 176.80 3k6s n SER 72 N -2.22 -4.87 -4.77 -0.10 7.64 -1.24 -3.42 113.62 104.65 3k6s n SER 72 Ca 0.04 -0.51 -0.30 0.00 1.01 0.00 0.00 58.87 59.11 3k6s n SER 72 Cb 0.45 -1.50 0.11 0.00 -1.01 0.00 0.00 64.21 62.26 3k6s n SER 72 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3k6s s LEU 73 N -3.46 2.42 0.00 -3.43 0.05 -1.26 -3.89 118.68 109.12 3k6s s LEU 73 Ca 0.20 1.36 0.00 0.00 0.05 0.00 0.00 54.13 55.74 3k6s s LEU 73 Cb -0.02 -3.88 0.00 0.00 -2.05 0.00 0.00 46.19 40.24 3k6s s LEU 73 CO 0.84 -2.29 0.00 0.61 -0.55 0.00 0.00 176.35 174.97 3k6s n GLY 74 N -1.70 3.34 0.35 -3.48 0.00 -0.40 -3.04 105.19 100.28 3k6s n GLY 74 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3k6s n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k6s h LEU 75 N 0.00 0.86 -8.47 0.99 5.85 -1.67 -3.39 115.31 109.48 3k6s h LEU 75 Ca 0.00 0.06 -0.67 0.00 0.84 0.00 0.00 57.88 58.11 3k6s h LEU 75 Cb 0.00 -0.11 -0.30 0.00 0.37 0.00 0.00 40.66 40.62 3k6s h LEU 75 CO 0.00 0.43 -0.82 -0.55 -0.34 0.00 0.00 178.44 177.15 3k6s s SER 76 N -5.61 3.54 0.18 1.25 0.15 -1.26 -4.82 113.70 107.13 3k6s s SER 76 Ca -0.12 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.13 3k6s s SER 76 Cb 0.23 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 3k6s s SER 76 CO 0.80 0.16 -0.08 -0.76 1.20 0.00 0.00 173.24 174.56 3k6s s LEU 77 N 0.37 2.44 -0.28 3.45 1.43 -1.26 -2.13 118.68 122.70 3k6s s LEU 77 Ca -0.15 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.63 3k6s s LEU 77 Cb -0.17 -0.38 0.15 0.00 0.03 0.00 0.00 46.19 45.83 3k6s s LEU 77 CO 0.07 -0.36 1.22 0.00 0.23 0.00 0.00 176.35 177.51 3k6s s ALA 78 N -3.30 -2.09 0.02 4.21 0.00 -0.67 -4.55 121.76 115.38 3k6s s ALA 78 Ca 0.21 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.95 3k6s s ALA 78 Cb 0.03 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3k6s s ALA 78 CO 0.04 -0.18 -0.03 0.45 0.00 0.00 0.00 175.76 176.03 3k6s s SER 79 N 0.03 0.34 0.40 0.00 0.15 -1.26 -0.66 113.70 112.70 3k6s s SER 79 Ca 0.05 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.43 3k6s s SER 79 Cb -0.05 0.04 -0.07 0.00 -1.71 0.00 0.00 66.02 64.24 3k6s s SER 79 CO -0.10 -0.17 0.05 0.28 1.20 0.00 0.00 173.24 174.50 3k6s s THR 80 N -0.94 2.19 -0.00 6.45 -1.32 -0.89 -4.84 115.64 116.29 3k6s s THR 80 Ca -0.09 -1.92 0.01 0.00 -1.21 0.00 0.00 61.69 58.47 3k6s s THR 80 Cb -0.07 -2.94 -0.01 0.00 -1.51 0.00 0.00 72.50 67.97 3k6s s THR 80 CO -0.00 -0.04 0.00 0.35 -2.21 0.00 0.00 174.62 172.72 3k6s n THR 81 N -1.03 0.03 0.00 5.08 -2.24 -1.26 -3.33 114.28 111.53 3k6s n THR 81 Ca -0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3k6s n THR 81 Cb 0.65 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3k6s n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k6s n SER 82 N -1.93 0.00 -4.80 3.42 7.64 -1.26 -3.25 113.62 113.45 3k6s n SER 82 Ca -0.01 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 3k6s n SER 82 Cb 0.42 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 3k6s n SER 82 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k6s s PRO 83 N 0.00 4.34 -0.00 1.43 0.02 -1.26 -5.05 135.00 134.48 3k6s s PRO 83 Ca 0.00 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 61.62 3k6s s PRO 83 Cb 0.00 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 3k6s s PRO 83 CO 0.00 0.60 1.99 -1.54 -0.33 0.00 0.00 177.00 177.71 3k6s s SER 84 N -1.18 6.32 0.10 2.53 1.04 -1.20 -4.82 113.70 116.50 3k6s s SER 84 Ca 0.33 2.55 -0.03 0.00 0.48 0.00 0.00 55.95 59.27 3k6s s SER 84 Cb -0.21 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3k6s s SER 84 CO 0.22 -1.17 0.08 -1.10 0.98 0.00 0.00 173.24 172.25 3k6s s GLN 85 N 4.70 0.83 0.16 4.02 -0.21 -1.21 -4.55 119.66 123.40 3k6s s GLN 85 Ca 0.89 -1.24 0.04 0.00 0.02 0.00 0.00 55.36 55.08 3k6s s GLN 85 Cb -0.41 0.27 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 3k6s s GLN 85 CO 0.40 -0.23 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.09 3k6s s LEU 86 N -2.96 2.45 -0.14 2.90 0.20 -1.25 -2.09 118.68 117.79 3k6s s LEU 86 Ca 0.14 -1.06 -0.05 0.00 0.69 0.00 0.00 54.13 53.84 3k6s s LEU 86 Cb 0.07 -0.31 0.07 0.00 -0.43 0.00 0.00 46.19 45.58 3k6s s LEU 86 CO -0.05 -0.38 0.29 -0.22 -0.29 0.00 0.00 176.35 175.70 3k6s s LEU 87 N -3.19 -0.26 0.33 -0.68 2.96 0.16 -2.66 118.68 115.34 3k6s s LEU 87 Ca 0.19 0.66 0.10 0.00 -0.22 0.00 0.00 54.13 54.86 3k6s s LEU 87 Cb 0.03 0.84 -0.06 0.00 0.50 0.00 0.00 46.19 47.50 3k6s s LEU 87 CO 0.02 -0.23 -0.10 0.00 -1.32 0.00 0.00 176.35 174.73 3k6s s ALA 88 N 2.26 2.96 -0.09 5.97 0.00 -1.05 -1.68 121.76 130.14 3k6s s ALA 88 Ca -0.01 -2.02 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 3k6s s ALA 88 Cb -0.12 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3k6s s ALA 88 CO -0.09 0.12 0.28 0.00 0.00 0.00 0.00 175.76 176.07 3k6s s GLY 90 N -0.16 2.75 0.00 0.00 0.00 0.05 -1.27 107.32 108.69 3k6s s GLY 90 Ca -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 44.72 41.22 3k6s s GLY 90 CO 0.01 1.19 0.69 -1.05 0.00 0.00 0.00 173.10 173.94 3k6s n PRO 91 N 3.28 0.73 -1.48 2.90 -0.02 -1.23 -2.07 135.00 137.12 3k6s n PRO 91 Ca 0.14 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3k6s n PRO 91 Cb 0.40 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3k6s n PRO 91 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k6s n THR 92 N 0.59 0.07 -1.72 3.45 -2.24 -1.22 -4.68 114.28 108.53 3k6s n THR 92 Ca 0.00 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 3k6s n THR 92 Cb 0.35 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3k6s n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k6s n VAL 93 N 0.27 2.08 -4.08 2.28 0.31 -1.22 -3.55 118.33 114.42 3k6s n VAL 93 Ca -0.03 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.47 3k6s n VAL 93 Cb 1.01 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 32.12 3k6s n VAL 93 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3k6s s HIS 94 N -1.11 3.04 -0.16 3.52 3.76 -0.36 -2.88 115.29 121.10 3k6s s HIS 94 Ca 0.56 -1.98 0.01 0.00 -0.15 0.00 0.00 55.06 53.49 3k6s s HIS 94 Cb -0.54 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.22 3k6s s HIS 94 CO 0.62 -0.84 -0.18 -3.38 -0.85 0.00 0.00 174.74 170.12 3k6s s HIS 95 N 1.20 2.76 -0.53 1.40 -3.43 -1.22 -4.11 115.29 111.35 3k6s s HIS 95 Ca -0.02 -1.27 -0.27 0.00 -0.80 0.00 0.00 55.06 52.69 3k6s s HIS 95 Cb -0.17 -1.89 0.03 0.00 -1.43 0.00 0.00 32.58 29.12 3k6s s HIS 95 CO -0.08 -0.60 1.11 -1.83 -2.00 0.00 0.00 174.74 171.33 3k6s s GLU 96 N 0.98 3.54 -0.17 -0.38 -1.05 -1.26 -3.25 118.70 117.11 3k6s s GLU 96 Ca -0.02 0.25 0.12 0.00 -0.15 0.00 0.00 54.97 55.16 3k6s s GLU 96 Cb -0.15 -3.98 0.66 0.00 -0.44 0.00 0.00 34.13 30.22 3k6s s GLU 96 CO -0.04 -1.52 1.51 0.00 0.95 0.00 0.00 175.26 176.16 3k6s n GLY 98 N 0.63 1.00 0.31 0.00 0.00 -1.26 -4.60 105.19 101.27 3k6s n GLY 98 Ca 0.22 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 3k6s n GLY 98 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k6s h ARG 99 N 0.00 -0.06 -2.83 1.61 0.11 -2.01 -3.41 114.38 107.78 3k6s h ARG 99 Ca 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.95 3k6s h ARG 99 Cb 0.00 0.01 -0.25 0.00 1.11 0.00 0.00 29.97 30.84 3k6s h ARG 99 CO 0.00 -0.04 -0.31 0.54 0.10 0.00 0.00 179.97 180.26 3k6s s ASN 100 N -5.22 -0.40 0.69 0.08 2.20 -1.26 -5.17 114.94 105.86 3k6s s ASN 100 Ca -0.14 0.74 -0.04 0.00 -0.94 0.00 0.00 52.86 52.48 3k6s s ASN 100 Cb 0.19 0.71 0.08 0.00 -2.00 0.00 0.00 41.25 40.23 3k6s s ASN 100 CO 0.72 -0.14 0.97 0.00 -2.94 0.00 0.00 177.10 175.71 3k6s s MET 101 N 0.54 2.08 0.00 3.55 0.23 -1.26 -3.96 119.30 120.48 3k6s s MET 101 Ca -0.03 -0.56 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 3k6s s MET 101 Cb -0.04 -2.26 0.00 0.00 -1.53 0.00 0.00 34.83 31.00 3k6s s MET 101 CO -0.03 -1.23 0.00 0.66 -2.03 0.00 0.00 175.02 172.39 3k6s n TYR 102 N -2.82 -0.03 -3.89 3.16 4.01 -1.20 -4.97 117.16 111.41 3k6s n TYR 102 Ca 0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.57 3k6s n TYR 102 Cb 0.60 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.46 3k6s n TYR 102 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k6s s LEU 103 N 0.00 1.13 -0.13 7.72 1.43 -0.54 -3.45 118.68 124.83 3k6s s LEU 103 Ca 0.00 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3k6s s LEU 103 Cb 0.00 -0.80 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 3k6s s LEU 103 CO 0.00 -0.13 -0.14 1.07 0.23 0.00 0.00 176.35 177.38 3k6s n THR 104 N 4.96 0.73 0.00 5.49 5.66 -1.14 -1.97 114.28 128.01 3k6s n THR 104 Ca -0.12 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 3k6s n THR 104 Cb 0.50 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 3k6s n THR 104 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k6s n GLY 105 N 2.60 0.23 3.21 1.09 0.00 -1.25 -1.24 105.19 109.83 3k6s n GLY 105 Ca -0.24 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3k6s n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k6s s LEU 106 N -0.90 -0.09 0.38 0.99 2.96 -0.88 -4.78 118.68 116.36 3k6s s LEU 106 Ca 0.00 0.82 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3k6s s LEU 106 Cb 0.00 1.19 -0.07 0.00 0.50 0.00 0.00 46.19 47.82 3k6s s LEU 106 CO 0.00 -0.20 -0.00 0.00 -1.32 0.00 0.00 176.35 174.83 3k6s s PHE 108 N -2.64 0.43 -0.27 0.00 0.08 -0.76 -3.09 117.98 111.72 3k6s s PHE 108 Ca 0.35 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.26 3k6s s PHE 108 Cb 0.06 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 42.09 3k6s s PHE 108 CO 0.18 -0.10 0.08 -0.51 -0.10 0.00 0.00 175.22 174.77 3k6s s LEU 109 N 0.63 3.64 0.00 -0.37 1.43 -0.66 -2.52 118.68 120.82 3k6s s LEU 109 Ca -0.07 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3k6s s LEU 109 Cb -0.10 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3k6s s LEU 109 CO -0.01 -0.11 0.00 0.18 0.23 0.00 0.00 176.35 176.64 3k6s n LEU 110 N 4.91 0.00 0.00 1.79 4.32 -1.09 -1.73 117.00 125.20 3k6s n LEU 110 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 3k6s n LEU 110 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 3k6s n LEU 110 CO 0.31 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 3k6s n GLY 111 N 5.00 0.87 1.98 -0.72 0.00 -1.26 -3.85 105.19 107.20 3k6s n GLY 111 Ca 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 3k6s n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k6s n PRO 112 N -1.16 0.96 0.00 1.61 -0.02 -1.26 -4.70 135.00 130.43 3k6s n PRO 112 Ca 0.00 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 3k6s n PRO 112 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3k6s n PRO 112 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k6s n THR 113 N 2.26 0.00 -3.27 3.45 -2.24 -1.26 -5.14 114.28 108.08 3k6s n THR 113 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 3k6s n THR 113 Cb 0.45 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3k6s n THR 113 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3k6s s GLN 114 N 4.34 4.24 -1.19 -0.78 -0.21 -1.26 -4.98 119.66 119.82 3k6s s GLN 114 Ca 0.00 0.68 -0.21 0.00 0.02 0.00 0.00 55.36 55.85 3k6s s GLN 114 Cb 0.00 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 3k6s s GLN 114 CO 0.00 0.48 1.89 1.28 -2.12 0.00 0.00 175.29 176.82 3k6s n LEU 115 N 2.36 3.68 -4.76 2.90 4.77 -1.26 -4.77 117.00 119.92 3k6s n LEU 115 Ca -0.09 -3.36 -0.33 0.00 -0.03 0.00 0.00 56.01 52.20 3k6s n LEU 115 Cb 0.51 -1.70 0.06 0.00 -2.33 0.00 0.00 43.42 39.96 3k6s n LEU 115 CO 0.42 -1.18 0.75 -0.89 -1.33 0.00 0.00 177.39 175.16 3k6s s THR 116 N 8.81 3.00 -0.31 -5.08 2.01 -0.70 -4.89 115.64 118.48 3k6s s THR 116 Ca 0.64 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 3k6s s THR 116 Cb 0.02 -3.00 0.10 0.00 0.01 0.00 0.00 72.50 69.63 3k6s s THR 116 CO 0.12 -0.28 0.09 -1.10 -0.69 0.00 0.00 174.62 172.76 3k6s s GLN 117 N -4.04 0.74 -0.26 4.92 -0.21 -1.26 -1.65 119.66 117.89 3k6s s GLN 117 Ca 0.69 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 3k6s s GLN 117 Cb -0.23 -2.03 0.02 0.00 1.00 0.00 0.00 33.01 31.78 3k6s s GLN 117 CO 0.42 -0.98 -0.02 1.03 -2.12 0.00 0.00 175.29 173.63 3k6s s ARG 118 N 1.60 2.89 -0.19 2.91 0.52 -1.18 -3.77 118.95 121.73 3k6s s ARG 118 Ca 0.10 -0.96 0.16 0.00 -0.52 0.00 0.00 55.73 54.51 3k6s s ARG 118 Cb -0.17 -3.11 -0.23 0.00 0.52 0.00 0.00 34.95 31.96 3k6s s ARG 118 CO -0.24 -0.43 0.06 -0.11 0.02 0.00 0.00 175.30 174.60 3k6s n LEU 119 N 4.72 0.05 -4.32 2.53 7.94 -1.26 -3.81 117.00 122.85 3k6s n LEU 119 Ca -0.16 -0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.28 3k6s n LEU 119 Cb 0.47 0.44 -0.04 0.00 0.53 0.00 0.00 43.42 44.82 3k6s n LEU 119 CO 0.28 0.47 0.21 -2.16 -1.11 0.00 0.00 177.39 175.08 3k6s s PRO 120 N -2.45 3.12 -1.77 1.96 0.04 -1.26 -5.00 135.00 129.64 3k6s s PRO 120 Ca -0.10 -1.86 -0.18 0.00 0.04 0.00 0.00 61.00 58.91 3k6s s PRO 120 Cb 0.06 -4.33 0.17 0.00 0.04 0.00 0.00 34.50 30.44 3k6s s PRO 120 CO 0.77 -1.33 0.56 0.28 0.04 0.00 0.00 177.00 177.31 3k6s n VAL 121 N 4.99 -0.59 -3.13 -0.36 0.31 -1.25 -4.83 118.33 113.47 3k6s n VAL 121 Ca -0.08 -0.10 -0.45 0.00 -0.01 0.00 0.00 64.34 63.70 3k6s n VAL 121 Cb 0.42 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.33 3k6s n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k6s s SER 122 N -3.48 6.95 -0.62 4.52 1.04 -1.26 -4.99 113.70 115.85 3k6s s SER 122 Ca 0.65 -2.83 -0.30 0.00 0.48 0.00 0.00 55.95 53.95 3k6s s SER 122 Cb -0.37 -2.31 -0.17 0.00 0.10 0.00 0.00 66.02 63.28 3k6s s SER 122 CO 0.99 -0.67 1.97 -2.11 0.98 0.00 0.00 173.24 174.40 3k6s n ARG 123 N 4.72 0.00 -1.55 4.02 1.85 -1.26 -4.44 116.66 120.00 3k6s n ARG 123 Ca 0.25 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.76 3k6s n ARG 123 Cb 0.45 -1.21 -0.05 0.00 -1.05 0.00 0.00 32.46 30.60 3k6s n ARG 123 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3k6s n GLN 124 N 6.49 0.87 -1.41 2.89 6.02 -1.26 -4.88 117.38 126.09 3k6s n GLN 124 Ca 0.49 -0.12 -0.34 0.00 -0.01 0.00 0.00 57.00 57.03 3k6s n GLN 124 Cb -0.00 -3.27 0.09 0.00 1.02 0.00 0.00 30.24 28.08 3k6s n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3k6s s GLU 125 N 8.43 2.14 1.25 -1.09 2.02 -1.26 -4.99 118.70 125.19 3k6s s GLU 125 Ca 1.01 1.66 -0.16 0.00 0.02 0.00 0.00 54.97 57.50 3k6s s GLU 125 Cb -0.28 -1.84 0.31 0.00 0.10 0.00 0.00 34.13 32.42 3k6s s GLU 125 CO 0.26 -1.81 1.00 0.00 0.02 0.00 0.00 175.26 174.73 3k6s s PRO 127 N -4.72 4.66 -0.05 0.00 0.05 -1.26 -5.16 135.00 128.52 3k6s s PRO 127 Ca 0.68 1.29 0.13 0.00 0.05 0.00 0.00 61.00 63.15 3k6s s PRO 127 Cb -0.20 -3.30 0.46 0.00 0.05 0.00 0.00 34.50 31.50 3k6s s PRO 127 CO 0.62 0.45 1.33 2.89 0.05 0.00 0.00 177.00 182.34 3k6s n ARG 128 N 1.96 2.57 -0.93 4.56 1.85 -1.26 -5.17 116.66 120.24 3k6s n ARG 128 Ca -0.03 -1.81 0.08 0.00 -1.00 0.00 0.00 57.85 55.09 3k6s n ARG 128 Cb 0.48 -1.58 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 3k6s n ARG 128 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3k6s n SER 327 N 0.72 -3.86 -1.35 2.89 7.64 -1.26 -5.33 113.62 113.07 3k6s n SER 327 Ca 0.17 0.50 -0.02 0.00 1.01 0.00 0.00 58.87 60.52 3k6s n SER 327 Cb 0.55 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.78 3k6s n SER 327 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3k6s n PHE 328 N -3.13 -0.95 0.00 1.43 3.72 -1.24 -5.04 117.46 112.24 3k6s n PHE 328 Ca -0.02 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 3k6s n PHE 328 Cb 0.54 0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3k6s n PHE 328 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3k6s n GLU 329 N -0.10 0.00 -2.91 -1.08 -0.58 -1.26 -4.10 120.64 110.61 3k6s n GLU 329 Ca -0.01 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.61 3k6s n GLU 329 Cb 0.11 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.02 3k6s n GLU 329 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3k6s n LEU 330 N -0.78 -0.44 -0.12 -4.62 4.77 -1.26 -0.46 117.00 114.09 3k6s n LEU 330 Ca 0.00 -4.22 -0.19 0.00 -0.03 0.00 0.00 56.01 51.57 3k6s n LEU 330 Cb 0.00 0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 3k6s n LEU 330 CO 0.00 2.07 -1.30 -0.62 -1.33 0.00 0.00 177.39 176.21 3k6s n GLU 331 N 0.16 0.58 -2.80 3.23 4.71 -1.26 -4.68 120.64 120.57 3k6s n GLU 331 Ca 0.13 0.16 -0.25 0.00 -0.01 0.00 0.00 57.16 57.20 3k6s n GLU 331 Cb 0.72 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 29.67 3k6s n GLU 331 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3k6s n MET 332 N -3.43 2.92 0.00 3.49 2.81 -1.21 -1.47 117.12 120.22 3k6s n MET 332 Ca -0.44 -4.48 0.11 0.00 -1.81 0.00 0.00 57.70 51.08 3k6s n MET 332 Cb 0.92 -2.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 3k6s n MET 332 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k6s n ALA 333 N -0.26 4.05 -4.25 3.04 0.00 -0.83 -3.61 120.51 118.65 3k6s n ALA 333 Ca 0.31 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 3k6s n ALA 333 Cb 0.54 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 3k6s n ALA 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k6s n GLN 334 N -0.64 -0.84 -1.66 0.00 6.02 -1.01 -1.70 117.38 117.56 3k6s n GLN 334 Ca 0.07 0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 3k6s n GLN 334 Cb 0.41 -3.34 0.01 0.00 1.02 0.00 0.00 30.24 28.34 3k6s n GLN 334 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3k6s n GLU 335 N -4.58 1.64 -0.43 -1.09 2.13 -0.37 -2.33 120.64 115.61 3k6s n GLU 335 Ca -0.29 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.11 3k6s n GLU 335 Cb 0.66 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.17 3k6s n GLU 335 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k6s n GLY 336 N 1.00 0.78 0.31 8.31 0.00 -0.94 -4.18 105.19 110.46 3k6s n GLY 336 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3k6s n GLY 336 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k6s h PHE 337 N 0.00 0.00 -2.33 1.61 3.57 -1.47 -3.41 116.94 114.92 3k6s h PHE 337 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3k6s h PHE 337 Cb 0.00 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 38.50 3k6s h PHE 337 CO 0.00 0.00 -0.18 -1.54 -2.23 0.00 0.00 178.31 174.36 3k6s s SER 338 N -6.60 -0.70 0.09 0.41 1.04 -1.26 -4.62 113.70 102.06 3k6s s SER 338 Ca -0.05 1.20 0.05 0.00 0.48 0.00 0.00 55.95 57.63 3k6s s SER 338 Cb 0.18 1.23 -0.03 0.00 0.10 0.00 0.00 66.02 67.50 3k6s s SER 338 CO 0.68 -0.22 -0.13 0.00 0.98 0.00 0.00 173.24 174.55 3k6s s ALA 339 N 1.81 1.26 -0.13 5.32 0.00 -1.26 -2.11 121.76 126.65 3k6s s ALA 339 Ca -0.08 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 3k6s s ALA 339 Cb -0.08 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.03 3k6s s ALA 339 CO -0.16 0.10 0.53 0.54 0.00 0.00 0.00 175.76 176.76 3k6s s VAL 340 N -1.83 0.01 0.36 0.00 0.11 -0.88 -4.62 120.40 113.56 3k6s s VAL 340 Ca 0.03 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3k6s s VAL 340 Cb -0.07 -0.78 0.08 0.00 -1.53 0.00 0.00 36.38 34.08 3k6s s VAL 340 CO 0.02 -0.06 0.49 0.49 -3.33 0.00 0.00 175.10 172.72 3k6s n PHE 341 N 2.01 -3.91 0.00 1.54 3.72 -1.26 -2.15 117.46 117.41 3k6s n PHE 341 Ca -0.17 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 3k6s n PHE 341 Cb 0.56 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3k6s n PHE 341 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3k6s n THR 342 N -2.62 0.00 -0.65 4.37 5.66 -1.23 -4.74 114.28 115.08 3k6s n THR 342 Ca 0.06 0.00 0.50 0.00 -3.05 0.00 0.00 64.05 61.56 3k6s n THR 342 Cb 0.22 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.78 3k6s n THR 342 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3k6s n PRO 343 N -0.19 -0.01 -2.54 1.09 -0.02 -1.26 -0.84 135.00 131.24 3k6s n PRO 343 Ca 0.00 1.10 -0.36 0.00 -2.02 0.00 0.00 63.50 62.21 3k6s n PRO 343 Cb 0.00 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.04 3k6s n PRO 343 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3k6s n ASP 344 N -4.04 6.48 0.00 2.55 5.68 -1.26 -5.02 116.55 120.93 3k6s n ASP 344 Ca 0.43 -3.73 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 3k6s n ASP 344 Cb 1.89 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 3k6s n ASP 344 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k6s n GLY 345 N -0.25 -0.82 3.41 6.12 0.00 -0.02 -4.42 105.19 109.21 3k6s n GLY 345 Ca 0.44 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3k6s n GLY 345 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k6s s PRO 346 N -3.46 -2.03 -0.27 1.61 0.02 -1.23 -3.47 135.00 126.18 3k6s s PRO 346 Ca 0.00 0.30 -0.01 0.00 0.02 0.00 0.00 61.00 61.31 3k6s s PRO 346 Cb 0.00 -1.47 0.15 0.00 0.02 0.00 0.00 34.50 33.20 3k6s s PRO 346 CO 0.00 -4.33 0.43 0.08 -0.33 0.00 0.00 177.00 172.85 3k6s s VAL 347 N -2.46 -0.69 0.21 3.83 1.01 -0.91 -2.46 120.40 118.92 3k6s s VAL 347 Ca 0.69 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3k6s s VAL 347 Cb -0.16 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3k6s s VAL 347 CO 0.60 -0.14 0.36 -0.76 0.00 0.00 0.00 175.10 175.16 3k6s s LEU 348 N 2.61 4.28 -0.12 3.92 1.02 -0.97 -2.08 118.68 127.33 3k6s s LEU 348 Ca 0.13 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.50 3k6s s LEU 348 Cb -0.14 -2.98 -0.01 0.00 0.02 0.00 0.00 46.19 43.07 3k6s s LEU 348 CO -0.21 -0.04 -0.15 -0.83 0.02 0.00 0.00 176.35 175.14 3k6s s GLY 349 N -3.56 1.51 0.12 -3.19 0.00 -0.90 -0.54 107.32 100.76 3k6s s GLY 349 Ca 0.36 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3k6s s GLY 349 CO 0.30 -0.23 0.31 0.00 0.00 0.00 0.00 173.10 173.47 3k6s s ALA 350 N 0.30 3.89 -0.07 3.20 0.00 -0.54 -2.22 121.76 126.31 3k6s s ALA 350 Ca -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3k6s s ALA 350 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3k6s s ALA 350 CO 0.06 0.70 -0.08 1.33 0.00 0.00 0.00 175.76 177.77 3k6s n VAL 351 N 0.06 0.41 -0.12 0.00 0.24 -0.69 -1.65 118.33 116.57 3k6s n VAL 351 Ca -0.04 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3k6s n VAL 351 Cb 0.52 -1.29 0.08 0.00 -1.47 0.00 0.00 33.84 31.67 3k6s n VAL 351 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k6s n GLY 352 N 2.76 3.25 3.63 7.63 0.00 -1.24 -2.87 105.19 118.36 3k6s n GLY 352 Ca -0.14 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3k6s n GLY 352 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k6s s SER 353 N -0.02 6.16 1.88 1.61 0.01 -1.26 -4.15 113.70 117.92 3k6s s SER 353 Ca 0.27 2.03 0.00 0.00 1.31 0.00 0.00 55.95 59.55 3k6s s SER 353 Cb 0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3k6s s SER 353 CO 0.04 -1.38 0.00 0.49 0.41 0.00 0.00 173.24 172.81 3k6s n PHE 354 N 9.02 0.00 -0.68 2.43 3.72 0.39 -0.69 117.46 131.65 3k6s n PHE 354 Ca 0.22 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.56 3k6s n PHE 354 Cb 0.44 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.96 3k6s n PHE 354 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k6s n THR 355 N 0.00 2.33 -2.63 4.37 -2.24 -1.26 -3.67 114.28 111.18 3k6s n THR 355 Ca 0.00 -0.95 -0.14 0.00 -2.27 0.00 0.00 64.05 60.69 3k6s n THR 355 Cb 0.00 -1.53 -0.00 0.00 -2.10 0.00 0.00 70.33 66.69 3k6s n THR 355 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3k6s n TRP 356 N 1.37 -1.52 0.37 4.78 7.02 -0.84 -2.22 117.44 126.40 3k6s n TRP 356 Ca 0.13 0.10 -0.15 0.00 -1.02 0.00 0.00 57.50 56.57 3k6s n TRP 356 Cb 0.57 -2.78 -0.07 0.00 -2.42 0.00 0.00 31.31 26.61 3k6s n TRP 356 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k6s h SER 357 N -0.22 -0.81 -5.00 -0.99 0.87 -1.01 -3.15 113.55 103.24 3k6s h SER 357 Ca -0.31 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3k6s h SER 357 Cb 1.23 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3k6s h SER 357 CO 0.37 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.73 3k6s n GLY 358 N -1.33 1.21 0.00 5.77 0.00 -1.14 -1.82 105.19 107.89 3k6s n GLY 358 Ca -0.12 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.63 3k6s n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6s n GLY 359 N -0.89 -0.58 3.49 -0.02 0.00 -0.07 -4.54 105.19 102.59 3k6s n GLY 359 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 3k6s n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s s ALA 360 N -1.00 -1.52 -0.26 4.61 0.00 -1.17 -1.47 121.76 120.95 3k6s s ALA 360 Ca 0.00 1.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.73 3k6s s ALA 360 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3k6s s ALA 360 CO 0.00 -0.32 0.51 -0.06 0.00 0.00 0.00 175.76 175.89 3k6s s PHE 361 N 1.16 3.27 -0.09 0.00 0.08 0.30 -2.20 117.98 120.49 3k6s s PHE 361 Ca -0.07 0.63 -0.15 0.00 0.12 0.00 0.00 56.93 57.46 3k6s s PHE 361 Cb -0.06 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.63 3k6s s PHE 361 CO -0.11 -0.28 0.37 -1.17 -0.10 0.00 0.00 175.22 173.93 3k6s s LEU 362 N 2.30 4.34 -0.38 -0.37 0.20 -1.06 -2.30 118.68 121.42 3k6s s LEU 362 Ca 0.21 0.75 -0.02 0.00 0.69 0.00 0.00 54.13 55.75 3k6s s LEU 362 Cb -0.16 -2.51 0.09 0.00 -0.43 0.00 0.00 46.19 43.19 3k6s s LEU 362 CO 0.09 0.18 0.14 -0.31 -0.29 0.00 0.00 176.35 176.16 3k6s s TYR 363 N -0.15 3.53 0.63 5.38 2.02 -1.03 -0.94 117.35 126.79 3k6s s TYR 363 Ca 0.21 -2.33 -0.11 0.00 -0.37 0.00 0.00 57.07 54.48 3k6s s TYR 363 Cb -0.15 -2.92 0.16 0.00 -0.40 0.00 0.00 41.96 38.65 3k6s s TYR 363 CO 0.09 -0.93 0.51 -2.30 -1.57 0.00 0.00 175.55 171.35 3k6s n PRO 364 N 4.57 -2.43 -2.33 -1.71 -0.02 -1.26 -3.49 135.00 128.32 3k6s n PRO 364 Ca -0.04 -0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 60.22 3k6s n PRO 364 Cb 0.42 -0.84 -0.01 0.00 -0.02 0.00 0.00 33.50 33.05 3k6s n PRO 364 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k6s n PRO 365 N -3.34 2.77 -0.30 0.52 -0.04 -1.26 -4.15 135.00 129.20 3k6s n PRO 365 Ca 0.07 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 3k6s n PRO 365 Cb 0.29 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.24 3k6s n PRO 365 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3k6s n ASN 366 N 9.39 0.00 -4.78 3.54 2.85 -1.26 -4.96 115.26 120.04 3k6s n ASN 366 Ca 0.48 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.60 3k6s n ASN 366 Cb 0.45 -1.10 -0.02 0.00 1.24 0.00 0.00 39.78 40.35 3k6s n ASN 366 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3k6s s MET 367 N -0.24 3.68 0.47 1.20 -2.45 -1.26 -5.00 119.30 115.70 3k6s s MET 367 Ca 0.00 1.59 -0.24 0.00 -1.25 0.00 0.00 55.69 55.79 3k6s s MET 367 Cb 0.00 -2.21 -0.08 0.00 1.25 0.00 0.00 34.83 33.79 3k6s s MET 367 CO 0.00 -0.57 1.30 -1.13 1.05 0.00 0.00 175.02 175.67 3k6s n SER 368 N -0.83 2.62 -4.83 1.11 3.41 -1.26 -4.23 113.62 109.62 3k6s n SER 368 Ca 0.09 1.06 -0.30 0.00 -0.26 0.00 0.00 58.87 59.45 3k6s n SER 368 Cb 0.50 -1.53 0.06 0.00 -0.26 0.00 0.00 64.21 62.98 3k6s n SER 368 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k6s s PRO 369 N -2.46 2.65 0.00 4.33 0.04 -1.26 -4.63 135.00 133.67 3k6s s PRO 369 Ca 0.65 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3k6s s PRO 369 Cb -0.47 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3k6s s PRO 369 CO 0.55 -1.25 0.00 0.25 0.04 0.00 0.00 177.00 176.59 3k6s n THR 370 N -3.20 0.00 -3.62 1.26 -2.24 -0.12 -4.96 114.28 101.40 3k6s n THR 370 Ca 0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3k6s n THR 370 Cb 0.55 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3k6s n THR 370 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k6s s PHE 371 N 0.94 -0.42 -0.30 4.78 5.36 -1.26 -2.57 117.98 124.50 3k6s s PHE 371 Ca 0.00 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 3k6s s PHE 371 Cb 0.00 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.16 3k6s s PHE 371 CO 0.00 -0.24 0.07 0.96 -1.46 0.00 0.00 175.22 174.55 3k6s s ILE 372 N -0.09 1.25 0.00 3.12 -4.36 -0.93 -5.00 121.20 115.19 3k6s s ILE 372 Ca 0.02 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3k6s s ILE 372 Cb -0.04 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.79 3k6s s ILE 372 CO -0.05 -0.57 0.00 -0.46 0.24 0.00 0.00 174.94 174.10 3k6s n ASN 373 N 4.70 0.00 -0.53 4.36 0.23 -1.26 -3.04 115.26 119.72 3k6s n ASN 373 Ca -0.02 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.08 3k6s n ASN 373 Cb 0.43 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.26 3k6s n ASN 373 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3k6s n MET 374 N 0.00 2.88 -0.61 -3.83 2.81 -1.26 -5.02 117.12 112.09 3k6s n MET 374 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 57.70 53.97 3k6s n MET 374 Cb 0.00 -1.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 3k6s n MET 374 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k6s n SER 375 N 0.27 -3.50 -0.01 7.83 3.41 -1.26 -4.34 113.62 116.02 3k6s n SER 375 Ca 0.10 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 59.19 3k6s n SER 375 Cb 0.42 -2.03 -0.12 0.00 -0.26 0.00 0.00 64.21 62.23 3k6s n SER 375 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3k6s n GLN 376 N -3.14 0.63 0.15 4.33 7.27 -1.26 -3.61 117.38 121.76 3k6s n GLN 376 Ca -0.03 0.21 0.07 0.00 0.07 0.00 0.00 57.00 57.32 3k6s n GLN 376 Cb 0.29 -1.76 0.36 0.00 2.41 0.00 0.00 30.24 31.54 3k6s n GLN 376 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3k6s n GLU 377 N -2.91 0.09 -2.80 3.69 1.02 -1.26 -3.54 120.64 114.93 3k6s n GLU 377 Ca -0.15 0.56 -0.43 0.00 -0.02 0.00 0.00 57.16 57.12 3k6s n GLU 377 Cb 0.95 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3k6s n GLU 377 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3k6s s ASN 378 N -3.43 6.55 0.36 1.62 2.47 -1.24 -4.89 114.94 116.37 3k6s s ASN 378 Ca -0.01 -1.76 0.05 0.00 0.42 0.00 0.00 52.86 51.55 3k6s s ASN 378 Cb 0.04 -2.46 0.71 0.00 -1.45 0.00 0.00 41.25 38.09 3k6s s ASN 378 CO 0.12 -1.24 1.98 -0.37 -3.72 0.00 0.00 177.10 173.87 3k6s h VAL 379 N 6.15 1.08 -1.00 -5.21 -1.51 -1.89 -3.43 116.25 110.43 3k6s h VAL 379 Ca 0.13 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3k6s h VAL 379 Cb 1.02 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3k6s h VAL 379 CO 1.22 0.14 0.00 -0.90 -1.23 0.00 0.00 177.57 176.80 3k6s n ASP 380 N -4.46 0.00 -0.69 4.19 5.68 -1.26 -4.63 116.55 115.38 3k6s n ASP 380 Ca 0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.29 3k6s n ASP 380 Cb 0.15 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 3k6s n ASP 380 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3k6s n MET 381 N 0.00 -0.59 -2.50 0.11 0.00 -1.26 -4.98 117.12 107.90 3k6s n MET 381 Ca 0.00 0.72 -0.43 0.00 0.00 0.00 0.00 57.70 58.00 3k6s n MET 381 Cb 0.00 -4.59 -0.02 0.00 0.00 0.00 0.00 33.22 28.60 3k6s n MET 381 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3k6s s ARG 382 N -2.99 4.32 -0.70 2.12 0.52 -1.26 -4.07 118.95 116.88 3k6s s ARG 382 Ca 0.00 1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3k6s s ARG 382 Cb 0.00 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.85 3k6s s ARG 382 CO 0.00 -0.52 0.67 -0.25 0.02 0.00 0.00 175.30 175.22 3k6s n ASP 383 N 5.65 -7.55 0.00 0.23 8.00 -0.94 -4.72 116.55 117.22 3k6s n ASP 383 Ca 0.12 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3k6s n ASP 383 Cb 0.46 -5.12 0.00 0.00 -0.02 0.00 0.00 41.12 36.44 3k6s n ASP 383 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3k6s n SER 384 N -1.71 0.07 -3.80 -2.24 3.41 -1.19 -4.46 113.62 103.70 3k6s n SER 384 Ca 0.00 -0.34 -0.27 0.00 -0.26 0.00 0.00 58.87 58.00 3k6s n SER 384 Cb 0.50 0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.81 3k6s n SER 384 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k6s n TYR 385 N -0.33 -2.33 -1.49 7.33 4.01 -1.23 -2.71 117.16 120.41 3k6s n TYR 385 Ca 0.00 0.92 -0.47 0.00 -0.16 0.00 0.00 57.90 58.19 3k6s n TYR 385 Cb 0.03 -4.29 -0.06 0.00 -0.31 0.00 0.00 39.34 34.71 3k6s n TYR 385 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3k6s n LEU 386 N -4.65 2.21 0.00 7.72 7.94 -0.76 -0.46 117.00 129.01 3k6s n LEU 386 Ca -0.04 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 3k6s n LEU 386 Cb 0.57 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.18 3k6s n LEU 386 CO 0.72 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3k6s n GLY 387 N 6.35 1.37 0.37 -3.96 0.00 -0.93 -0.89 105.19 107.49 3k6s n GLY 387 Ca 0.41 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.49 3k6s n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k6s h TYR 388 N 0.00 1.08 -4.03 1.61 5.03 -0.43 -3.40 116.97 116.82 3k6s h TYR 388 Ca 0.00 0.03 -0.40 0.00 2.58 0.00 0.00 58.73 60.94 3k6s h TYR 388 Cb 0.00 -0.35 -0.26 0.00 1.55 0.00 0.00 36.73 37.67 3k6s h TYR 388 CO 0.00 0.49 -0.78 -1.54 -1.32 0.00 0.00 178.16 175.01 3k6s s SER 389 N -5.84 1.26 0.02 -2.11 1.04 -1.26 -4.45 113.70 102.35 3k6s s SER 389 Ca -0.12 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3k6s s SER 389 Cb 0.21 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 3k6s s SER 389 CO 0.80 0.04 -0.06 0.42 0.98 0.00 0.00 173.24 175.42 3k6s s THR 390 N -0.60 0.47 0.02 2.02 -4.23 -1.26 -1.32 115.64 110.73 3k6s s THR 390 Ca 0.01 -0.63 -0.19 0.00 -1.18 0.00 0.00 61.69 59.70 3k6s s THR 390 Cb -0.06 -0.47 0.04 0.00 1.34 0.00 0.00 72.50 73.35 3k6s s THR 390 CO 0.00 -0.12 0.42 -0.70 -0.54 0.00 0.00 174.62 173.69 3k6s s GLU 391 N -0.81 0.88 0.77 3.99 2.56 -1.05 -4.67 118.70 120.36 3k6s s GLU 391 Ca -0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.97 54.61 3k6s s GLU 391 Cb -0.06 0.39 0.08 0.00 2.00 0.00 0.00 34.13 36.55 3k6s s GLU 391 CO 0.00 -0.28 1.11 -1.17 -0.56 0.00 0.00 175.26 174.36 3k6s s LEU 392 N -1.72 2.68 -0.40 2.70 2.96 -1.26 -2.27 118.68 121.38 3k6s s LEU 392 Ca -0.08 0.56 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3k6s s LEU 392 Cb -0.02 -3.08 0.39 0.00 0.50 0.00 0.00 46.19 43.98 3k6s s LEU 392 CO 0.01 -1.83 1.21 0.00 -1.32 0.00 0.00 176.35 174.42 3k6s n ALA 393 N -3.16 1.25 -1.37 5.97 0.00 0.00 -4.51 120.51 118.69 3k6s n ALA 393 Ca 0.09 -1.75 -0.38 0.00 0.00 0.00 0.00 53.44 51.40 3k6s n ALA 393 Cb 0.61 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.07 3k6s n ALA 393 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3k6s n LEU 394 N -0.27 -0.54 -3.75 0.00 0.00 -1.26 -3.69 117.00 107.48 3k6s n LEU 394 Ca 0.02 0.68 -0.10 0.00 0.00 0.00 0.00 56.01 56.62 3k6s n LEU 394 Cb 0.81 -1.08 -0.05 0.00 0.00 0.00 0.00 43.42 43.09 3k6s n LEU 394 CO 0.02 -3.59 0.12 0.86 0.00 0.00 0.00 177.39 174.80 3k6s s TRP 395 N -1.82 -0.02 0.58 1.96 -0.00 -1.25 -2.73 118.94 115.65 3k6s s TRP 395 Ca 0.65 -0.33 0.35 0.00 -0.00 0.00 0.00 56.10 56.77 3k6s s TRP 395 Cb -0.44 0.19 1.40 0.00 -0.00 0.00 0.00 33.47 34.62 3k6s s TRP 395 CO 0.58 -0.73 1.64 -0.22 -0.00 0.00 0.00 176.95 178.23 3k6s h LYS 396 N 2.42 0.00 0.00 5.86 3.64 -1.92 -3.36 116.57 123.20 3k6s h LYS 396 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3k6s h LYS 396 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3k6s h LYS 396 CO 0.46 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.05 3k6s n GLY 397 N -1.73 0.55 3.92 5.01 0.00 -1.26 -5.09 105.19 106.59 3k6s n GLY 397 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 3k6s n GLY 397 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k6s s VAL 398 N 2.95 3.55 1.02 1.61 -7.23 -1.26 -5.08 120.40 115.97 3k6s s VAL 398 Ca 0.00 -0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 3k6s s VAL 398 Cb 0.00 -3.41 0.20 0.00 0.56 0.00 0.00 36.38 33.73 3k6s s VAL 398 CO 0.00 -0.41 1.12 -1.10 -0.31 0.00 0.00 175.10 174.40 3k6s s GLN 399 N -4.96 0.24 -0.20 4.82 1.11 -1.26 -3.80 119.66 115.61 3k6s s GLN 399 Ca 0.54 0.27 -0.11 0.00 0.01 0.00 0.00 55.36 56.07 3k6s s GLN 399 Cb -0.10 -1.74 0.06 0.00 -1.01 0.00 0.00 33.01 30.22 3k6s s GLN 399 CO 0.44 -2.80 0.48 -1.12 0.01 0.00 0.00 175.29 172.30 3k6s s SER 400 N -3.78 -0.63 0.44 5.90 0.01 -1.24 -4.45 113.70 109.95 3k6s s SER 400 Ca 0.67 1.06 0.02 0.00 1.31 0.00 0.00 55.95 59.00 3k6s s SER 400 Cb -0.15 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.02 3k6s s SER 400 CO 0.56 -0.20 0.64 -0.76 0.41 0.00 0.00 173.24 173.88 3k6s s LEU 401 N 1.44 3.66 -0.13 2.44 1.43 -0.78 -0.82 118.68 125.93 3k6s s LEU 401 Ca -0.10 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3k6s s LEU 401 Cb -0.07 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.17 3k6s s LEU 401 CO -0.14 -0.71 0.32 -0.69 0.23 0.00 0.00 176.35 175.35 3k6s s VAL 402 N -2.50 -0.02 0.02 -1.59 1.01 -0.96 -1.45 120.40 114.91 3k6s s VAL 402 Ca 0.49 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3k6s s VAL 402 Cb -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 3k6s s VAL 402 CO 0.36 0.04 -0.23 -0.76 0.00 0.00 0.00 175.10 174.51 3k6s s LEU 403 N 0.97 2.12 -0.21 3.92 1.43 -0.86 -2.52 118.68 123.52 3k6s s LEU 403 Ca -0.07 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3k6s s LEU 403 Cb -0.07 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3k6s s LEU 403 CO -0.07 0.23 0.21 -0.83 0.23 0.00 0.00 176.35 176.12 3k6s s GLY 404 N -0.93 2.05 -0.70 -3.19 0.00 -0.43 -2.59 107.32 101.53 3k6s s GLY 404 Ca 0.09 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.16 3k6s s GLY 404 CO 0.01 0.38 0.54 0.00 0.00 0.00 0.00 173.10 174.02 3k6s n ALA 405 N 3.96 3.52 -0.30 3.20 0.00 -0.53 -2.20 120.51 128.17 3k6s n ALA 405 Ca -0.14 -4.57 0.31 0.00 0.00 0.00 0.00 53.44 49.04 3k6s n ALA 405 Cb 0.52 -1.01 0.68 0.00 0.00 0.00 0.00 19.45 19.64 3k6s n ALA 405 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k6s h PRO 406 N 5.19 0.10 -1.14 0.00 0.11 -1.69 -0.26 132.00 134.32 3k6s h PRO 406 Ca 0.16 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.75 3k6s h PRO 406 Cb 0.74 -0.02 -0.42 0.00 0.11 0.00 0.00 31.00 31.41 3k6s h PRO 406 CO 0.74 0.07 -0.86 0.54 -0.21 0.00 0.00 178.00 178.27 3k6s n ARG 407 N -4.31 2.99 -2.51 1.05 1.74 -1.21 -2.33 116.66 112.07 3k6s n ARG 407 Ca 0.24 -4.14 -0.43 0.00 -0.77 0.00 0.00 57.85 52.75 3k6s n ARG 407 Cb 1.10 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3k6s n ARG 407 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3k6s s TYR 408 N -3.52 2.74 -1.97 -1.55 6.14 -1.15 -2.67 117.35 115.37 3k6s s TYR 408 Ca 0.44 0.80 0.00 0.00 0.64 0.00 0.00 57.07 58.94 3k6s s TYR 408 Cb 0.41 -4.22 0.00 0.00 0.42 0.00 0.00 41.96 38.56 3k6s s TYR 408 CO -0.08 -1.45 0.00 1.04 0.64 0.00 0.00 175.55 175.70 3k6s n GLN 409 N 7.69 -1.55 -0.93 4.97 6.02 -1.26 -2.24 117.38 130.08 3k6s n GLN 409 Ca 0.14 1.11 0.00 0.00 -0.01 0.00 0.00 57.00 58.24 3k6s n GLN 409 Cb 0.48 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 26.11 3k6s n GLN 409 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k6s n HIS 410 N -3.25 0.00 -0.05 1.08 8.25 -1.09 -4.83 115.22 115.33 3k6s n HIS 410 Ca -0.23 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.17 3k6s n HIS 410 Cb 0.68 -0.72 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 3k6s n HIS 410 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k6s n THR 411 N -2.39 1.28 0.00 1.59 -2.24 -0.95 -2.10 114.28 109.48 3k6s n THR 411 Ca 0.00 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3k6s n THR 411 Cb 0.13 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 3k6s n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k6s n GLY 412 N 1.94 3.31 3.31 3.38 0.00 -0.98 -2.20 105.19 113.94 3k6s n GLY 412 Ca -0.10 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3k6s n GLY 412 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k6s s LYS 413 N -3.08 1.21 -0.10 1.61 2.20 -0.12 0.29 119.74 121.76 3k6s s LYS 413 Ca 0.00 -1.38 0.04 0.00 -0.36 0.00 0.00 55.97 54.27 3k6s s LYS 413 Cb 0.00 -1.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 3k6s s LYS 413 CO 0.00 0.24 -0.22 0.00 -0.36 0.00 0.00 175.35 175.01 3k6s s ALA 414 N -2.14 2.01 -0.08 3.13 0.00 -1.03 -1.45 121.76 122.21 3k6s s ALA 414 Ca 0.14 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3k6s s ALA 414 Cb -0.05 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 3k6s s ALA 414 CO 0.06 0.25 -0.24 0.08 0.00 0.00 0.00 175.76 175.91 3k6s s VAL 415 N 0.41 2.00 -0.13 0.00 1.01 -1.07 -2.33 120.40 120.30 3k6s s VAL 415 Ca -0.18 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.75 3k6s s VAL 415 Cb -0.18 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3k6s s VAL 415 CO 0.08 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.13 3k6s s ILE 416 N 0.14 4.56 0.06 2.22 1.01 -0.80 -2.03 121.20 126.36 3k6s s ILE 416 Ca -0.12 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.48 3k6s s ILE 416 Cb -0.16 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3k6s s ILE 416 CO 0.07 0.54 -0.23 -0.36 0.00 0.00 0.00 174.94 174.96 3k6s s PHE 417 N -0.31 2.42 0.23 3.97 0.40 -0.53 -1.56 117.98 122.60 3k6s s PHE 417 Ca 0.08 -0.34 0.10 0.00 -0.60 0.00 0.00 56.93 56.16 3k6s s PHE 417 Cb -0.12 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 3k6s s PHE 417 CO 0.02 0.21 -0.11 -0.08 0.70 0.00 0.00 175.22 175.96 3k6s s THR 418 N -0.90 3.01 -0.60 0.64 -1.32 -0.95 -1.86 115.64 113.66 3k6s s THR 418 Ca 0.13 -1.93 0.06 0.00 -1.21 0.00 0.00 61.69 58.74 3k6s s THR 418 Cb -0.10 -2.54 0.27 0.00 -1.51 0.00 0.00 72.50 68.62 3k6s s THR 418 CO 0.04 -0.24 0.76 0.00 -2.21 0.00 0.00 174.62 172.97 3k6s n GLN 419 N -0.33 2.44 -1.60 7.08 6.02 -1.26 -2.75 117.38 126.97 3k6s n GLN 419 Ca -0.09 -4.54 -0.33 0.00 -0.01 0.00 0.00 57.00 52.03 3k6s n GLN 419 Cb 0.57 -2.14 0.07 0.00 1.02 0.00 0.00 30.24 29.76 3k6s n GLN 419 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k6s s VAL 420 N -2.69 2.84 -0.30 5.09 1.01 -1.26 -4.70 120.40 120.39 3k6s s VAL 420 Ca 0.41 0.39 -0.37 0.00 0.00 0.00 0.00 61.98 62.41 3k6s s VAL 420 Cb 0.18 -2.92 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 3k6s s VAL 420 CO -0.04 -0.24 2.02 -0.24 0.00 0.00 0.00 175.10 176.60 3k6s n SER 421 N -2.59 2.33 -3.55 3.32 2.88 -1.26 -1.34 113.62 113.42 3k6s n SER 421 Ca 0.12 0.70 -0.19 0.00 -1.33 0.00 0.00 58.87 58.16 3k6s n SER 421 Cb 0.51 -1.23 0.07 0.00 -0.75 0.00 0.00 64.21 62.81 3k6s n SER 421 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k6s n ARG 422 N 7.14 -6.05 0.00 -1.46 1.74 -1.26 -4.87 116.66 111.89 3k6s n ARG 422 Ca 0.35 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 58.19 3k6s n ARG 422 Cb 0.20 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.03 3k6s n ARG 422 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3k6s n GLN 423 N -4.25 0.00 -3.53 5.56 1.13 -0.45 -5.06 117.38 110.78 3k6s n GLN 423 Ca -0.27 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.60 3k6s n GLN 423 Cb 0.66 0.00 0.07 0.00 0.11 0.00 0.00 30.24 31.08 3k6s n GLN 423 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3k6s n TRP 424 N -1.96 -2.08 -2.71 1.08 8.01 -1.20 -4.91 117.44 113.68 3k6s n TRP 424 Ca 0.00 0.89 -0.03 0.00 -1.31 0.00 0.00 57.50 57.05 3k6s n TRP 424 Cb 0.00 -4.77 0.01 0.00 -2.01 0.00 0.00 31.31 24.54 3k6s n TRP 424 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3k6s n ARG 425 N -4.16 0.76 -3.41 -0.99 1.74 -1.11 -4.90 116.66 104.58 3k6s n ARG 425 Ca -0.29 -0.47 -0.38 0.00 -0.77 0.00 0.00 57.85 55.95 3k6s n ARG 425 Cb 0.67 -0.07 -0.06 0.00 -1.02 0.00 0.00 32.46 31.98 3k6s n ARG 425 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3k6s s MET 426 N -2.58 4.10 -0.04 5.56 -2.45 -1.26 -2.24 119.30 120.38 3k6s s MET 426 Ca 0.10 0.46 -0.03 0.00 -1.25 0.00 0.00 55.69 54.97 3k6s s MET 426 Cb -0.01 -3.30 -0.01 0.00 1.25 0.00 0.00 34.83 32.76 3k6s s MET 426 CO 0.06 0.51 0.18 0.87 1.05 0.00 0.00 175.02 177.70 3k6s h LYS 427 N 5.36 -0.09 0.00 4.11 1.57 -1.60 -3.46 116.57 122.47 3k6s h LYS 427 Ca -0.48 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3k6s h LYS 427 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3k6s h LYS 427 CO 0.66 -0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 3k6s n ALA 428 N -2.36 0.00 -3.66 3.86 0.00 -1.18 -2.66 120.51 114.51 3k6s n ALA 428 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 3k6s n ALA 428 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 3k6s n ALA 428 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3k6s s GLU 429 N -0.74 0.67 -0.16 0.00 -1.05 -1.26 -1.91 118.70 114.25 3k6s s GLU 429 Ca 0.00 -0.36 -0.07 0.00 -0.15 0.00 0.00 54.97 54.38 3k6s s GLU 429 Cb 0.00 0.23 0.07 0.00 -0.44 0.00 0.00 34.13 33.99 3k6s s GLU 429 CO 0.00 -0.31 0.36 0.14 0.95 0.00 0.00 175.26 176.41 3k6s s VAL 430 N -2.73 -0.26 1.33 1.83 -7.23 -0.98 -4.84 120.40 107.51 3k6s s VAL 430 Ca 0.13 0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 3k6s s VAL 430 Cb 0.02 -0.56 0.34 0.00 0.56 0.00 0.00 36.38 36.74 3k6s s VAL 430 CO -0.02 0.06 0.96 0.42 -0.31 0.00 0.00 175.10 176.21 3k6s s THR 431 N 1.88 1.58 0.84 5.32 -4.23 -1.26 -2.45 115.64 117.31 3k6s s THR 431 Ca -0.06 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 3k6s s THR 431 Cb -0.10 -2.02 0.14 0.00 1.34 0.00 0.00 72.50 71.86 3k6s s THR 431 CO -0.11 0.00 1.16 -0.83 -0.54 0.00 0.00 174.62 174.30 3k6s s GLY 432 N -2.75 1.74 -0.17 3.99 0.00 0.15 -4.79 107.32 105.50 3k6s s GLY 432 Ca 0.69 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 44.24 3k6s s GLY 432 CO 0.62 -0.63 0.17 -0.37 0.00 0.00 0.00 173.10 172.89 3k6s n THR 433 N -3.32 1.52 -3.94 0.90 5.66 -1.26 -4.97 114.28 108.88 3k6s n THR 433 Ca 0.13 -0.74 -0.09 0.00 -3.05 0.00 0.00 64.05 60.30 3k6s n THR 433 Cb 0.60 -1.03 -0.09 0.00 -1.55 0.00 0.00 70.33 68.26 3k6s n THR 433 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3k6s s GLN 434 N -2.53 0.58 0.06 1.09 0.74 -1.26 -5.10 119.66 113.24 3k6s s GLN 434 Ca -0.17 -0.78 -0.31 0.00 0.05 0.00 0.00 55.36 54.15 3k6s s GLN 434 Cb 0.07 0.23 -0.06 0.00 1.10 0.00 0.00 33.01 34.35 3k6s s GLN 434 CO 0.76 -0.14 1.33 -1.50 -0.55 0.00 0.00 175.29 175.19 3k6s s ILE 435 N -2.67 3.66 0.00 -2.34 2.07 -1.26 -2.60 121.20 118.06 3k6s s ILE 435 Ca -0.04 1.15 0.00 0.00 -1.41 0.00 0.00 60.65 60.35 3k6s s ILE 435 Cb -0.01 -3.74 0.00 0.00 0.13 0.00 0.00 42.46 38.84 3k6s s ILE 435 CO -0.05 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 3k6s n GLY 436 N 3.46 2.77 0.44 1.50 0.00 -0.89 -4.84 105.19 107.63 3k6s n GLY 436 Ca 0.11 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.39 3k6s n GLY 436 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k6s h SER 437 N 0.00 0.18 -1.67 1.61 4.64 -1.53 -3.44 113.55 113.33 3k6s h SER 437 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3k6s h SER 437 Cb 0.00 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3k6s h SER 437 CO 0.00 0.06 -0.14 0.00 -0.87 0.00 0.00 176.83 175.88 3k6s n TYR 438 N -4.38 -0.51 -1.79 4.77 9.36 -0.94 -3.54 117.16 120.13 3k6s n TYR 438 Ca 0.20 0.16 -0.38 0.00 3.32 0.00 0.00 57.90 61.20 3k6s n TYR 438 Cb 0.89 -1.79 -0.03 0.00 -0.63 0.00 0.00 39.34 37.78 3k6s n TYR 438 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 3k6s s PHE 439 N -2.86 1.39 0.00 2.98 5.36 -1.17 -2.36 117.98 121.32 3k6s s PHE 439 Ca 0.09 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 3k6s s PHE 439 Cb -0.04 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 3k6s s PHE 439 CO 0.11 -2.65 0.00 0.41 -1.46 0.00 0.00 175.22 171.63 3k6s n GLY 440 N 5.80 0.50 0.18 13.12 0.00 -0.56 -2.34 105.19 121.88 3k6s n GLY 440 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 3k6s n GLY 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s h ALA 441 N 0.00 -0.33 -3.01 4.61 0.00 -1.14 -3.40 119.26 115.99 3k6s h ALA 441 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 3k6s h ALA 441 Cb 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 3k6s h ALA 441 CO 0.00 -0.48 -0.71 -1.12 0.00 0.00 0.00 179.25 176.94 3k6s s SER 442 N -3.94 4.40 -0.10 0.00 0.01 -1.26 -4.38 113.70 108.43 3k6s s SER 442 Ca -0.05 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 3k6s s SER 442 Cb 0.04 -0.81 0.03 0.00 0.21 0.00 0.00 66.02 65.50 3k6s s SER 442 CO 0.26 0.10 0.33 -0.76 0.41 0.00 0.00 173.24 173.58 3k6s s LEU 443 N -2.82 0.76 -0.20 2.44 1.02 -1.26 -0.25 118.68 118.37 3k6s s LEU 443 Ca 0.25 0.52 -0.04 0.00 0.02 0.00 0.00 54.13 54.88 3k6s s LEU 443 Cb -0.09 1.18 0.10 0.00 0.02 0.00 0.00 46.19 47.40 3k6s s LEU 443 CO 0.16 -0.20 0.32 0.00 0.02 0.00 0.00 176.35 176.65 3k6s s SER 445 N 2.48 6.94 0.32 0.00 1.04 -1.26 -1.13 113.70 122.09 3k6s s SER 445 Ca 0.07 1.13 0.06 0.00 0.48 0.00 0.00 55.95 57.69 3k6s s SER 445 Cb -0.14 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.37 3k6s s SER 445 CO -0.13 -0.86 -0.02 0.54 0.98 0.00 0.00 173.24 173.75 3k6s s VAL 446 N 3.63 1.66 -0.51 5.02 0.11 -0.67 -4.86 120.40 124.78 3k6s s VAL 446 Ca 0.46 -2.08 0.03 0.00 -2.93 0.00 0.00 61.98 57.46 3k6s s VAL 446 Cb -0.13 -2.65 0.14 0.00 -1.53 0.00 0.00 36.38 32.21 3k6s s VAL 446 CO 0.14 -0.16 0.30 -0.62 -3.33 0.00 0.00 175.10 171.43 3k6s s ASP 447 N -3.52 3.99 0.38 3.54 -1.08 -1.26 -2.68 116.67 116.05 3k6s s ASP 447 Ca 0.33 -3.01 0.22 0.00 -0.52 0.00 0.00 52.55 49.56 3k6s s ASP 447 Cb 0.06 -1.34 1.27 0.00 -1.46 0.00 0.00 42.92 41.45 3k6s s ASP 447 CO 0.14 -0.22 1.63 1.62 0.52 0.00 0.00 175.17 178.87 3k6s h VAL 448 N 5.16 0.17 0.00 1.11 3.04 -1.90 -3.38 116.25 120.45 3k6s h VAL 448 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3k6s h VAL 448 Cb 0.88 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 3k6s h VAL 448 CO 0.60 0.03 0.00 -0.90 -1.01 0.00 0.00 177.57 176.29 3k6s n ASP 449 N -4.97 0.00 -1.19 3.17 5.68 -1.26 -1.79 116.55 116.20 3k6s n ASP 449 Ca 0.35 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.63 3k6s n ASP 449 Cb 1.22 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 41.17 3k6s n ASP 449 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3k6s n SER 450 N 0.00 -0.01 0.00 -1.12 7.64 -1.26 -4.35 113.62 114.52 3k6s n SER 450 Ca 0.00 -1.96 0.15 0.00 1.01 0.00 0.00 58.87 58.07 3k6s n SER 450 Cb 0.00 -0.00 0.83 0.00 -1.01 0.00 0.00 64.21 64.03 3k6s n SER 450 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3k6s n ASP 451 N 0.23 0.00 0.00 6.43 5.75 -1.26 -4.89 116.55 122.81 3k6s n ASP 451 Ca -0.10 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3k6s n ASP 451 Cb 0.90 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 3k6s n ASP 451 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k6s n GLY 452 N 1.12 1.89 3.18 6.12 0.00 -1.26 -4.97 105.19 111.27 3k6s n GLY 452 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3k6s n GLY 452 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k6s s SER 453 N -3.40 5.80 -0.08 1.61 0.01 -1.26 -4.75 113.70 111.63 3k6s s SER 453 Ca 0.00 -2.77 -0.07 0.00 1.31 0.00 0.00 55.95 54.42 3k6s s SER 453 Cb 0.00 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 3k6s s SER 453 CO 0.00 -0.45 0.30 0.41 0.41 0.00 0.00 173.24 173.91 3k6s n THR 454 N 3.70 0.00 -0.01 1.44 -1.04 -1.11 -4.85 114.28 112.42 3k6s n THR 454 Ca 0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.89 3k6s n THR 454 Cb 0.41 -0.08 -0.14 0.00 -1.82 0.00 0.00 70.33 68.71 3k6s n THR 454 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3k6s n ASP 455 N 0.93 2.10 -3.35 8.00 8.00 -1.14 -4.87 116.55 126.21 3k6s n ASP 455 Ca 0.07 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.60 3k6s n ASP 455 Cb -0.01 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 3k6s n ASP 455 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3k6s s LEU 456 N -7.07 1.31 -0.08 0.64 0.05 -1.09 -1.98 118.68 110.46 3k6s s LEU 456 Ca -0.24 -1.58 -0.04 0.00 0.05 0.00 0.00 54.13 52.32 3k6s s LEU 456 Cb 0.07 1.04 0.04 0.00 -2.05 0.00 0.00 46.19 45.29 3k6s s LEU 456 CO 0.74 -1.18 0.18 -0.69 -0.55 0.00 0.00 176.35 174.85 3k6s s VAL 457 N -3.29 -0.06 0.27 1.48 1.01 -0.38 -1.67 120.40 117.77 3k6s s VAL 457 Ca 0.35 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 3k6s s VAL 457 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3k6s s VAL 457 CO 0.23 0.07 0.49 -0.76 0.00 0.00 0.00 175.10 175.13 3k6s s LEU 458 N 1.27 4.11 0.03 3.92 1.43 -0.28 -0.18 118.68 128.98 3k6s s LEU 458 Ca -0.09 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3k6s s LEU 458 Cb -0.11 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3k6s s LEU 458 CO -0.07 -0.16 -0.04 -0.63 0.23 0.00 0.00 176.35 175.68 3k6s s ILE 459 N -2.07 0.17 0.10 -0.59 1.01 -0.18 -2.26 121.20 117.38 3k6s s ILE 459 Ca 0.40 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 60.09 3k6s s ILE 459 Cb -0.10 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3k6s s ILE 459 CO 0.31 -0.55 -0.15 -0.83 0.00 0.00 0.00 174.94 173.72 3k6s s GLY 460 N -1.66 1.71 -0.46 6.18 0.00 0.65 -0.72 107.32 113.02 3k6s s GLY 460 Ca -0.12 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.38 3k6s s GLY 460 CO -0.02 -1.24 1.07 0.00 0.00 0.00 0.00 173.10 172.91 3k6s n ALA 461 N 0.92 -1.08 -0.22 3.20 0.00 0.22 -1.50 120.51 122.06 3k6s n ALA 461 Ca -0.15 -1.39 0.31 0.00 0.00 0.00 0.00 53.44 52.21 3k6s n ALA 461 Cb 0.52 -1.31 0.72 0.00 0.00 0.00 0.00 19.45 19.39 3k6s n ALA 461 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k6s h PRO 462 N 3.23 0.00 -2.48 0.00 0.11 -1.73 -2.92 132.00 128.21 3k6s h PRO 462 Ca -0.12 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.27 3k6s h PRO 462 Cb 1.09 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.86 3k6s h PRO 462 CO 0.17 0.00 0.19 0.72 -0.21 0.00 0.00 178.00 178.88 3k6s n HIS 463 N -4.06 3.03 -4.14 0.65 8.25 -1.23 -3.91 115.22 113.82 3k6s n HIS 463 Ca 0.21 -3.27 -0.09 0.00 -0.26 0.00 0.00 57.72 54.31 3k6s n HIS 463 Cb 1.10 -0.92 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 3k6s n HIS 463 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3k6s s TYR 464 N -3.06 0.75 -0.09 4.41 5.04 -1.17 -3.49 117.35 119.74 3k6s s TYR 464 Ca 0.38 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 3k6s s TYR 464 Cb 0.14 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.98 3k6s s TYR 464 CO -0.00 -0.24 0.00 2.48 -1.34 0.00 0.00 175.55 176.45 3k6s n TYR 465 N 0.02 0.00 0.00 4.97 4.11 -1.26 -3.86 117.16 121.14 3k6s n TYR 465 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 3k6s n TYR 465 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 3k6s n TYR 465 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 3k6s n GLU 466 N -0.01 0.00 0.00 -3.48 0.28 -1.26 -4.97 120.64 111.20 3k6s n GLU 466 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3k6s n GLU 466 Cb 0.00 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 32.69 3k6s n GLU 466 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k6s n GLN 467 N -1.28 0.12 -4.71 3.44 1.13 -1.26 -5.07 117.38 109.75 3k6s n GLN 467 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 3k6s n GLN 467 Cb 0.00 -0.59 -0.17 0.00 0.11 0.00 0.00 30.24 29.59 3k6s n GLN 467 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k6s s THR 468 N -1.18 1.99 -0.48 5.09 2.01 -1.26 -5.04 115.64 116.76 3k6s s THR 468 Ca 0.00 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 3k6s s THR 468 Cb 0.00 -1.76 0.15 0.00 0.01 0.00 0.00 72.50 70.90 3k6s s THR 468 CO 0.00 0.54 2.50 0.54 -0.69 0.00 0.00 174.62 177.50 3k6s n ARG 469 N 4.02 2.34 -0.26 4.92 1.74 -1.26 -4.61 116.66 123.55 3k6s n ARG 469 Ca -0.20 -2.38 -0.06 0.00 -0.77 0.00 0.00 57.85 54.44 3k6s n ARG 469 Cb 0.52 -2.06 0.05 0.00 -1.02 0.00 0.00 32.46 29.95 3k6s n ARG 469 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3k6s h GLY 470 N 3.43 1.07 0.00 -0.13 0.00 -1.74 0.40 103.07 106.10 3k6s h GLY 470 Ca 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3k6s h GLY 470 CO 0.96 0.49 0.00 0.61 0.00 0.00 0.00 176.54 178.60 3k6s n GLY 471 N -1.01 0.89 3.52 4.60 0.00 -1.25 -2.13 105.19 109.82 3k6s n GLY 471 Ca 0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3k6s n GLY 471 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k6s s GLN 472 N -1.26 0.48 0.00 1.61 2.00 -0.62 -4.77 119.66 117.10 3k6s s GLN 472 Ca 0.00 1.18 0.03 0.00 -2.00 0.00 0.00 55.36 54.57 3k6s s GLN 472 Cb 0.00 0.71 -0.03 0.00 0.80 0.00 0.00 33.01 34.48 3k6s s GLN 472 CO 0.00 -0.20 -0.05 0.08 -0.50 0.00 0.00 175.29 174.62 3k6s s VAL 473 N 2.76 3.76 -0.14 1.34 1.01 -1.11 -0.61 120.40 127.42 3k6s s VAL 473 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3k6s s VAL 473 Cb -0.10 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3k6s s VAL 473 CO -0.18 0.39 -0.13 -0.55 0.00 0.00 0.00 175.10 174.62 3k6s s SER 474 N -1.45 2.59 -0.09 3.32 0.15 0.10 -2.58 113.70 115.74 3k6s s SER 474 Ca 0.18 -0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.14 3k6s s SER 474 Cb -0.11 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 3k6s s SER 474 CO 0.08 -0.06 0.72 0.54 1.20 0.00 0.00 173.24 175.71 3k6s s VAL 475 N 1.51 5.02 -0.33 4.45 0.11 -1.19 -1.01 120.40 128.95 3k6s s VAL 475 Ca 0.05 1.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.56 3k6s s VAL 475 Cb -0.13 -4.05 0.14 0.00 -1.53 0.00 0.00 36.38 30.81 3k6s s VAL 475 CO -0.10 0.21 0.27 0.00 -3.33 0.00 0.00 175.10 172.14 3k6s n PRO 477 N 4.57 -3.00 -3.27 0.00 -0.02 -1.26 -1.24 135.00 130.77 3k6s n PRO 477 Ca 0.06 -0.88 -0.30 0.00 -2.02 0.00 0.00 63.50 60.36 3k6s n PRO 477 Cb 0.42 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 3k6s n PRO 477 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3k6s n LEU 478 N -3.42 4.35 -4.54 2.45 7.94 -0.84 -4.64 117.00 118.30 3k6s n LEU 478 Ca 0.06 -5.45 -0.46 0.00 -1.11 0.00 0.00 56.01 49.06 3k6s n LEU 478 Cb 0.52 -0.75 -0.02 0.00 0.53 0.00 0.00 43.42 43.70 3k6s n LEU 478 CO 0.41 2.05 0.41 -2.65 -1.11 0.00 0.00 177.39 176.50 3k6s n PRO 479 N 0.73 0.97 -4.09 1.96 -0.02 -1.26 -4.99 135.00 128.30 3k6s n PRO 479 Ca 0.30 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 3k6s n PRO 479 Cb 0.39 -1.61 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3k6s n PRO 479 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3k6s s ARG 480 N -1.39 3.27 0.00 -0.52 6.06 -1.26 -4.87 118.95 120.24 3k6s s ARG 480 Ca 0.60 -0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.58 3k6s s ARG 480 Cb -0.77 -3.03 0.00 0.00 0.06 0.00 0.00 34.95 31.22 3k6s s ARG 480 CO 0.59 0.73 0.00 0.41 -2.50 0.00 0.00 175.30 174.53 3k6s n GLY 481 N 2.10 1.28 3.29 8.12 0.00 -1.26 -4.92 105.19 113.80 3k6s n GLY 481 Ca -0.19 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3k6s n GLY 481 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k6s n TRP 482 N 0.00 -1.64 -0.83 1.61 8.01 -1.26 -3.45 117.44 119.88 3k6s n TRP 482 Ca 0.00 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3k6s n TRP 482 Cb 0.00 -1.56 0.00 0.00 -2.01 0.00 0.00 31.31 27.74 3k6s n TRP 482 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3k6s n ARG 483 N -3.00 -0.28 -3.74 -0.99 1.74 -1.09 -4.94 116.66 104.36 3k6s n ARG 483 Ca 0.02 0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 3k6s n ARG 483 Cb 0.58 -3.60 -0.15 0.00 -1.02 0.00 0.00 32.46 28.28 3k6s n ARG 483 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3k6s s ARG 484 N -0.62 0.09 -0.29 5.56 3.52 -1.22 -5.07 118.95 120.91 3k6s s ARG 484 Ca 0.00 0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 55.82 3k6s s ARG 484 Cb 0.00 -0.19 0.18 0.00 -1.56 0.00 0.00 34.95 33.38 3k6s s ARG 484 CO 0.00 -0.18 1.17 -0.46 -0.81 0.00 0.00 175.30 175.02 3k6s s TRP 485 N 1.29 -0.26 -0.10 5.12 -0.00 -1.26 -4.82 118.94 118.89 3k6s s TRP 485 Ca -0.08 0.54 0.01 0.00 -0.00 0.00 0.00 56.10 56.57 3k6s s TRP 485 Cb -0.12 0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.58 3k6s s TRP 485 CO -0.06 -0.13 -0.10 1.67 -0.00 0.00 0.00 176.95 178.33 3k6s s TRP 486 N 0.99 1.59 -2.00 5.86 -2.14 -1.26 -4.83 118.94 117.15 3k6s s TRP 486 Ca -0.06 -0.75 0.08 0.00 2.66 0.00 0.00 56.10 58.02 3k6s s TRP 486 Cb -0.03 -1.24 0.46 0.00 -3.10 0.00 0.00 33.47 29.55 3k6s s TRP 486 CO -0.12 -0.46 0.90 0.00 -2.66 0.00 0.00 176.95 174.61 3k6s n ASP 488 N -0.75 3.94 -3.73 0.00 2.03 -1.26 -4.33 116.55 112.45 3k6s n ASP 488 Ca 0.06 -3.51 -0.42 0.00 0.52 0.00 0.00 54.79 51.44 3k6s n ASP 488 Cb 0.03 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 39.79 3k6s n ASP 488 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k6s n ALA 489 N 0.52 5.70 -0.79 -1.67 0.00 -1.25 -4.91 120.51 118.10 3k6s n ALA 489 Ca 0.30 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3k6s n ALA 489 Cb 0.41 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.50 3k6s n ALA 489 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k6s n VAL 490 N 4.40 0.00 -2.02 0.00 0.31 -1.26 -4.87 118.33 114.89 3k6s n VAL 490 Ca 0.51 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.63 3k6s n VAL 490 Cb 0.37 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.43 3k6s n VAL 490 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k6s n LEU 491 N 0.00 0.00 -3.28 7.52 -0.00 -1.26 -4.92 117.00 115.06 3k6s n LEU 491 Ca 0.00 -1.31 0.03 0.00 -0.00 0.00 0.00 56.01 54.73 3k6s n LEU 491 Cb 0.00 -0.67 -0.03 0.00 -0.00 0.00 0.00 43.42 42.73 3k6s n LEU 491 CO 0.00 -1.09 0.47 -0.72 -0.00 0.00 0.00 177.39 176.05 3k6s s TYR 492 N -2.87 -0.89 0.54 1.47 1.13 -1.26 -3.16 117.35 112.31 3k6s s TYR 492 Ca 0.55 1.18 -0.18 0.00 -1.41 0.00 0.00 57.07 57.22 3k6s s TYR 492 Cb -0.02 0.40 -0.06 0.00 -1.10 0.00 0.00 41.96 41.18 3k6s s TYR 492 CO 0.38 -0.47 1.04 0.20 -2.51 0.00 0.00 175.55 174.19 3k6s s GLY 493 N 2.75 2.29 0.00 5.49 0.00 -1.06 -4.87 107.32 111.91 3k6s s GLY 493 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.21 3k6s s GLY 493 CO -0.16 0.78 0.00 1.18 0.00 0.00 0.00 173.10 174.90 3k6s n GLU 494 N -1.51 0.00 -3.63 2.90 1.02 -1.26 -2.75 120.64 115.41 3k6s n GLU 494 Ca 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 3k6s n GLU 494 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 3k6s n GLU 494 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3k6s s GLN 495 N 4.87 0.13 -1.21 3.49 2.00 -1.26 -5.04 119.66 122.64 3k6s s GLN 495 Ca 0.00 -0.04 -0.04 0.00 -2.00 0.00 0.00 55.36 53.28 3k6s s GLN 495 Cb 0.00 0.06 0.20 0.00 0.80 0.00 0.00 33.01 34.07 3k6s s GLN 495 CO 0.00 -0.06 2.17 0.41 -0.50 0.00 0.00 175.29 177.31 3k6s n GLY 496 N 0.01 5.56 2.99 2.59 0.00 -1.26 -4.48 105.19 110.60 3k6s n GLY 496 Ca 0.03 -2.25 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 3k6s n GLY 496 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k6s s HIS 497 N -2.34 -1.21 0.95 1.61 5.04 -1.26 -5.06 115.29 113.01 3k6s s HIS 497 Ca 0.48 0.84 -0.12 0.00 -1.54 0.00 0.00 55.06 54.73 3k6s s HIS 497 Cb 0.19 0.10 0.07 0.00 0.04 0.00 0.00 32.58 32.98 3k6s s HIS 497 CO -0.11 -0.91 0.61 -2.30 -2.34 0.00 0.00 174.74 169.69 3k6s n PRO 498 N 5.38 -0.39 -4.04 2.88 -0.02 -1.26 -3.47 135.00 134.09 3k6s n PRO 498 Ca -0.00 -0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.14 3k6s n PRO 498 Cb 0.51 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3k6s n PRO 498 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3k6s n TRP 499 N -3.81 -1.62 0.21 6.00 7.02 0.14 -4.70 117.44 120.68 3k6s n TRP 499 Ca 0.08 0.74 0.09 0.00 -1.02 0.00 0.00 57.50 57.39 3k6s n TRP 499 Cb 0.53 -3.50 -0.13 0.00 -2.42 0.00 0.00 31.31 25.79 3k6s n TRP 499 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3k6s n GLY 500 N -1.96 -0.78 3.52 6.99 0.00 -1.16 -4.43 105.19 107.38 3k6s n GLY 500 Ca -0.25 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3k6s n GLY 500 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6s n ARG 501 N -1.94 -1.71 -3.20 1.61 1.74 -1.05 -0.95 116.66 111.15 3k6s n ARG 501 Ca -0.02 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 3k6s n ARG 501 Cb 0.42 -4.78 -0.07 0.00 -1.02 0.00 0.00 32.46 27.00 3k6s n ARG 501 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3k6s s PHE 502 N -3.44 3.19 0.00 -1.55 2.19 -0.90 -3.67 117.98 113.79 3k6s s PHE 502 Ca 0.46 0.31 0.00 0.00 0.33 0.00 0.00 56.93 58.03 3k6s s PHE 502 Cb -0.12 -2.94 0.00 0.00 -1.31 0.00 0.00 43.02 38.64 3k6s s PHE 502 CO 0.82 -0.51 0.00 0.41 1.83 0.00 0.00 175.22 177.76 3k6s n GLY 503 N 4.68 1.33 0.37 13.12 0.00 -0.88 -1.60 105.19 122.21 3k6s n GLY 503 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3k6s n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s h ALA 504 N 0.00 1.72 -2.95 4.61 0.00 -1.63 -3.41 119.26 117.60 3k6s h ALA 504 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3k6s h ALA 504 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3k6s h ALA 504 CO 0.00 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.37 3k6s s ALA 505 N -5.77 -0.28 0.00 0.00 0.00 -1.26 -4.75 121.76 109.70 3k6s s ALA 505 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3k6s s ALA 505 Cb 0.22 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.24 3k6s s ALA 505 CO 0.79 -0.91 0.00 1.47 0.00 0.00 0.00 175.76 177.11 3k6s n LEU 506 N -0.51 0.00 -3.77 0.00 -0.00 -1.26 -1.96 117.00 109.50 3k6s n LEU 506 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 3k6s n LEU 506 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.95 3k6s n LEU 506 CO 0.25 0.00 0.01 0.28 -0.00 0.00 0.00 177.39 177.93 3k6s s THR 507 N -2.00 0.08 0.19 1.47 -1.32 -1.11 -4.87 115.64 108.07 3k6s s THR 507 Ca 0.00 -0.65 -0.31 0.00 -1.21 0.00 0.00 61.69 59.52 3k6s s THR 507 Cb 0.00 -0.84 -0.10 0.00 -1.51 0.00 0.00 72.50 70.05 3k6s s THR 507 CO 0.00 -0.36 1.51 0.54 -2.21 0.00 0.00 174.62 174.10 3k6s s VAL 508 N -2.22 2.70 -0.14 5.08 0.11 -1.26 -2.75 120.40 121.93 3k6s s VAL 508 Ca -0.07 0.53 0.11 0.00 -2.93 0.00 0.00 61.98 59.61 3k6s s VAL 508 Cb -0.02 -3.34 -0.16 0.00 -1.53 0.00 0.00 36.38 31.33 3k6s s VAL 508 CO -0.01 0.06 0.02 -0.11 -3.33 0.00 0.00 175.10 171.72 3k6s n LEU 509 N 3.41 0.39 0.00 2.54 7.94 -0.95 -4.18 117.00 126.15 3k6s n LEU 509 Ca 0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 3k6s n LEU 509 Cb 0.39 0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3k6s n LEU 509 CO 0.61 0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.89 3k6s n GLY 510 N 2.24 -1.09 3.57 -3.96 0.00 -0.87 -4.25 105.19 100.83 3k6s n GLY 510 Ca -0.23 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3k6s n GLY 510 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k6s s ASP 511 N -4.00 6.50 -0.12 1.61 -1.08 -1.26 -0.79 116.67 117.53 3k6s s ASP 511 Ca 0.00 0.14 0.02 0.00 -0.52 0.00 0.00 52.55 52.19 3k6s s ASP 511 Cb 0.00 -2.50 -0.08 0.00 -1.46 0.00 0.00 42.92 38.88 3k6s s ASP 511 CO 0.00 -1.21 -0.09 1.33 0.52 0.00 0.00 175.17 175.72 3k6s n VAL 512 N 6.56 0.68 1.10 1.11 0.24 -1.26 -4.64 118.33 122.11 3k6s n VAL 512 Ca 0.08 -0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.21 3k6s n VAL 512 Cb 0.49 -0.90 0.15 0.00 -1.47 0.00 0.00 33.84 32.10 3k6s n VAL 512 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3k6s n ASN 513 N -2.78 1.99 -0.04 -1.34 0.23 -1.26 -4.58 115.26 107.49 3k6s n ASN 513 Ca -0.20 -1.50 -0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3k6s n ASN 513 Cb 0.74 0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 38.69 3k6s n ASN 513 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k6s n GLY 514 N 1.36 0.47 1.87 4.83 0.00 -1.26 -4.80 105.19 107.66 3k6s n GLY 514 Ca 0.12 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 3k6s n GLY 514 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k6s n ASP 515 N 0.78 3.62 0.00 1.61 5.68 -1.26 -4.86 116.55 122.12 3k6s n ASP 515 Ca -0.00 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.15 3k6s n ASP 515 Cb 0.03 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 3k6s n ASP 515 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k6s n LYS 516 N -0.61 -1.24 -3.87 0.11 4.76 -1.26 -4.93 118.16 111.12 3k6s n LYS 516 Ca 0.42 0.31 -0.34 0.00 -2.87 0.00 0.00 58.31 55.83 3k6s n LYS 516 Cb 1.33 -4.50 -0.13 0.00 -1.84 0.00 0.00 35.03 29.90 3k6s n LYS 516 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k6s s LEU 517 N 0.00 4.97 0.56 -0.35 1.43 -1.26 -4.51 118.68 119.52 3k6s s LEU 517 Ca 0.00 -2.01 -0.18 0.00 -1.03 0.00 0.00 54.13 50.92 3k6s s LEU 517 Cb 0.00 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 3k6s s LEU 517 CO 0.00 -0.47 0.23 1.07 0.23 0.00 0.00 176.35 177.42 3k6s n THR 518 N 4.48 1.26 -4.33 5.49 5.66 -0.74 -4.45 114.28 121.66 3k6s n THR 518 Ca -0.01 -0.49 -0.19 0.00 -3.05 0.00 0.00 64.05 60.30 3k6s n THR 518 Cb 0.42 -0.39 -0.13 0.00 -1.55 0.00 0.00 70.33 68.68 3k6s n THR 518 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3k6s s ASP 519 N -1.11 1.56 0.26 1.09 1.01 0.03 -2.37 116.67 117.12 3k6s s ASP 519 Ca 0.63 -0.45 0.12 0.00 0.71 0.00 0.00 52.55 53.56 3k6s s ASP 519 Cb -0.46 -0.09 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 3k6s s ASP 519 CO 0.60 0.02 -0.20 0.68 0.21 0.00 0.00 175.17 176.47 3k6s s VAL 520 N -0.85 2.40 0.12 -1.27 -7.23 -1.09 -2.06 120.40 110.43 3k6s s VAL 520 Ca 0.01 -2.32 0.10 0.00 -1.81 0.00 0.00 61.98 57.96 3k6s s VAL 520 Cb -0.08 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3k6s s VAL 520 CO 0.01 -0.35 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.55 3k6s s VAL 521 N -2.37 2.64 -0.07 1.32 1.01 -1.11 -2.21 120.40 119.62 3k6s s VAL 521 Ca 0.28 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3k6s s VAL 521 Cb -0.05 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3k6s s VAL 521 CO 0.13 0.11 0.18 -0.63 0.00 0.00 0.00 175.10 174.89 3k6s s ILE 522 N -1.10 -0.04 0.47 2.22 1.01 -0.84 -2.77 121.20 120.16 3k6s s ILE 522 Ca 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3k6s s ILE 522 Cb -0.10 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3k6s s ILE 522 CO 0.08 0.05 0.73 -0.83 0.00 0.00 0.00 174.94 174.98 3k6s s GLY 523 N 0.94 1.53 -0.43 6.18 0.00 -0.83 -0.49 107.32 114.22 3k6s s GLY 523 Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3k6s s GLY 523 CO -0.05 -0.67 0.96 0.00 0.00 0.00 0.00 173.10 173.34 3k6s n ALA 524 N -2.19 -2.66 0.95 3.20 0.00 -0.25 -2.07 120.51 117.49 3k6s n ALA 524 Ca 0.01 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 52.88 3k6s n ALA 524 Cb 0.57 -2.30 0.46 0.00 0.00 0.00 0.00 19.45 18.17 3k6s n ALA 524 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k6s n PRO 525 N 2.32 0.45 0.00 0.00 -0.02 -1.25 -2.33 135.00 134.17 3k6s n PRO 525 Ca 0.11 0.02 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 3k6s n PRO 525 Cb 0.63 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.52 3k6s n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k6s n GLY 526 N -0.01 -0.83 3.40 -1.23 0.00 -0.13 -3.97 105.19 102.43 3k6s n GLY 526 Ca 0.11 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3k6s n GLY 526 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k6s n GLU 527 N -1.24 -0.96 0.00 1.61 -0.58 -1.04 -3.83 120.64 114.60 3k6s n GLU 527 Ca 0.05 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 3k6s n GLU 527 Cb 0.35 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 3k6s n GLU 527 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3k6s n GLU 528 N -2.42 0.00 -1.94 3.49 1.02 -1.26 -1.43 120.64 118.09 3k6s n GLU 528 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3k6s n GLU 528 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.97 3k6s n GLU 528 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3k6s n GLU 529 N 0.00 2.74 0.00 3.49 0.28 -1.26 -4.28 120.64 121.61 3k6s n GLU 529 Ca 0.00 -2.72 0.00 0.00 -0.16 0.00 0.00 57.16 54.28 3k6s n GLU 529 Cb 0.00 -3.34 0.00 0.00 1.43 0.00 0.00 31.44 29.53 3k6s n GLU 529 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3k6s n ASN 530 N 7.40 0.00 -4.40 -1.84 5.15 -1.15 -4.96 115.26 115.47 3k6s n ASN 530 Ca 0.50 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.17 3k6s n ASN 530 Cb 0.42 -0.67 0.19 0.00 -0.53 0.00 0.00 39.78 39.19 3k6s n ASN 530 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k6s n ARG 531 N -1.84 -1.51 -2.29 1.20 5.12 -0.52 -3.79 116.66 113.03 3k6s n ARG 531 Ca 0.00 -0.41 -0.27 0.00 -1.93 0.00 0.00 57.85 55.24 3k6s n ARG 531 Cb 0.00 -1.93 0.16 0.00 -1.16 0.00 0.00 32.46 29.53 3k6s n ARG 531 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3k6s s GLY 532 N -2.11 1.78 -0.21 -0.13 0.00 -0.97 -2.48 107.32 103.20 3k6s s GLY 532 Ca 0.61 -1.58 -0.32 0.00 0.00 0.00 0.00 44.72 43.43 3k6s s GLY 532 CO 0.65 -0.87 1.20 0.00 0.00 0.00 0.00 173.10 174.08 3k6s s ALA 533 N -3.54 -2.05 0.06 3.20 0.00 -0.99 -1.83 121.76 116.60 3k6s s ALA 533 Ca 0.72 1.69 -0.08 0.00 0.00 0.00 0.00 51.96 54.29 3k6s s ALA 533 Cb -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3k6s s ALA 533 CO 0.49 -0.40 0.15 0.08 0.00 0.00 0.00 175.76 176.08 3k6s s VAL 534 N -1.60 0.13 0.12 0.00 1.01 -0.79 -1.09 120.40 118.18 3k6s s VAL 534 Ca 0.06 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3k6s s VAL 534 Cb -0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3k6s s VAL 534 CO -0.04 -0.61 -0.10 -0.31 0.00 0.00 0.00 175.10 174.03 3k6s s TYR 535 N -3.11 1.17 -0.07 5.22 2.02 0.35 -3.38 117.35 119.55 3k6s s TYR 535 Ca -0.01 -0.71 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 3k6s s TYR 535 Cb 0.02 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3k6s s TYR 535 CO -0.07 0.04 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.74 3k6s s LEU 536 N -2.80 1.06 0.42 -1.29 2.96 -1.19 -1.98 118.68 115.86 3k6s s LEU 536 Ca 0.11 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3k6s s LEU 536 Cb -0.00 -0.57 -0.06 0.00 0.50 0.00 0.00 46.19 46.06 3k6s s LEU 536 CO 0.00 -0.11 0.02 -0.36 -1.32 0.00 0.00 176.35 174.58 3k6s s PHE 537 N 1.46 2.23 0.07 5.38 0.40 -0.94 -2.42 117.98 124.16 3k6s s PHE 537 Ca -0.02 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.51 3k6s s PHE 537 Cb -0.13 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 3k6s s PHE 537 CO -0.03 0.29 -0.07 -1.01 0.70 0.00 0.00 175.22 175.09 3k6s s HIS 538 N -2.86 0.78 0.20 0.36 3.76 -1.26 -2.66 115.29 113.60 3k6s s HIS 538 Ca 0.27 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.45 3k6s s HIS 538 Cb 0.07 -0.46 0.05 0.00 1.11 0.00 0.00 32.58 33.35 3k6s s HIS 538 CO 0.13 -0.11 0.24 0.41 -0.85 0.00 0.00 174.74 174.56 3k6s n GLY 539 N 0.76 -1.60 0.00 -2.22 0.00 -1.00 -1.34 105.19 99.80 3k6s n GLY 539 Ca -0.18 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3k6s n GLY 539 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k6s n VAL 540 N -2.53 0.00 -3.28 1.61 0.31 -1.25 -4.64 118.33 108.55 3k6s n VAL 540 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.30 3k6s n VAL 540 Cb 0.11 -0.01 -0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3k6s n VAL 540 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k6s s LEU 541 N -1.85 -0.92 0.00 7.52 1.43 -1.26 -5.01 118.68 118.60 3k6s s LEU 541 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3k6s s LEU 541 Cb 0.00 1.32 0.00 0.00 0.03 0.00 0.00 46.19 47.54 3k6s s LEU 541 CO 0.00 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.86 3k6s n GLY 542 N 5.37 0.76 3.55 -3.19 0.00 -1.26 -4.65 105.19 105.78 3k6s n GLY 542 Ca 0.00 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3k6s n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k6s s PRO 543 N 0.00 2.98 0.00 1.61 0.04 -1.26 -4.73 135.00 133.64 3k6s s PRO 543 Ca 0.00 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.00 3k6s s PRO 543 Cb 0.00 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.10 3k6s s PRO 543 CO 0.00 -2.46 0.00 -1.13 0.04 0.00 0.00 177.00 173.45 3k6s n SER 544 N 10.88 0.00 -4.13 6.66 3.41 -1.26 -5.01 113.62 124.17 3k6s n SER 544 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 3k6s n SER 544 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3k6s n SER 544 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3k6s s ILE 545 N -2.00 0.23 -0.43 -1.33 -4.36 -1.26 -3.94 121.20 108.10 3k6s s ILE 545 Ca 0.00 -1.87 -0.20 0.00 -0.26 0.00 0.00 60.65 58.32 3k6s s ILE 545 Cb 0.00 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3k6s s ILE 545 CO 0.00 -0.72 0.57 -0.55 0.24 0.00 0.00 174.94 174.48 3k6s s SER 546 N -3.00 6.28 0.22 4.36 0.15 -0.45 -4.94 113.70 116.32 3k6s s SER 546 Ca 0.16 -0.46 -0.11 0.00 0.70 0.00 0.00 55.95 56.24 3k6s s SER 546 Cb 0.07 -2.29 0.30 0.00 -1.71 0.00 0.00 66.02 62.40 3k6s s SER 546 CO -0.04 -0.71 1.65 -0.65 1.20 0.00 0.00 173.24 174.69 3k6s h PRO 547 N 8.83 0.09 -6.26 5.44 0.11 -1.97 -3.38 132.00 134.86 3k6s h PRO 547 Ca -0.26 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.29 3k6s h PRO 547 Cb 1.10 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3k6s h PRO 547 CO 0.86 0.06 1.09 -1.12 -0.21 0.00 0.00 178.00 178.68 3k6s s SER 548 N -5.23 6.53 0.63 -2.05 0.01 -1.26 -4.84 113.70 107.49 3k6s s SER 548 Ca -0.14 1.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.81 3k6s s SER 548 Cb 0.19 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3k6s s SER 548 CO 0.74 -1.10 1.02 -1.38 0.41 0.00 0.00 173.24 172.92 3k6s s HIS 549 N 4.67 3.54 -0.16 2.43 -3.43 -1.26 -4.84 115.29 116.24 3k6s s HIS 549 Ca 0.70 1.16 0.14 0.00 -0.80 0.00 0.00 55.06 56.26 3k6s s HIS 549 Cb -0.27 -2.77 -0.24 0.00 -1.43 0.00 0.00 32.58 27.88 3k6s s HIS 549 CO 0.27 -0.78 0.23 -1.13 -2.00 0.00 0.00 174.74 171.33 3k6s n SER 550 N -2.76 0.49 -4.16 7.38 3.41 -1.02 -4.99 113.62 111.97 3k6s n SER 550 Ca 0.06 0.11 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 3k6s n SER 550 Cb 0.55 0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 64.91 3k6s n SER 550 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3k6s s GLN 551 N -2.53 0.80 -0.40 4.33 0.74 -1.26 -4.82 119.66 116.52 3k6s s GLN 551 Ca -0.11 -1.21 0.10 0.00 0.05 0.00 0.00 55.36 54.19 3k6s s GLN 551 Cb 0.07 -0.30 0.36 0.00 1.10 0.00 0.00 33.01 34.23 3k6s s GLN 551 CO 0.81 0.02 0.96 -2.13 -0.55 0.00 0.00 175.29 174.40 3k6s n ARG 552 N 0.32 1.03 -1.59 1.67 0.63 -1.26 -3.15 116.66 114.31 3k6s n ARG 552 Ca -0.15 -2.69 -0.43 0.00 -0.92 0.00 0.00 57.85 53.67 3k6s n ARG 552 Cb 0.59 -1.24 -0.03 0.00 0.45 0.00 0.00 32.46 32.23 3k6s n ARG 552 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3k6s n ILE 553 N 0.17 0.32 -3.66 5.15 5.41 -1.22 -4.79 119.36 120.75 3k6s n ILE 553 Ca 0.13 -0.47 -0.03 0.00 1.00 0.00 0.00 62.75 63.39 3k6s n ILE 553 Cb 0.71 -2.54 -0.00 0.00 -0.71 0.00 0.00 39.64 37.11 3k6s n ILE 553 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k6s n ALA 554 N 11.77 0.07 0.80 -1.39 0.00 -1.26 -1.88 120.51 128.61 3k6s n ALA 554 Ca 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 3k6s n ALA 554 Cb 0.44 0.09 0.03 0.00 0.00 0.00 0.00 19.45 20.01 3k6s n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6s n GLY 555 N 4.40 1.88 0.72 0.00 0.00 -0.76 -3.00 105.19 108.42 3k6s n GLY 555 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3k6s n GLY 555 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k6s n SER 556 N 0.17 2.88 -3.61 1.61 7.64 -1.26 -4.57 113.62 116.47 3k6s n SER 556 Ca 0.04 -1.89 -0.41 0.00 1.01 0.00 0.00 58.87 57.62 3k6s n SER 556 Cb 0.45 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3k6s n SER 556 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k6s n GLN 557 N 0.73 4.28 -2.62 1.43 1.13 -1.16 -4.64 117.38 116.53 3k6s n GLN 557 Ca 0.13 -3.50 -0.03 0.00 -1.94 0.00 0.00 57.00 51.65 3k6s n GLN 557 Cb 0.43 -2.72 -0.00 0.00 0.11 0.00 0.00 30.24 28.05 3k6s n GLN 557 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3k6s n LEU 558 N 2.41 -0.13 -4.58 1.08 4.77 -1.26 -4.79 117.00 114.50 3k6s n LEU 558 Ca 0.54 0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 56.52 3k6s n LEU 558 Cb 0.29 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 3k6s n LEU 558 CO 0.73 -0.00 1.78 -0.55 -1.33 0.00 0.00 177.39 178.03 3k6s s SER 559 N -2.08 6.22 0.07 -1.43 0.15 -1.26 -4.87 113.70 110.51 3k6s s SER 559 Ca 0.05 -2.10 -0.14 0.00 0.70 0.00 0.00 55.95 54.46 3k6s s SER 559 Cb -0.03 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 3k6s s SER 559 CO 0.06 -1.82 0.77 -1.20 1.20 0.00 0.00 173.24 172.26 3k6s n SER 560 N 10.40 -0.49 -2.92 5.45 7.64 -1.26 -3.67 113.62 128.78 3k6s n SER 560 Ca 0.46 0.88 -0.12 0.00 1.01 0.00 0.00 58.87 61.11 3k6s n SER 560 Cb 0.47 -0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3k6s n SER 560 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3k6s n ARG 561 N -4.42 0.62 -4.96 1.43 1.74 -1.26 -5.10 116.66 104.72 3k6s n ARG 561 Ca 0.01 -2.28 -0.30 0.00 -0.77 0.00 0.00 57.85 54.51 3k6s n ARG 561 Cb 0.12 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 3k6s n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k6s s LEU 562 N -0.25 2.15 -0.05 0.55 1.43 -1.24 -5.09 118.68 116.18 3k6s s LEU 562 Ca 0.32 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3k6s s LEU 562 Cb 0.13 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3k6s s LEU 562 CO -0.16 0.27 -0.05 -0.61 0.23 0.00 0.00 176.35 176.02 3k6s h GLN 563 N 4.88 0.00 -4.80 1.70 4.15 -1.89 -3.42 115.11 115.74 3k6s h GLN 563 Ca -0.46 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.32 3k6s h GLN 563 Cb 1.14 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.47 3k6s h GLN 563 CO 0.44 0.00 -0.83 1.52 -1.93 0.00 0.00 178.83 178.03 3k6s s TYR 564 N -1.43 2.54 0.00 3.99 -0.85 -1.25 -2.29 117.35 118.07 3k6s s TYR 564 Ca -0.04 -1.56 0.07 0.00 -0.52 0.00 0.00 57.07 55.01 3k6s s TYR 564 Cb 0.01 -1.75 -0.02 0.00 0.38 0.00 0.00 41.96 40.58 3k6s s TYR 564 CO 0.06 -0.76 -0.21 -0.59 -1.52 0.00 0.00 175.55 172.53 3k6s s PHE 565 N 1.36 1.89 0.00 -3.49 -0.12 -1.26 -3.36 117.98 112.99 3k6s s PHE 565 Ca 0.02 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3k6s s PHE 565 Cb -0.14 -1.19 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 3k6s s PHE 565 CO -0.10 0.00 0.00 0.41 -0.05 0.00 0.00 175.22 175.48 3k6s n GLY 566 N 2.36 0.79 0.21 1.99 0.00 -0.50 -2.43 105.19 107.61 3k6s n GLY 566 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 3k6s n GLY 566 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k6s n GLN 567 N -0.91 -0.15 -4.23 1.61 6.02 -1.24 -4.46 117.38 114.02 3k6s n GLN 567 Ca 0.00 0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 57.67 3k6s n GLN 567 Cb 0.00 -1.21 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 3k6s n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k6s s ALA 568 N -5.46 1.31 -0.26 -1.58 0.00 -1.26 -4.02 121.76 110.49 3k6s s ALA 568 Ca -0.07 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 49.98 3k6s s ALA 568 Cb 0.10 0.84 0.16 0.00 0.00 0.00 0.00 23.12 24.22 3k6s s ALA 568 CO 0.37 -0.42 1.21 -0.48 0.00 0.00 0.00 175.76 176.43 3k6s s LEU 569 N -3.18 -0.24 -0.12 0.00 0.05 -1.26 -1.94 118.68 111.99 3k6s s LEU 569 Ca 0.29 0.40 -0.08 0.00 0.05 0.00 0.00 54.13 54.80 3k6s s LEU 569 Cb 0.07 1.51 0.04 0.00 -2.05 0.00 0.00 46.19 45.76 3k6s s LEU 569 CO 0.07 -0.13 0.29 -0.44 -0.55 0.00 0.00 176.35 175.59 3k6s s SER 570 N -0.32 -0.33 0.33 1.48 0.01 -0.84 -4.30 113.70 109.74 3k6s s SER 570 Ca 0.04 0.62 -0.00 0.00 1.31 0.00 0.00 55.95 57.92 3k6s s SER 570 Cb -0.03 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 3k6s s SER 570 CO -0.08 -0.15 0.41 -0.83 0.41 0.00 0.00 173.24 173.00 3k6s s GLY 571 N 0.96 1.68 0.00 3.44 0.00 -1.26 -2.83 107.32 109.32 3k6s s GLY 571 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3k6s s GLY 571 CO -0.07 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.52 3k6s n GLY 572 N -0.56 1.35 3.69 0.20 0.00 -0.89 -4.53 105.19 104.45 3k6s n GLY 572 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3k6s n GLY 572 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k6s s GLN 573 N 0.00 2.92 -0.53 1.61 1.11 -1.26 -4.72 119.66 118.79 3k6s s GLN 573 Ca 0.00 -0.49 -0.22 0.00 0.01 0.00 0.00 55.36 54.66 3k6s s GLN 573 Cb 0.00 -2.75 0.05 0.00 -1.01 0.00 0.00 33.01 29.30 3k6s s GLN 573 CO 0.00 0.67 0.79 0.34 0.01 0.00 0.00 175.29 177.10 3k6s s ASP 574 N -1.23 6.29 -0.11 5.90 2.15 -1.26 -1.75 116.67 126.66 3k6s s ASP 574 Ca 0.17 -0.59 0.07 0.00 0.43 0.00 0.00 52.55 52.62 3k6s s ASP 574 Cb -0.11 -2.37 -0.12 0.00 -0.30 0.00 0.00 42.92 40.02 3k6s s ASP 574 CO 0.06 -1.07 -0.01 0.00 -0.17 0.00 0.00 175.17 173.99 3k6s n LEU 575 N 6.86 0.90 0.00 -1.34 -0.00 -1.25 -4.37 117.00 117.80 3k6s n LEU 575 Ca -0.02 -0.02 0.14 0.00 -0.00 0.00 0.00 56.01 56.11 3k6s n LEU 575 Cb 0.47 0.04 0.67 0.00 -0.00 0.00 0.00 43.42 44.60 3k6s n LEU 575 CO 0.59 0.40 0.97 0.35 -0.00 0.00 0.00 177.39 179.70 3k6s n THR 576 N -2.54 0.08 -0.79 1.47 -2.24 -1.26 -4.77 114.28 104.23 3k6s n THR 576 Ca -0.19 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3k6s n THR 576 Cb 0.82 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3k6s n THR 576 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k6s n GLN 577 N -1.36 -0.52 -2.54 -0.78 6.02 -1.26 -4.95 117.38 111.99 3k6s n GLN 577 Ca 0.11 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.81 3k6s n GLN 577 Cb 0.26 -4.06 -0.03 0.00 1.02 0.00 0.00 30.24 27.44 3k6s n GLN 577 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3k6s s ASP 578 N -2.20 7.15 0.03 1.08 1.47 -1.26 -4.91 116.67 118.04 3k6s s ASP 578 Ca 0.00 1.77 -0.05 0.00 1.18 0.00 0.00 52.55 55.45 3k6s s ASP 578 Cb 0.00 -2.56 -0.00 0.00 -0.34 0.00 0.00 42.92 40.01 3k6s s ASP 578 CO 0.00 -0.47 0.27 0.61 0.68 0.00 0.00 175.17 176.25 3k6s n GLY 579 N 3.20 -0.43 3.93 2.12 0.00 -1.26 -4.70 105.19 108.03 3k6s n GLY 579 Ca 0.09 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 3k6s n GLY 579 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k6s s LEU 580 N -8.44 2.88 1.02 0.99 2.96 -1.26 -4.89 118.68 111.95 3k6s s LEU 580 Ca -0.02 0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 3k6s s LEU 580 Cb 0.02 -3.20 0.16 0.00 0.50 0.00 0.00 46.19 43.68 3k6s s LEU 580 CO 0.11 -1.51 0.82 1.33 -1.32 0.00 0.00 176.35 175.78 3k6s n VAL 581 N -2.87 0.00 -4.38 1.68 0.24 -1.26 -4.63 118.33 107.11 3k6s n VAL 581 Ca 0.07 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 61.98 3k6s n VAL 581 Cb 0.60 -0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 31.99 3k6s n VAL 581 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3k6s s ASP 582 N -2.35 2.33 -0.02 -1.34 1.01 -0.72 -3.61 116.67 111.98 3k6s s ASP 582 Ca 0.64 -1.19 0.05 0.00 0.71 0.00 0.00 52.55 52.77 3k6s s ASP 582 Cb -0.22 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.61 3k6s s ASP 582 CO 0.63 -0.40 -0.18 -0.22 0.21 0.00 0.00 175.17 175.21 3k6s s LEU 583 N -3.37 2.02 -0.16 1.23 2.96 -0.82 -2.10 118.68 118.44 3k6s s LEU 583 Ca 0.28 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3k6s s LEU 583 Cb 0.04 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.82 3k6s s LEU 583 CO 0.10 0.21 -0.21 0.00 -1.32 0.00 0.00 176.35 175.13 3k6s s ALA 584 N -0.35 2.27 -0.16 5.97 0.00 -1.13 -1.30 121.76 127.07 3k6s s ALA 584 Ca 0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3k6s s ALA 584 Cb -0.08 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3k6s s ALA 584 CO -0.00 -0.21 -0.18 0.08 0.00 0.00 0.00 175.76 175.44 3k6s s VAL 585 N 1.09 1.87 0.39 0.00 1.01 -0.89 -1.98 120.40 121.89 3k6s s VAL 585 Ca -0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 3k6s s VAL 585 Cb -0.14 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3k6s s VAL 585 CO -0.08 0.51 0.90 -0.83 0.00 0.00 0.00 175.10 175.60 3k6s s GLY 586 N 1.28 2.44 0.10 4.51 0.00 -0.82 -1.93 107.32 112.91 3k6s s GLY 586 Ca 0.03 0.34 -0.07 0.00 0.00 0.00 0.00 44.72 45.02 3k6s s GLY 586 CO -0.10 0.64 0.18 0.00 0.00 0.00 0.00 173.10 173.81 3k6s s ALA 587 N -2.04 -0.04 -0.17 3.20 0.00 -0.46 -1.40 121.76 120.84 3k6s s ALA 587 Ca 0.58 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 3k6s s ALA 587 Cb -0.11 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 3k6s s ALA 587 CO 0.16 -0.52 2.17 -2.13 0.00 0.00 0.00 175.76 175.43 3k6s n ARG 588 N -0.08 2.10 0.00 0.00 0.63 -1.21 -2.62 116.66 115.48 3k6s n ARG 588 Ca -0.13 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 3k6s n ARG 588 Cb 0.62 -3.14 0.00 0.00 0.45 0.00 0.00 32.46 30.40 3k6s n ARG 588 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k6s n GLY 589 N 5.54 3.00 3.24 5.14 0.00 -1.07 -4.82 105.19 116.21 3k6s n GLY 589 Ca 0.28 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3k6s n GLY 589 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k6s s GLN 590 N 0.00 1.14 -0.02 1.61 -2.07 -1.08 -3.24 119.66 116.01 3k6s s GLN 590 Ca 0.00 -1.57 0.01 0.00 -1.82 0.00 0.00 55.36 51.98 3k6s s GLN 590 Cb 0.00 -0.18 0.01 0.00 -1.09 0.00 0.00 33.01 31.75 3k6s s GLN 590 CO 0.00 -0.19 -0.04 0.54 -1.32 0.00 0.00 175.29 174.28 3k6s s VAL 591 N -3.74 0.41 0.24 3.63 0.11 -0.45 -1.35 120.40 119.24 3k6s s VAL 591 Ca 0.27 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 3k6s s VAL 591 Cb 0.07 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3k6s s VAL 591 CO 0.06 0.16 0.17 -0.76 -3.33 0.00 0.00 175.10 171.41 3k6s s LEU 592 N 0.52 3.77 -0.18 2.54 1.02 -0.81 -2.14 118.68 123.40 3k6s s LEU 592 Ca -0.06 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.83 3k6s s LEU 592 Cb -0.10 -2.31 0.03 0.00 0.02 0.00 0.00 46.19 43.84 3k6s s LEU 592 CO -0.00 -0.02 -0.12 -0.76 0.02 0.00 0.00 176.35 175.47 3k6s s LEU 593 N -3.75 2.00 -0.32 1.79 1.43 -0.99 -2.09 118.68 116.76 3k6s s LEU 593 Ca 0.32 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 3k6s s LEU 593 Cb -0.08 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.95 3k6s s LEU 593 CO 0.24 -0.11 0.14 -0.76 0.23 0.00 0.00 176.35 176.09 3k6s s LEU 594 N 1.44 4.18 0.76 1.79 1.02 -0.42 -3.64 118.68 123.83 3k6s s LEU 594 Ca 0.01 -0.75 -0.12 0.00 0.02 0.00 0.00 54.13 53.30 3k6s s LEU 594 Cb -0.15 -1.96 0.05 0.00 0.02 0.00 0.00 46.19 44.16 3k6s s LEU 594 CO -0.09 -0.25 1.11 -0.13 0.02 0.00 0.00 176.35 177.01 3k6s s ARG 595 N 1.54 2.38 -0.29 1.70 0.52 -1.26 -1.94 118.95 121.60 3k6s s ARG 595 Ca 0.03 0.43 -0.07 0.00 -0.52 0.00 0.00 55.73 55.60 3k6s s ARG 595 Cb -0.18 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.32 3k6s s ARG 595 CO 0.05 -1.37 0.09 0.95 0.02 0.00 0.00 175.30 175.04 3k6s s THR 596 N -3.34 4.16 0.18 0.02 -4.23 -1.24 -2.00 115.64 109.19 3k6s s THR 596 Ca 0.60 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 3k6s s THR 596 Cb -0.12 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.55 3k6s s THR 596 CO 0.52 0.14 1.08 -0.13 -0.54 0.00 0.00 174.62 175.68 3k6s s ARG 597 N 1.55 4.62 0.08 3.99 1.81 -0.65 -4.85 118.95 125.49 3k6s s ARG 597 Ca 0.04 1.68 -0.31 0.00 -1.72 0.00 0.00 55.73 55.43 3k6s s ARG 597 Cb -0.17 -3.28 -0.10 0.00 -0.45 0.00 0.00 34.95 30.95 3k6s s ARG 597 CO 0.03 0.12 1.92 -2.30 -0.68 0.00 0.00 175.30 174.39 3k6s n PRO 598 N 2.32 2.86 -3.46 3.54 -0.02 -1.25 -4.77 135.00 134.21 3k6s n PRO 598 Ca 0.02 1.04 -0.43 0.00 -2.02 0.00 0.00 63.50 62.12 3k6s n PRO 598 Cb 0.46 -2.98 -0.09 0.00 -0.02 0.00 0.00 33.50 30.88 3k6s n PRO 598 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k6s s VAL 599 N 3.74 4.99 0.05 -1.45 -7.23 -1.26 -2.00 120.40 117.24 3k6s s VAL 599 Ca 0.86 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 3k6s s VAL 599 Cb -0.45 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 32.51 3k6s s VAL 599 CO 0.40 -0.50 0.03 -1.48 -0.31 0.00 0.00 175.10 173.25 3k6s s LEU 600 N 1.60 3.63 0.20 1.32 0.05 -1.07 -4.81 118.68 119.60 3k6s s LEU 600 Ca 0.04 -0.05 0.05 0.00 0.05 0.00 0.00 54.13 54.22 3k6s s LEU 600 Cb -0.23 -2.26 -0.05 0.00 -2.05 0.00 0.00 46.19 41.61 3k6s s LEU 600 CO 0.06 0.21 -0.07 -1.66 -0.55 0.00 0.00 176.35 174.35 3k6s s TRP 601 N -1.27 1.51 0.11 3.48 -2.14 -1.26 -4.24 118.94 115.13 3k6s s TRP 601 Ca 0.25 -0.79 0.06 0.00 2.66 0.00 0.00 56.10 58.28 3k6s s TRP 601 Cb -0.12 -0.81 -0.04 0.00 -3.10 0.00 0.00 33.47 29.41 3k6s s TRP 601 CO 0.17 0.10 -0.14 0.54 -2.66 0.00 0.00 176.95 174.96 3k6s s VAL 602 N -3.28 1.30 0.16 -0.66 0.11 -1.26 -4.14 120.40 112.63 3k6s s VAL 602 Ca 0.23 -1.63 0.06 0.00 -2.93 0.00 0.00 61.98 57.71 3k6s s VAL 602 Cb 0.03 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 3k6s s VAL 602 CO 0.06 -0.37 0.08 -0.83 -3.33 0.00 0.00 175.10 170.71 3k6s s GLY 603 N -2.30 1.74 0.05 6.54 0.00 -0.13 -5.00 107.32 108.22 3k6s s GLY 603 Ca 0.07 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3k6s s GLY 603 CO 0.03 -1.27 -0.07 0.54 0.00 0.00 0.00 173.10 172.33 3k6s s VAL 604 N -1.72 0.48 -0.02 1.40 0.11 -1.26 -2.38 120.40 117.01 3k6s s VAL 604 Ca 0.29 -1.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 3k6s s VAL 604 Cb -0.10 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3k6s s VAL 604 CO 0.21 -0.49 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.47 3k6s s SER 605 N -1.80 1.17 0.04 3.54 1.04 -1.05 -5.00 113.70 111.64 3k6s s SER 605 Ca -0.07 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.23 3k6s s SER 605 Cb -0.07 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 3k6s s SER 605 CO -0.01 0.07 -0.17 -0.04 0.98 0.00 0.00 173.24 174.07 3k6s s MET 606 N 0.12 1.15 0.08 4.02 -1.94 -1.26 -1.65 119.30 119.82 3k6s s MET 606 Ca -0.02 -0.83 -0.26 0.00 -1.71 0.00 0.00 55.69 52.87 3k6s s MET 606 Cb -0.08 -1.21 0.07 0.00 2.01 0.00 0.00 34.83 35.63 3k6s s MET 606 CO 0.00 0.30 0.64 -1.14 -0.01 0.00 0.00 175.02 174.82 3k6s s GLN 607 N -1.12 1.19 -0.33 2.03 0.74 -0.89 -5.02 119.66 116.26 3k6s s GLN 607 Ca 0.04 -0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.26 3k6s s GLN 607 Cb -0.08 0.55 0.09 0.00 1.10 0.00 0.00 33.01 34.67 3k6s s GLN 607 CO 0.01 -0.47 0.03 -0.06 -0.55 0.00 0.00 175.29 174.25 3k6s s PHE 608 N -2.86 3.58 0.11 1.67 0.08 -1.26 -1.32 117.98 117.98 3k6s s PHE 608 Ca -0.03 -2.65 -0.21 0.00 0.12 0.00 0.00 56.93 54.17 3k6s s PHE 608 Cb -0.01 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 3k6s s PHE 608 CO -0.05 -0.92 1.32 -0.89 -0.10 0.00 0.00 175.22 174.57 3k6s n ILE 609 N 4.38 -0.45 -1.82 0.64 5.41 -0.25 -2.10 119.36 125.17 3k6s n ILE 609 Ca -0.03 2.05 -0.38 0.00 1.00 0.00 0.00 62.75 65.39 3k6s n ILE 609 Cb 0.42 -2.57 -0.03 0.00 -0.71 0.00 0.00 39.64 36.75 3k6s n ILE 609 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k6s s PRO 610 N -4.73 2.53 0.06 0.38 0.02 -1.26 -4.87 135.00 127.13 3k6s s PRO 610 Ca -0.08 1.11 -0.12 0.00 0.02 0.00 0.00 61.00 61.93 3k6s s PRO 610 Cb 0.07 -4.44 -0.03 0.00 0.02 0.00 0.00 34.50 30.12 3k6s s PRO 610 CO 0.41 -2.80 1.20 0.00 -0.33 0.00 0.00 177.00 175.48 3k6s h ALA 611 N 16.53 -0.22 -3.00 -1.55 0.00 -1.82 -3.44 119.26 125.77 3k6s h ALA 611 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3k6s h ALA 611 Cb 1.21 1.14 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3k6s h ALA 611 CO 1.16 -0.37 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 3k6s n GLU 612 N -3.85 3.62 -4.54 0.00 0.28 -1.26 -4.38 120.64 110.51 3k6s n GLU 612 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 3k6s n GLU 612 Cb 0.10 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.84 3k6s n GLU 612 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3k6s s ILE 613 N 0.82 3.59 -2.00 3.84 1.01 -1.16 -4.98 121.20 122.33 3k6s s ILE 613 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3k6s s ILE 613 Cb 0.00 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.95 3k6s s ILE 613 CO 0.00 0.51 0.93 -0.81 0.00 0.00 0.00 174.94 175.56 3k6s n PRO 614 N 3.50 0.88 -0.88 2.79 -0.05 -1.26 -2.11 135.00 137.87 3k6s n PRO 614 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.27 3k6s n PRO 614 Cb 0.53 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 32.95 3k6s n PRO 614 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 3k6s n ARG 615 N -0.52 -0.17 0.12 0.54 0.63 -1.26 -4.88 116.66 111.12 3k6s n ARG 615 Ca 0.01 0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.86 3k6s n ARG 615 Cb 0.00 -3.28 -0.08 0.00 0.45 0.00 0.00 32.46 29.55 3k6s n ARG 615 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3k6s h SER 616 N 0.00 -0.28 -1.96 6.15 0.02 -1.99 -3.17 113.55 112.32 3k6s h SER 616 Ca 0.00 -0.23 -0.76 0.00 -0.84 0.00 0.00 61.79 59.96 3k6s h SER 616 Cb 0.09 0.07 -0.26 0.00 0.14 0.00 0.00 62.40 62.44 3k6s h SER 616 CO 0.00 0.12 1.04 0.00 -1.14 0.00 0.00 176.83 176.85 3k6s n ALA 617 N -2.48 6.44 -1.84 3.77 0.00 -1.26 -4.70 120.51 120.44 3k6s n ALA 617 Ca -0.09 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.21 3k6s n ALA 617 Cb 0.26 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3k6s n ALA 617 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k6s n PHE 618 N -0.28 0.00 0.19 0.00 7.35 -1.20 -4.56 117.46 118.95 3k6s n PHE 618 Ca 0.52 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 57.32 3k6s n PHE 618 Cb 0.26 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.21 3k6s n PHE 618 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3k6s h GLU 619 N 0.00 0.00 0.00 -4.13 5.08 -1.79 -3.27 114.58 110.46 3k6s h GLU 619 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3k6s h GLU 619 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3k6s h GLU 619 CO 0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 179.01 177.92 3k6s s ARG 621 N -0.56 1.14 -0.29 0.00 3.52 -1.26 -5.03 118.95 116.47 3k6s s ARG 621 Ca 0.00 -0.60 0.12 0.00 -0.13 0.00 0.00 55.73 55.12 3k6s s ARG 621 Cb 0.00 0.41 0.47 0.00 -1.56 0.00 0.00 34.95 34.27 3k6s s ARG 621 CO 0.00 -0.52 1.15 0.39 -0.81 0.00 0.00 175.30 175.51 3k6s n GLU 622 N -0.43 2.95 -4.97 5.12 1.02 -1.26 -4.84 120.64 118.23 3k6s n GLU 622 Ca -0.07 -3.96 -0.32 0.00 -0.02 0.00 0.00 57.16 52.79 3k6s n GLU 622 Cb 0.61 -2.04 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 3k6s n GLU 622 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3k6s s GLN 623 N -3.65 2.96 4.59 3.49 -2.07 -1.26 -5.04 119.66 118.68 3k6s s GLN 623 Ca 0.43 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 53.20 3k6s s GLN 623 Cb 0.38 -2.43 0.00 0.00 -1.09 0.00 0.00 33.01 29.88 3k6s s GLN 623 CO 0.00 0.34 0.00 1.33 -1.32 0.00 0.00 175.29 175.64 3k6s n VAL 624 N 3.13 0.00 -2.19 3.63 0.24 -1.26 -5.01 118.33 116.86 3k6s n VAL 624 Ca -0.18 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.85 3k6s n VAL 624 Cb 0.52 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.94 3k6s n VAL 624 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k6s s VAL 625 N 0.00 3.22 -0.62 3.34 -7.23 -1.26 -5.02 120.40 112.83 3k6s s VAL 625 Ca 0.00 0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 59.96 3k6s s VAL 625 Cb 0.00 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.63 3k6s s VAL 625 CO 0.00 -0.38 1.22 -0.44 -0.31 0.00 0.00 175.10 175.19 3k6s s SER 626 N -4.38 6.38 -1.07 4.85 0.01 -1.26 -4.88 113.70 113.35 3k6s s SER 626 Ca 0.57 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.65 3k6s s SER 626 Cb -0.11 -2.56 0.15 0.00 0.21 0.00 0.00 66.02 63.72 3k6s s SER 626 CO 0.47 -1.57 1.28 -1.61 0.41 0.00 0.00 173.24 172.22 3k6s s GLU 627 N 5.15 3.85 -0.14 12.44 2.02 -1.26 -4.97 118.70 135.78 3k6s s GLU 627 Ca 0.41 -2.17 -0.29 0.00 0.02 0.00 0.00 54.97 52.94 3k6s s GLU 627 Cb -0.08 -4.99 -0.05 0.00 0.10 0.00 0.00 34.13 29.11 3k6s s GLU 627 CO 0.23 -1.77 1.94 -0.65 0.02 0.00 0.00 175.26 175.03 3k6s s GLN 628 N 2.14 3.67 0.75 1.61 -0.21 -1.26 -4.58 119.66 121.77 3k6s s GLN 628 Ca 0.38 2.09 -0.14 0.00 0.02 0.00 0.00 55.36 57.70 3k6s s GLN 628 Cb -0.04 -4.20 0.05 0.00 1.00 0.00 0.00 33.01 29.83 3k6s s GLN 628 CO -0.05 -1.48 1.20 0.99 -2.12 0.00 0.00 175.29 173.84 3k6s s THR 629 N 6.06 2.29 -0.38 -0.19 2.01 -0.91 -4.76 115.64 119.76 3k6s s THR 629 Ca 0.87 0.13 0.01 0.00 0.31 0.00 0.00 61.69 63.01 3k6s s THR 629 Cb -0.33 -2.65 0.11 0.00 0.01 0.00 0.00 72.50 69.64 3k6s s THR 629 CO 0.35 -0.08 0.13 -0.22 -0.69 0.00 0.00 174.62 174.11 3k6s s LEU 630 N -5.34 5.00 0.16 4.42 2.96 -1.26 -1.92 118.68 122.70 3k6s s LEU 630 Ca 0.73 -2.12 -0.19 0.00 -0.22 0.00 0.00 54.13 52.34 3k6s s LEU 630 Cb -0.28 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 3k6s s LEU 630 CO 0.47 -0.46 0.64 -0.69 -1.32 0.00 0.00 176.35 174.99 3k6s s VAL 631 N 0.99 4.67 -0.10 1.68 1.01 -0.75 -4.91 120.40 122.98 3k6s s VAL 631 Ca 0.10 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 3k6s s VAL 631 Cb -0.21 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3k6s s VAL 631 CO -0.06 0.34 -0.05 -1.10 0.00 0.00 0.00 175.10 174.23 3k6s s GLN 632 N -1.65 3.13 -0.17 2.72 -0.21 -1.26 -0.85 119.66 121.36 3k6s s GLN 632 Ca 0.37 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.22 3k6s s GLN 632 Cb -0.18 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.14 3k6s s GLN 632 CO 0.20 0.50 -0.12 0.45 -2.12 0.00 0.00 175.29 174.21 3k6s s SER 633 N -0.35 3.00 -0.21 5.90 0.15 -1.03 -1.09 113.70 120.07 3k6s s SER 633 Ca 0.05 -0.67 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 3k6s s SER 633 Cb -0.12 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 3k6s s SER 633 CO 0.02 -0.11 0.02 0.21 1.20 0.00 0.00 173.24 174.59 3k6s s ASN 634 N 1.46 4.97 0.11 5.45 3.84 -0.43 -1.29 114.94 129.04 3k6s s ASN 634 Ca 0.02 -0.18 0.09 0.00 0.21 0.00 0.00 52.86 53.00 3k6s s ASN 634 Cb -0.14 -1.86 -0.04 0.00 -0.55 0.00 0.00 41.25 38.66 3k6s s ASN 634 CO -0.09 0.05 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.44 3k6s s ILE 635 N 1.09 2.70 0.04 -5.21 1.01 -1.03 -2.09 121.20 117.71 3k6s s ILE 635 Ca 0.03 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.19 3k6s s ILE 635 Cb -0.14 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3k6s s ILE 635 CO 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 174.94 175.01 3k6s s LEU 637 N -1.54 1.15 -0.16 0.00 1.43 -0.83 -2.54 118.68 116.19 3k6s s LEU 637 Ca -0.09 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3k6s s LEU 637 Cb -0.10 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.87 3k6s s LEU 637 CO 0.01 -0.10 0.46 -0.72 0.23 0.00 0.00 176.35 176.23 3k6s s TYR 638 N 1.08 -0.50 -0.10 0.29 -0.85 -1.00 -0.99 117.35 115.28 3k6s s TYR 638 Ca -0.09 1.20 -0.01 0.00 -0.52 0.00 0.00 57.07 57.65 3k6s s TYR 638 Cb -0.14 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 3k6s s TYR 638 CO -0.01 -0.26 -0.04 0.96 -1.52 0.00 0.00 175.55 174.68 3k6s s ILE 639 N 0.15 3.93 0.00 -3.49 -4.36 -1.23 -0.96 121.20 115.25 3k6s s ILE 639 Ca -0.01 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 3k6s s ILE 639 Cb -0.03 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3k6s s ILE 639 CO 0.01 0.57 0.00 -0.90 0.24 0.00 0.00 174.94 174.86 3k6s n ASP 640 N 2.63 3.14 -4.68 4.36 5.75 -1.26 -4.56 116.55 121.94 3k6s n ASP 640 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.19 3k6s n ASP 640 Cb 0.53 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.58 3k6s n ASP 640 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3k6s s LYS 641 N -1.78 4.31 0.00 0.11 2.20 -1.26 -4.79 119.74 118.53 3k6s s LYS 641 Ca 0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 3k6s s LYS 641 Cb 0.00 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3k6s s LYS 641 CO 0.00 -0.23 0.00 2.89 -0.36 0.00 0.00 175.35 177.65 3k6s n ARG 642 N 4.88 0.40 -0.19 4.03 1.85 -1.26 -4.58 116.66 121.79 3k6s n ARG 642 Ca 0.02 0.00 0.18 0.00 -1.00 0.00 0.00 57.85 57.05 3k6s n ARG 642 Cb 0.50 -0.20 0.33 0.00 -1.05 0.00 0.00 32.46 32.04 3k6s n ARG 642 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3k6s n SER 643 N -0.42 0.18 -0.00 2.89 3.41 -1.26 -0.27 113.62 118.15 3k6s n SER 643 Ca 0.00 0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3k6s n SER 643 Cb 0.00 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 3k6s n SER 643 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3k6s h LYS 644 N 0.00 -0.08 0.00 4.33 2.10 -1.94 -3.30 116.57 117.68 3k6s h LYS 644 Ca 0.48 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 3k6s h LYS 644 Cb 1.26 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3k6s h LYS 644 CO -0.45 0.49 0.00 -0.91 -2.00 0.00 0.00 179.45 176.58 3k6s h ASN 645 N -0.78 0.00 -3.44 7.07 2.35 -1.04 -3.48 115.58 116.26 3k6s h ASN 645 Ca -0.01 0.00 0.37 0.00 -0.55 0.00 0.00 56.30 56.11 3k6s h ASN 645 Cb 0.61 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.85 3k6s h ASN 645 CO 0.01 0.00 -0.80 0.18 -1.65 0.00 0.00 177.43 175.17 3k6s n LEU 646 N -2.94 -0.82 -4.32 1.61 4.77 -1.08 -4.80 117.00 109.42 3k6s n LEU 646 Ca 0.00 1.87 -0.29 0.00 -0.03 0.00 0.00 56.01 57.56 3k6s n LEU 646 Cb 0.26 -4.50 0.27 0.00 -2.33 0.00 0.00 43.42 37.12 3k6s n LEU 646 CO 0.25 -3.14 0.34 0.18 -1.33 0.00 0.00 177.39 173.69 3k6s n LEU 647 N -4.25 -1.27 0.00 2.23 4.77 -1.26 -4.60 117.00 112.62 3k6s n LEU 647 Ca -0.03 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3k6s n LEU 647 Cb 0.65 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3k6s n LEU 647 CO 0.02 -3.89 0.00 0.61 -1.33 0.00 0.00 177.39 172.80 3k6s n GLY 648 N 1.54 -2.52 1.99 -0.72 0.00 -1.26 -4.81 105.19 99.42 3k6s n GLY 648 Ca 0.07 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 3k6s n GLY 648 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k6s n SER 649 N -0.23 -1.01 0.00 1.61 7.64 -1.26 -2.31 113.62 118.05 3k6s n SER 649 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 3k6s n SER 649 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3k6s n SER 649 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3k6s n ARG 650 N 0.65 0.00 0.12 1.43 0.63 -1.26 -4.47 116.66 113.76 3k6s n ARG 650 Ca 0.10 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.11 3k6s n ARG 650 Cb 0.17 0.00 0.45 0.00 0.45 0.00 0.00 32.46 33.54 3k6s n ARG 650 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3k6s n ASP 651 N 3.59 0.44 0.00 6.15 2.03 -0.98 -4.15 116.55 123.62 3k6s n ASP 651 Ca 0.00 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.01 3k6s n ASP 651 Cb 0.00 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 3k6s n ASP 651 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3k6s n LEU 652 N -2.08 0.00 -4.49 -2.67 4.32 -1.21 -4.51 117.00 106.36 3k6s n LEU 652 Ca -0.01 0.00 -0.51 0.00 -0.02 0.00 0.00 56.01 55.47 3k6s n LEU 652 Cb 0.04 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.79 3k6s n LEU 652 CO 0.08 0.00 0.39 1.67 -1.22 0.00 0.00 177.39 178.31 3k6s n GLN 653 N 0.00 0.44 -3.15 3.23 7.27 -1.26 -4.49 117.38 119.42 3k6s n GLN 653 Ca 0.00 0.16 0.06 0.00 0.07 0.00 0.00 57.00 57.29 3k6s n GLN 653 Cb 0.00 -1.45 -0.01 0.00 2.41 0.00 0.00 30.24 31.19 3k6s n GLN 653 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3k6s s SER 654 N -0.43 -0.00 0.85 1.69 1.04 -1.25 -4.52 113.70 111.07 3k6s s SER 654 Ca 0.73 0.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.05 3k6s s SER 654 Cb -0.97 1.00 0.10 0.00 0.10 0.00 0.00 66.02 66.25 3k6s s SER 654 CO 0.56 -0.00 1.11 -0.44 0.98 0.00 0.00 173.24 175.44 3k6s s SER 655 N 3.00 3.74 0.01 7.02 0.01 -1.26 -2.51 113.70 123.71 3k6s s SER 655 Ca 0.10 1.89 -0.13 0.00 1.31 0.00 0.00 55.95 59.11 3k6s s SER 655 Cb -0.04 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.72 3k6s s SER 655 CO -0.14 -2.53 0.28 -0.69 0.41 0.00 0.00 173.24 170.57 3k6s s VAL 656 N -2.81 0.07 -0.23 3.43 1.01 -0.90 -3.45 120.40 117.52 3k6s s VAL 656 Ca 0.63 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3k6s s VAL 656 Cb -0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3k6s s VAL 656 CO 0.57 -0.33 0.13 0.42 0.00 0.00 0.00 175.10 175.89 3k6s s THR 657 N -1.86 5.14 -0.09 3.92 -4.23 -1.26 -1.95 115.64 115.32 3k6s s THR 657 Ca -0.10 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 3k6s s THR 657 Cb -0.04 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 3k6s s THR 657 CO 0.01 0.36 0.02 -0.76 -0.54 0.00 0.00 174.62 173.71 3k6s s LEU 658 N 1.00 3.69 -0.38 4.79 1.43 -1.12 -3.04 118.68 125.05 3k6s s LEU 658 Ca 0.07 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3k6s s LEU 658 Cb -0.13 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.38 3k6s s LEU 658 CO 0.04 0.38 0.25 -1.81 0.23 0.00 0.00 176.35 175.44 3k6s s ASP 659 N -0.90 2.78 0.22 2.29 1.11 -0.02 -2.81 116.67 119.34 3k6s s ASP 659 Ca 0.13 -2.46 -0.22 0.00 0.18 0.00 0.00 52.55 50.19 3k6s s ASP 659 Cb -0.11 -0.52 -0.08 0.00 1.07 0.00 0.00 42.92 43.28 3k6s s ASP 659 CO 0.03 -0.27 0.76 -0.76 1.18 0.00 0.00 175.17 176.10 3k6s s LEU 660 N 0.71 4.40 -0.21 1.23 1.43 -0.76 -1.51 118.68 123.97 3k6s s LEU 660 Ca 0.21 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 3k6s s LEU 660 Cb -0.17 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.56 3k6s s LEU 660 CO -0.04 0.06 0.49 0.00 0.23 0.00 0.00 176.35 177.10 3k6s s ALA 661 N -1.45 -1.32 0.02 4.21 0.00 -0.80 -1.82 121.76 120.59 3k6s s ALA 661 Ca 0.42 1.80 -0.04 0.00 0.00 0.00 0.00 51.96 54.14 3k6s s ALA 661 Cb -0.18 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3k6s s ALA 661 CO 0.22 -0.39 0.23 -0.51 0.00 0.00 0.00 175.76 175.32 3k6s s LEU 662 N 1.69 4.36 -0.88 0.00 1.02 -1.03 -2.79 118.68 121.05 3k6s s LEU 662 Ca -0.08 0.44 -0.26 0.00 0.02 0.00 0.00 54.13 54.24 3k6s s LEU 662 Cb -0.08 -2.74 0.04 0.00 0.02 0.00 0.00 46.19 43.42 3k6s s LEU 662 CO -0.15 0.23 0.49 0.47 0.02 0.00 0.00 176.35 177.41 3k6s n ASP 663 N 0.85 -2.99 0.05 2.29 9.92 -0.91 -4.79 116.55 120.96 3k6s n ASP 663 Ca -0.09 -0.96 -0.13 0.00 -0.53 0.00 0.00 54.79 53.08 3k6s n ASP 663 Cb 0.52 -1.15 -0.08 0.00 -0.64 0.00 0.00 41.12 39.77 3k6s n ASP 663 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3k6s h PRO 664 N -1.09 -0.06 0.00 -0.24 0.11 -1.87 -3.21 132.00 125.64 3k6s h PRO 664 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3k6s h PRO 664 Cb 1.03 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k6s h PRO 664 CO 0.38 0.11 0.00 0.78 -0.21 0.00 0.00 178.00 179.05 3k6s h GLY 665 N -0.22 0.00 -4.57 -0.55 0.00 -1.98 -3.43 103.07 92.32 3k6s h GLY 665 Ca -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3k6s h GLY 665 CO 0.01 0.00 -0.70 1.09 0.00 0.00 0.00 176.54 176.94 3k6s s ARG 666 N -3.48 2.45 -0.22 4.80 1.70 -1.21 -5.00 118.95 117.98 3k6s s ARG 666 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3k6s s ARG 666 Cb 0.08 -2.47 0.22 0.00 -0.57 0.00 0.00 34.95 32.20 3k6s s ARG 666 CO 0.28 0.56 1.72 1.28 -1.08 0.00 0.00 175.30 178.06 3k6s n LEU 667 N 1.05 5.46 -3.21 -1.89 4.77 -1.26 -4.42 117.00 117.51 3k6s n LEU 667 Ca -0.14 -2.78 -0.23 0.00 -0.03 0.00 0.00 56.01 52.84 3k6s n LEU 667 Cb 0.52 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 3k6s n LEU 667 CO 0.34 0.98 -0.26 -1.54 -1.33 0.00 0.00 177.39 175.58 3k6s n SER 668 N 0.23 -0.37 -4.69 -1.43 3.41 -1.26 -5.11 113.62 104.40 3k6s n SER 668 Ca 0.24 -2.64 -0.56 0.00 -0.26 0.00 0.00 58.87 55.65 3k6s n SER 668 Cb 0.74 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 3k6s n SER 668 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3k6s n PRO 669 N 1.91 1.26 0.00 4.33 -0.02 -1.26 -4.84 135.00 136.38 3k6s n PRO 669 Ca 0.23 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 3k6s n PRO 669 Cb 0.52 -2.15 0.73 0.00 -0.02 0.00 0.00 33.50 32.58 3k6s n PRO 669 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3k6s n ARG 670 N 5.03 1.04 -3.14 -0.52 3.00 -1.26 -4.95 116.66 115.87 3k6s n ARG 670 Ca 0.25 -0.32 0.01 0.00 -0.00 0.00 0.00 57.85 57.79 3k6s n ARG 670 Cb 0.15 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 31.13 3k6s n ARG 670 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k6s n ALA 671 N -0.70 -2.13 -3.39 5.13 0.00 -1.26 -4.52 120.51 113.63 3k6s n ALA 671 Ca 0.19 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 3k6s n ALA 671 Cb 0.23 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 3k6s n ALA 671 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k6s s THR 672 N -2.11 0.02 0.40 0.00 -4.23 -1.20 -4.50 115.64 104.01 3k6s s THR 672 Ca 0.18 -0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 3k6s s THR 672 Cb -0.01 -0.93 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 3k6s s THR 672 CO 0.01 -0.09 0.96 -0.36 -0.54 0.00 0.00 174.62 174.60 3k6s s PHE 673 N -1.79 3.39 0.01 3.99 0.40 -0.43 -1.07 117.98 122.47 3k6s s PHE 673 Ca -0.09 1.66 -0.19 0.00 -0.60 0.00 0.00 56.93 57.71 3k6s s PHE 673 Cb -0.01 -2.91 -0.27 0.00 0.51 0.00 0.00 43.02 40.33 3k6s s PHE 673 CO 0.04 -0.13 1.05 0.37 0.70 0.00 0.00 175.22 177.25 3k6s h GLN 674 N 2.28 0.45 -0.99 0.44 4.15 -1.65 0.11 115.11 119.91 3k6s h GLN 674 Ca -0.48 -0.59 0.22 0.00 0.77 0.00 0.00 58.65 58.57 3k6s h GLN 674 Cb 1.19 0.19 -0.09 0.00 0.21 0.00 0.00 27.48 28.98 3k6s h GLN 674 CO 0.62 1.23 0.63 1.49 -1.93 0.00 0.00 178.83 180.87 3k6s h GLU 675 N -0.05 0.50 0.00 1.69 4.57 -1.94 -2.96 114.58 116.39 3k6s h GLU 675 Ca -0.13 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3k6s h GLU 675 Cb 1.59 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.07 3k6s h GLU 675 CO 0.17 0.33 -1.08 -2.37 -1.18 0.00 0.00 179.01 174.88 3k6s n THR 676 N -4.64 0.01 0.00 0.32 5.66 -1.25 -5.01 114.28 109.37 3k6s n THR 676 Ca 0.23 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 3k6s n THR 676 Cb 0.73 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 3k6s n THR 676 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3k6s n LYS 677 N -1.60 0.00 -1.85 1.09 4.81 0.39 -5.00 118.16 116.00 3k6s n LYS 677 Ca -0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.14 3k6s n LYS 677 Cb 0.09 -1.38 0.14 0.00 0.02 0.00 0.00 35.03 33.90 3k6s n LYS 677 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3k6s s ASN 678 N -3.67 3.74 0.00 3.14 -0.87 -1.25 -4.67 114.94 111.37 3k6s s ASN 678 Ca 0.00 0.59 0.30 0.00 -1.57 0.00 0.00 52.86 52.18 3k6s s ASN 678 Cb 0.00 -0.91 1.63 0.00 -0.02 0.00 0.00 41.25 41.95 3k6s s ASN 678 CO 0.00 -2.37 2.07 -2.11 -2.57 0.00 0.00 177.10 172.12 3k6s n ARG 679 N -3.59 1.15 -4.01 -0.60 -4.01 -1.26 -1.31 116.66 103.03 3k6s n ARG 679 Ca 0.11 -0.22 -0.10 0.00 -1.04 0.00 0.00 57.85 56.60 3k6s n ARG 679 Cb 0.60 -1.47 -0.05 0.00 -3.04 0.00 0.00 32.46 28.50 3k6s n ARG 679 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3k6s s SER 680 N -1.95 0.13 0.10 2.89 1.04 -1.26 -2.46 113.70 112.19 3k6s s SER 680 Ca 0.44 -1.07 -0.25 0.00 0.48 0.00 0.00 55.95 55.54 3k6s s SER 680 Cb 0.21 0.61 0.08 0.00 0.10 0.00 0.00 66.02 67.02 3k6s s SER 680 CO 0.35 -1.20 0.66 -1.48 0.98 0.00 0.00 173.24 172.54 3k6s s LEU 681 N -3.07 -0.55 0.01 2.42 0.05 -0.75 -4.80 118.68 111.99 3k6s s LEU 681 Ca 0.24 0.10 0.02 0.00 0.05 0.00 0.00 54.13 54.54 3k6s s LEU 681 Cb -0.01 2.50 -0.01 0.00 -2.05 0.00 0.00 46.19 46.62 3k6s s LEU 681 CO 0.12 -0.87 -0.07 -0.55 -0.55 0.00 0.00 176.35 174.43 3k6s s SER 682 N -2.48 0.80 -0.21 1.48 0.15 -1.26 -1.83 113.70 110.35 3k6s s SER 682 Ca -0.00 -0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 3k6s s SER 682 Cb -0.01 -0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.32 3k6s s SER 682 CO -0.09 -0.02 0.51 -0.13 1.20 0.00 0.00 173.24 174.70 3k6s s ARG 683 N -0.69 0.53 -0.30 5.44 0.52 -1.12 -4.99 118.95 118.33 3k6s s ARG 683 Ca -0.02 0.90 -0.20 0.00 -0.52 0.00 0.00 55.73 55.88 3k6s s ARG 683 Cb -0.05 0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 3k6s s ARG 683 CO 0.00 -0.14 0.64 0.08 0.02 0.00 0.00 175.30 175.90 3k6s s VAL 684 N 1.23 4.93 0.10 3.52 1.01 -1.26 -2.81 120.40 127.12 3k6s s VAL 684 Ca -0.08 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.82 3k6s s VAL 684 Cb -0.06 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3k6s s VAL 684 CO -0.12 -0.14 -0.10 -0.13 0.00 0.00 0.00 175.10 174.61 3k6s s ARG 685 N 2.63 0.88 -0.04 2.72 0.52 -0.82 -4.90 118.95 119.93 3k6s s ARG 685 Ca 0.26 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 53.98 3k6s s ARG 685 Cb -0.15 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 3k6s s ARG 685 CO 0.12 0.07 0.81 0.54 0.02 0.00 0.00 175.30 176.85 3k6s s VAL 686 N -2.74 4.98 0.37 3.52 0.11 -1.26 -2.11 120.40 123.27 3k6s s VAL 686 Ca 0.08 1.67 0.05 0.00 -2.93 0.00 0.00 61.98 60.86 3k6s s VAL 686 Cb -0.01 -4.14 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 3k6s s VAL 686 CO -0.01 0.21 0.53 -0.76 -3.33 0.00 0.00 175.10 171.74 3k6s s LEU 687 N 0.90 3.87 0.31 2.54 1.43 -1.04 -4.93 118.68 121.76 3k6s s LEU 687 Ca 0.43 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 3k6s s LEU 687 Cb -0.19 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.21 3k6s s LEU 687 CO 0.22 -0.53 0.62 -0.83 0.23 0.00 0.00 176.35 176.06 3k6s s GLY 688 N -4.20 0.52 0.25 -3.19 0.00 -1.26 -3.77 107.32 95.66 3k6s s GLY 688 Ca 0.47 -0.82 0.23 0.00 0.00 0.00 0.00 44.72 44.59 3k6s s GLY 688 CO 0.33 -0.48 1.69 1.47 0.00 0.00 0.00 173.10 176.11 3k6s n LEU 689 N -0.47 0.63 -4.78 0.66 -0.00 -1.26 -3.49 117.00 108.29 3k6s n LEU 689 Ca -0.04 0.66 -0.37 0.00 -0.00 0.00 0.00 56.01 56.27 3k6s n LEU 689 Cb 0.61 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 43.38 3k6s n LEU 689 CO 0.23 -0.56 -0.04 -0.75 -0.00 0.00 0.00 177.39 176.28 3k6s s LYS 690 N -3.31 4.04 0.74 1.47 2.47 -1.26 -4.24 119.74 119.64 3k6s s LYS 690 Ca 0.04 0.09 -0.17 0.00 -1.56 0.00 0.00 55.97 54.37 3k6s s LYS 690 Cb 0.09 -3.34 -0.10 0.00 -1.46 0.00 0.00 37.83 33.02 3k6s s LYS 690 CO 0.38 0.43 -0.05 0.00 0.16 0.00 0.00 175.35 176.26 3k6s n ALA 691 N 2.96 -3.16 -3.69 3.13 0.00 -1.26 -4.82 120.51 113.66 3k6s n ALA 691 Ca -0.14 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3k6s n ALA 691 Cb 0.53 -1.51 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 3k6s n ALA 691 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k6s s HIS 692 N -1.99 1.29 -0.19 0.00 2.46 -0.16 -4.89 115.29 111.80 3k6s s HIS 692 Ca 0.55 -1.41 -0.07 0.00 0.47 0.00 0.00 55.06 54.61 3k6s s HIS 692 Cb -0.34 -1.42 -0.04 0.00 -0.13 0.00 0.00 32.58 30.65 3k6s s HIS 692 CO 0.68 -0.83 0.05 0.00 -2.47 0.00 0.00 174.74 172.17 3k6s s GLU 694 N 0.57 0.38 -0.10 0.00 2.12 -0.72 -5.00 118.70 115.95 3k6s s GLU 694 Ca 0.02 -0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 3k6s s GLU 694 Cb -0.13 -0.47 -0.04 0.00 0.26 0.00 0.00 34.13 33.75 3k6s s GLU 694 CO 0.01 -0.06 0.05 0.54 -0.54 0.00 0.00 175.26 175.27 3k6s s ASN 695 N 0.65 5.66 0.27 -1.70 2.20 -1.26 -2.48 114.94 118.27 3k6s s ASN 695 Ca -0.07 0.25 0.10 0.00 -0.94 0.00 0.00 52.86 52.20 3k6s s ASN 695 Cb -0.10 -1.71 -0.04 0.00 -2.00 0.00 0.00 41.25 37.40 3k6s s ASN 695 CO -0.01 0.38 -0.02 -0.36 -2.94 0.00 0.00 177.10 174.14 3k6s s PHE 696 N -0.86 2.66 -0.09 1.54 0.40 -0.41 -4.94 117.98 116.28 3k6s s PHE 696 Ca 0.13 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 3k6s s PHE 696 Cb -0.12 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 3k6s s PHE 696 CO 0.03 0.63 0.38 -0.80 0.70 0.00 0.00 175.22 176.16 3k6s s ASN 697 N -3.64 6.64 0.05 1.36 0.01 -1.26 -2.45 114.94 115.64 3k6s s ASN 697 Ca 0.31 0.76 0.08 0.00 -0.71 0.00 0.00 52.86 53.30 3k6s s ASN 697 Cb -0.06 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 3k6s s ASN 697 CO 0.19 0.16 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.96 3k6s s LEU 698 N -0.07 2.18 -0.25 0.60 1.02 -0.03 -1.68 118.68 120.45 3k6s s LEU 698 Ca 0.22 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.84 3k6s s LEU 698 Cb -0.15 -1.07 0.06 0.00 0.02 0.00 0.00 46.19 45.05 3k6s s LEU 698 CO 0.09 0.19 -0.09 -0.76 0.02 0.00 0.00 176.35 175.79 3k6s s LEU 699 N -1.24 3.05 -0.24 1.79 1.02 -0.23 -1.81 118.68 121.01 3k6s s LEU 699 Ca 0.09 -1.27 -0.16 0.00 0.02 0.00 0.00 54.13 52.81 3k6s s LEU 699 Cb -0.09 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 3k6s s LEU 699 CO 0.02 -0.20 0.40 -0.76 0.02 0.00 0.00 176.35 175.83 3k6s s LEU 700 N 1.22 4.09 0.36 1.79 1.43 -0.81 -3.26 118.68 123.50 3k6s s LEU 700 Ca -0.07 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 3k6s s LEU 700 Cb -0.19 -2.49 -0.11 0.00 0.03 0.00 0.00 46.19 43.43 3k6s s LEU 700 CO -0.06 -0.15 1.49 -2.16 0.23 0.00 0.00 176.35 175.70 3k6s s PRO 701 N 1.79 4.12 0.23 1.29 0.04 -1.26 -2.14 135.00 139.07 3k6s s PRO 701 Ca 0.17 2.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 3k6s s PRO 701 Cb -0.15 -2.98 0.37 0.00 0.04 0.00 0.00 34.50 31.78 3k6s s PRO 701 CO 0.09 -0.54 1.68 0.66 0.04 0.00 0.00 177.00 178.94 3k6s h SER 702 N 3.26 -0.07 -3.15 6.66 4.64 -1.81 -3.40 113.55 119.68 3k6s h SER 702 Ca -0.50 0.14 -0.64 0.00 -0.47 0.00 0.00 61.79 60.32 3k6s h SER 702 Cb 1.24 0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 63.40 3k6s h SER 702 CO 0.66 -0.05 -0.56 0.00 -0.87 0.00 0.00 176.83 176.02 3k6s s VAL 704 N -0.23 0.04 0.00 0.00 1.01 -1.23 -5.08 120.40 114.91 3k6s s VAL 704 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3k6s s VAL 704 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.63 3k6s s VAL 704 CO 0.01 -0.19 0.10 -0.62 0.00 0.00 0.00 175.10 174.41 3k6s n GLU 705 N 1.56 0.00 -2.38 2.72 1.02 -1.26 -4.83 120.64 117.47 3k6s n GLU 705 Ca -0.20 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 3k6s n GLU 705 Cb 0.56 -0.53 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 3k6s n GLU 705 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k6s s ASP 706 N -1.24 7.00 0.00 1.62 -1.08 -1.26 -4.86 116.67 116.85 3k6s s ASP 706 Ca 0.00 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.98 3k6s s ASP 706 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3k6s s ASP 706 CO 0.00 -0.59 0.00 -1.54 0.52 0.00 0.00 175.17 173.56 3k6s n SER 707 N 4.89 3.83 -0.17 -0.34 3.41 -1.26 -4.80 113.62 119.17 3k6s n SER 707 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.68 3k6s n SER 707 Cb 0.45 0.57 0.06 0.00 -0.26 0.00 0.00 64.21 65.03 3k6s n SER 707 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3k6s h VAL 708 N 0.00 0.96 -3.47 -3.33 -1.51 -1.97 -3.40 116.25 103.53 3k6s h VAL 708 Ca 0.00 -0.18 -0.58 0.00 -1.23 0.00 0.00 66.70 64.71 3k6s h VAL 708 Cb 0.39 0.39 -0.08 0.00 -2.13 0.00 0.00 31.29 29.86 3k6s h VAL 708 CO 0.00 0.09 0.76 0.42 -1.23 0.00 0.00 177.57 177.62 3k6s s THR 709 N -6.13 4.47 0.84 7.19 -4.23 -1.26 -4.83 115.64 111.69 3k6s s THR 709 Ca -0.13 1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 61.63 3k6s s THR 709 Cb 0.14 -4.43 -0.03 0.00 1.34 0.00 0.00 72.50 69.53 3k6s s THR 709 CO 0.74 -0.62 0.30 -2.65 -0.54 0.00 0.00 174.62 171.84 3k6s n PRO 710 N 7.04 0.01 -3.11 3.99 -0.02 -1.26 -4.93 135.00 136.73 3k6s n PRO 710 Ca 0.10 0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 3k6s n PRO 710 Cb 0.48 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 3k6s n PRO 710 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3k6s s ILE 711 N -2.13 5.05 0.35 4.25 -4.36 -0.89 -4.82 121.20 118.64 3k6s s ILE 711 Ca 0.59 1.28 -0.16 0.00 -0.26 0.00 0.00 60.65 62.10 3k6s s ILE 711 Cb -0.28 -3.97 -0.09 0.00 1.25 0.00 0.00 42.46 39.37 3k6s s ILE 711 CO 0.65 0.20 0.78 0.42 0.24 0.00 0.00 174.94 177.22 3k6s s THR 712 N 1.28 4.63 -0.18 8.37 -4.23 -1.26 -2.10 115.64 122.15 3k6s s THR 712 Ca 0.32 1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 61.82 3k6s s THR 712 Cb -0.16 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.13 3k6s s THR 712 CO 0.13 -0.23 0.12 -0.22 -0.54 0.00 0.00 174.62 173.89 3k6s s LEU 713 N -3.06 0.23 0.17 4.79 0.20 -0.88 -2.14 118.68 117.99 3k6s s LEU 713 Ca 0.55 -0.51 0.08 0.00 0.69 0.00 0.00 54.13 54.94 3k6s s LEU 713 Cb -0.10 -0.09 -0.04 0.00 -0.43 0.00 0.00 46.19 45.53 3k6s s LEU 713 CO 0.17 -0.34 -0.04 0.00 -0.29 0.00 0.00 176.35 175.85 3k6s s ARG 714 N 2.19 2.27 -0.09 1.98 1.04 -1.12 -1.86 118.95 123.35 3k6s s ARG 714 Ca 0.03 -1.15 0.04 0.00 -1.04 0.00 0.00 55.73 53.61 3k6s s ARG 714 Cb -0.16 -2.29 -0.00 0.00 -2.04 0.00 0.00 34.95 30.46 3k6s s ARG 714 CO -0.10 0.45 -0.24 -0.48 -0.04 0.00 0.00 175.30 174.90 3k6s s LEU 715 N -2.84 2.11 -0.18 -1.89 0.05 -0.79 -1.91 118.68 113.23 3k6s s LEU 715 Ca 0.26 -0.54 -0.17 0.00 0.05 0.00 0.00 54.13 53.73 3k6s s LEU 715 Cb -0.09 -1.41 -0.04 0.00 -2.05 0.00 0.00 46.19 42.60 3k6s s LEU 715 CO 0.17 0.18 0.46 0.21 -0.55 0.00 0.00 176.35 176.82 3k6s s ASN 716 N 0.22 6.55 0.01 1.48 3.84 -0.57 -3.41 114.94 123.06 3k6s s ASN 716 Ca -0.15 0.65 0.01 0.00 0.21 0.00 0.00 52.86 53.58 3k6s s ASN 716 Cb -0.17 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 3k6s s ASN 716 CO 0.08 -0.08 -0.04 0.72 -2.79 0.00 0.00 177.10 174.98 3k6s s PHE 717 N 1.20 0.39 0.00 0.43 -0.71 -1.24 -0.84 117.98 117.20 3k6s s PHE 717 Ca 0.22 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 3k6s s PHE 717 Cb -0.15 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.42 3k6s s PHE 717 CO 0.09 -0.06 0.00 0.25 -1.34 0.00 0.00 175.22 174.15 3k6s n THR 718 N 2.28 0.00 -3.66 -4.49 -2.24 -1.17 -4.88 114.28 100.13 3k6s n THR 718 Ca -0.18 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 3k6s n THR 718 Cb 0.57 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 3k6s n THR 718 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k6s s LEU 719 N 0.00 1.96 0.43 3.22 1.43 -1.26 -4.12 118.68 120.34 3k6s s LEU 719 Ca 0.00 -2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 51.03 3k6s s LEU 719 Cb 0.00 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 3k6s s LEU 719 CO 0.00 -0.35 0.74 0.54 0.23 0.00 0.00 176.35 177.51 3k6s s VAL 720 N 1.18 4.89 0.00 -1.59 0.11 -1.22 -4.56 120.40 119.21 3k6s s VAL 720 Ca 0.14 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3k6s s VAL 720 Cb -0.20 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 3k6s s VAL 720 CO -0.14 -0.68 0.00 0.61 -3.33 0.00 0.00 175.10 171.57 3k6s n GLY 721 N -1.80 2.36 2.31 6.54 0.00 -1.26 -4.52 105.19 108.82 3k6s n GLY 721 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3k6s n GLY 721 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k6s n LYS 722 N 0.00 -1.17 -3.52 1.61 5.02 -1.26 -5.03 118.16 113.81 3k6s n LYS 722 Ca 0.00 0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 56.69 3k6s n LYS 722 Cb 0.00 -5.07 -0.09 0.00 -0.02 0.00 0.00 35.03 29.84 3k6s n LYS 722 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3k6s s PRO 723 N -4.50 4.06 -0.32 1.97 0.04 -1.26 -4.79 135.00 130.19 3k6s s PRO 723 Ca 0.00 -0.10 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 3k6s s PRO 723 Cb 0.00 -3.59 0.13 0.00 0.04 0.00 0.00 34.50 31.08 3k6s s PRO 723 CO 0.00 -0.08 0.22 -0.51 0.04 0.00 0.00 177.00 176.66 3k6s s LEU 724 N 1.47 0.52 0.00 -3.56 1.43 -1.26 -4.92 118.68 112.36 3k6s s LEU 724 Ca 0.12 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 3k6s s LEU 724 Cb -0.15 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.94 3k6s s LEU 724 CO 0.08 -0.36 0.00 -0.11 0.23 0.00 0.00 176.35 176.19 3k6s n LEU 725 N 4.64 0.00 -4.76 1.79 7.94 -1.26 -4.54 117.00 120.81 3k6s n LEU 725 Ca 0.04 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.64 3k6s n LEU 725 Cb 0.41 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.56 3k6s n LEU 725 CO 0.08 0.00 0.73 0.00 -1.11 0.00 0.00 177.39 177.10 3k6s s ALA 726 N -1.00 1.46 -0.41 1.96 0.00 -1.26 -4.91 121.76 117.59 3k6s s ALA 726 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 3k6s s ALA 726 Cb 0.00 -2.88 0.35 0.00 0.00 0.00 0.00 23.12 20.59 3k6s s ALA 726 CO 0.00 -2.87 1.91 1.19 0.00 0.00 0.00 175.76 175.99 3k6s n PHE 727 N -4.17 2.17 1.20 0.00 3.72 -1.26 -4.38 117.46 114.73 3k6s n PHE 727 Ca 0.12 -2.10 0.13 0.00 -0.05 0.00 0.00 57.45 55.54 3k6s n PHE 727 Cb 0.59 -1.03 0.27 0.00 -0.94 0.00 0.00 39.48 38.37 3k6s n PHE 727 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k6s n ARG 728 N -0.29 1.25 -0.11 -1.08 1.74 -1.26 -3.49 116.66 113.43 3k6s n ARG 728 Ca 0.42 -0.88 -0.16 0.00 -0.77 0.00 0.00 57.85 56.47 3k6s n ARG 728 Cb 0.81 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 3k6s n ARG 728 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3k6s n ASN 729 N -0.11 2.27 0.00 0.55 6.94 -1.26 -4.78 115.26 118.87 3k6s n ASN 729 Ca 0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 3k6s n ASN 729 Cb 0.41 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 3k6s n ASN 729 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k6s n LEU 730 N -3.17 0.00 -4.28 -4.53 4.77 -1.23 -4.49 117.00 104.07 3k6s n LEU 730 Ca -0.39 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.20 3k6s n LEU 730 Cb 0.91 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.88 3k6s n LEU 730 CO 0.22 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.05 3k6s s ARG 731 N 0.00 2.63 0.77 3.23 1.70 -1.26 -4.79 118.95 121.23 3k6s s ARG 731 Ca 0.00 -1.20 -0.09 0.00 -0.47 0.00 0.00 55.73 53.96 3k6s s ARG 731 Cb 0.00 -3.52 0.09 0.00 -0.57 0.00 0.00 34.95 30.95 3k6s s ARG 731 CO 0.00 -0.70 1.11 -2.14 -1.08 0.00 0.00 175.30 172.49 3k6s s PRO 732 N 1.42 1.89 0.31 3.89 0.02 -1.26 -3.97 135.00 137.29 3k6s s PRO 732 Ca -0.01 -0.20 -0.16 0.00 0.02 0.00 0.00 61.00 60.65 3k6s s PRO 732 Cb -0.20 -2.06 0.06 0.00 0.02 0.00 0.00 34.50 32.32 3k6s s PRO 732 CO 0.03 -1.52 0.81 0.00 -0.33 0.00 0.00 177.00 175.99 3k6s n MET 733 N -3.16 0.93 -3.56 5.54 0.00 -0.85 -4.97 117.12 111.05 3k6s n MET 733 Ca 0.09 -1.87 -0.20 0.00 0.00 0.00 0.00 57.70 55.72 3k6s n MET 733 Cb 0.60 2.38 -0.02 0.00 0.00 0.00 0.00 33.22 36.19 3k6s n MET 733 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3k6s s LEU 734 N 0.00 3.61 0.00 3.17 1.43 -1.26 -2.61 118.68 123.02 3k6s s LEU 734 Ca 0.17 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3k6s s LEU 734 Cb -0.04 -2.33 0.06 0.00 0.03 0.00 0.00 46.19 43.91 3k6s s LEU 734 CO 0.09 -0.52 0.35 0.00 0.23 0.00 0.00 176.35 176.50 3k6s n ALA 735 N -1.54 -0.19 0.29 4.21 0.00 -1.26 -4.93 120.51 117.09 3k6s n ALA 735 Ca 0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 3k6s n ALA 735 Cb 0.60 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 3k6s n ALA 735 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6s h ALA 736 N -1.19 -0.89 -0.36 0.00 0.00 -2.00 -3.33 119.26 111.49 3k6s h ALA 736 Ca -0.11 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 3k6s h ALA 736 Cb 0.36 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3k6s h ALA 736 CO 0.10 -0.83 1.83 -0.25 0.00 0.00 0.00 179.25 180.09 3k6s n ASP 737 N -4.83 3.33 -4.16 0.00 8.00 -1.26 -4.84 116.55 112.79 3k6s n ASP 737 Ca -0.10 -2.75 -0.39 0.00 0.71 0.00 0.00 54.79 52.27 3k6s n ASP 737 Cb 0.31 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.76 3k6s n ASP 737 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k6s s ALA 738 N 7.35 3.39 -0.63 2.24 0.00 -1.25 -4.96 121.76 127.90 3k6s s ALA 738 Ca 0.61 -2.74 -0.07 0.00 0.00 0.00 0.00 51.96 49.76 3k6s s ALA 738 Cb 0.06 -2.69 -0.16 0.00 0.00 0.00 0.00 23.12 20.33 3k6s s ALA 738 CO 0.10 -1.93 3.28 1.04 0.00 0.00 0.00 175.76 178.25 3k6s n GLN 739 N 4.45 2.72 0.24 0.00 1.13 -1.26 -4.65 117.38 120.01 3k6s n GLN 739 Ca -0.01 -1.63 0.10 0.00 -1.94 0.00 0.00 57.00 53.52 3k6s n GLN 739 Cb 0.41 -2.30 0.55 0.00 0.11 0.00 0.00 30.24 29.00 3k6s n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k6s h ARG 740 N 3.72 0.00 -4.19 -1.09 3.08 -1.90 -3.27 114.38 110.73 3k6s h ARG 740 Ca 0.45 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.75 3k6s h ARG 740 Cb 0.99 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.81 3k6s h ARG 740 CO 0.85 0.00 0.01 0.71 -1.07 0.00 0.00 179.97 180.47 3k6s s TYR 741 N -3.67 3.35 -0.16 3.04 2.02 -1.26 -3.72 117.35 116.95 3k6s s TYR 741 Ca -0.02 -1.45 -0.02 0.00 -0.37 0.00 0.00 57.07 55.21 3k6s s TYR 741 Cb 0.06 -3.88 -0.01 0.00 -0.40 0.00 0.00 41.96 37.72 3k6s s TYR 741 CO 0.18 -1.10 -0.09 -0.06 -1.57 0.00 0.00 175.55 172.92 3k6s s PHE 742 N 1.43 2.90 -0.02 2.71 0.08 -1.22 -4.95 117.98 118.92 3k6s s PHE 742 Ca 0.11 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.55 3k6s s PHE 742 Cb -0.21 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 3k6s s PHE 742 CO -0.01 -0.28 -0.21 0.99 -0.10 0.00 0.00 175.22 175.61 3k6s s THR 743 N 0.69 1.64 0.03 0.64 2.01 -1.26 -1.88 115.64 117.51 3k6s s THR 743 Ca -0.04 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.13 3k6s s THR 743 Cb -0.15 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3k6s s THR 743 CO 0.02 0.46 -0.19 0.00 -0.69 0.00 0.00 174.62 174.22 3k6s s ALA 744 N -0.48 1.63 0.07 7.40 0.00 -0.78 -4.95 121.76 124.65 3k6s s ALA 744 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3k6s s ALA 744 Cb -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3k6s s ALA 744 CO -0.01 0.37 0.19 -1.54 0.00 0.00 0.00 175.76 174.77 3k6s s SER 745 N -0.98 6.21 -0.27 0.00 1.04 -1.26 -2.07 113.70 116.37 3k6s s SER 745 Ca 0.07 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.72 3k6s s SER 745 Cb -0.08 -1.87 0.07 0.00 0.10 0.00 0.00 66.02 64.24 3k6s s SER 745 CO 0.01 0.16 -0.02 -0.22 0.98 0.00 0.00 173.24 174.15 3k6s s LEU 746 N -2.55 3.05 1.07 2.42 0.20 -0.89 -4.87 118.68 117.11 3k6s s LEU 746 Ca 0.34 -1.45 -0.17 0.00 0.69 0.00 0.00 54.13 53.54 3k6s s LEU 746 Cb -0.13 -1.27 0.23 0.00 -0.43 0.00 0.00 46.19 44.59 3k6s s LEU 746 CO 0.27 -0.28 1.19 -2.84 -0.29 0.00 0.00 176.35 174.40 3k6s s PRO 747 N 1.29 -0.18 0.20 0.98 0.02 -1.26 -2.10 135.00 133.95 3k6s s PRO 747 Ca -0.01 -0.14 0.09 0.00 0.02 0.00 0.00 61.00 60.96 3k6s s PRO 747 Cb -0.19 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 3k6s s PRO 747 CO -0.09 -3.01 -0.18 -0.06 -0.33 0.00 0.00 177.00 173.34 3k6s s PHE 748 N -3.37 1.92 -1.17 6.54 0.40 -1.26 -2.97 117.98 118.07 3k6s s PHE 748 Ca 0.71 -0.46 -0.20 0.00 -0.60 0.00 0.00 56.93 56.37 3k6s s PHE 748 Cb -0.08 -0.91 0.06 0.00 0.51 0.00 0.00 43.02 42.59 3k6s s PHE 748 CO 0.55 0.42 1.62 -2.00 0.70 0.00 0.00 175.22 176.51 3k6s s GLU 749 N -3.13 3.77 0.16 0.44 2.12 -0.90 -4.78 118.70 116.39 3k6s s GLU 749 Ca 0.20 -1.57 -0.34 0.00 0.36 0.00 0.00 54.97 53.62 3k6s s GLU 749 Cb -0.05 -5.45 -0.15 0.00 0.26 0.00 0.00 34.13 28.74 3k6s s GLU 749 CO 0.08 -2.28 1.33 1.17 -0.54 0.00 0.00 175.26 175.02 3k6s n LYS 750 N 8.62 1.49 -1.85 4.30 3.00 -1.26 -4.76 118.16 127.70 3k6s n LYS 750 Ca 0.42 0.53 -0.32 0.00 -0.00 0.00 0.00 58.31 58.94 3k6s n LYS 750 Cb 0.48 -2.15 -0.04 0.00 0.00 0.00 0.00 35.03 33.33 3k6s n LYS 750 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3k6s s ASN 751 N 0.33 4.82 -0.11 3.14 -0.87 -1.26 -4.78 114.94 116.21 3k6s s ASN 751 Ca 0.76 0.28 0.04 0.00 -1.57 0.00 0.00 52.86 52.36 3k6s s ASN 751 Cb -0.81 -2.53 0.27 0.00 -0.02 0.00 0.00 41.25 38.15 3k6s s ASN 751 CO 0.48 -2.81 1.08 0.00 -2.57 0.00 0.00 177.10 173.28 3k6s n GLY 753 N 0.11 2.87 0.00 0.00 0.00 -1.26 -4.75 105.19 102.16 3k6s n GLY 753 Ca 0.14 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.22 3k6s n GLY 753 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s n ALA 754 N -1.25 1.90 -3.00 4.61 0.00 -1.26 -4.81 120.51 116.70 3k6s n ALA 754 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3k6s n ALA 754 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3k6s n ALA 754 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k6s n ASP 755 N -1.19 0.00 0.00 0.00 5.68 -1.26 -5.02 116.55 114.76 3k6s n ASP 755 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 3k6s n ASP 755 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3k6s n ASP 755 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3k6s n HIS 756 N 0.00 0.00 -0.46 2.11 -0.00 -1.26 -4.59 115.22 111.02 3k6s n HIS 756 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k6s n HIS 756 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.84 3k6s n HIS 756 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3k6s n ILE 757 N -2.00 0.00 -2.93 3.57 0.13 -1.26 -4.44 119.36 112.43 3k6s n ILE 757 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 3k6s n ILE 757 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 39.64 38.69 3k6s n ILE 757 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3k6s s GLN 759 N -1.53 3.99 -0.64 0.00 -1.52 -1.26 -4.99 119.66 113.71 3k6s s GLN 759 Ca 0.04 -0.16 -0.23 0.00 -1.95 0.00 0.00 55.36 53.05 3k6s s GLN 759 Cb -0.01 -3.65 0.06 0.00 -0.22 0.00 0.00 33.01 29.20 3k6s s GLN 759 CO 0.52 -0.20 0.98 -0.51 -0.25 0.00 0.00 175.29 175.84 3k6s s ASP 760 N 1.64 6.21 -0.28 5.90 1.01 -1.26 -0.37 116.67 129.52 3k6s s ASP 760 Ca 0.10 -0.78 0.01 0.00 0.71 0.00 0.00 52.55 52.59 3k6s s ASP 760 Cb -0.16 -2.43 0.08 0.00 1.01 0.00 0.00 42.92 41.42 3k6s s ASP 760 CO 0.10 -1.42 0.01 0.21 0.21 0.00 0.00 175.17 174.28 3k6s s ASN 761 N 3.47 4.12 -0.02 0.27 2.47 -1.26 -4.98 114.94 119.01 3k6s s ASN 761 Ca 0.25 -1.55 0.02 0.00 0.42 0.00 0.00 52.86 52.00 3k6s s ASN 761 Cb -0.15 -1.20 0.01 0.00 -1.45 0.00 0.00 41.25 38.45 3k6s s ASN 761 CO 0.13 -0.32 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.38 3k6s s LEU 762 N 1.33 1.71 0.47 3.21 1.43 -1.26 -1.95 118.68 123.62 3k6s s LEU 762 Ca 0.03 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 3k6s s LEU 762 Cb -0.18 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 3k6s s LEU 762 CO -0.12 0.02 0.25 -0.83 0.23 0.00 0.00 176.35 175.90 3k6s s GLY 763 N 0.31 2.41 -0.07 -3.19 0.00 -1.26 -4.90 107.32 100.63 3k6s s GLY 763 Ca -0.04 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 42.81 3k6s s GLY 763 CO -0.00 -1.93 0.59 -1.50 0.00 0.00 0.00 173.10 170.25 3k6s s ILE 764 N -2.67 0.01 -0.25 0.90 2.07 -1.26 -2.04 121.20 117.96 3k6s s ILE 764 Ca 0.35 -0.11 -0.26 0.00 -1.41 0.00 0.00 60.65 59.23 3k6s s ILE 764 Cb 0.01 -0.89 0.07 0.00 0.13 0.00 0.00 42.46 41.78 3k6s s ILE 764 CO 0.20 -0.06 0.73 -0.55 -1.91 0.00 0.00 174.94 173.35 3k6s s SER 765 N -1.02 -0.73 0.11 4.50 0.15 -1.00 -4.72 113.70 110.99 3k6s s SER 765 Ca -0.10 1.34 -0.05 0.00 0.70 0.00 0.00 55.95 57.84 3k6s s SER 765 Cb -0.02 1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.61 3k6s s SER 765 CO 0.07 -0.28 0.13 0.72 1.20 0.00 0.00 173.24 175.08 3k6s s PHE 766 N 0.20 0.51 0.14 3.44 -0.12 -1.26 -0.46 117.98 120.43 3k6s s PHE 766 Ca -0.01 -0.93 0.02 0.00 -0.05 0.00 0.00 56.93 55.95 3k6s s PHE 766 Cb -0.04 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.08 3k6s s PHE 766 CO 0.02 -0.55 0.15 -1.13 -0.05 0.00 0.00 175.22 173.66 3k6s n SER 767 N -0.07 -0.40 -3.76 1.98 3.41 -0.77 -4.98 113.62 109.02 3k6s n SER 767 Ca -0.10 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.34 3k6s n SER 767 Cb 0.63 0.84 -0.14 0.00 -0.26 0.00 0.00 64.21 65.28 3k6s n SER 767 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3k6s s PHE 768 N -3.15 2.11 -0.27 7.33 0.08 -1.26 -1.75 117.98 121.06 3k6s s PHE 768 Ca 0.15 -2.25 -0.28 0.00 0.12 0.00 0.00 56.93 54.67 3k6s s PHE 768 Cb 0.00 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3k6s s PHE 768 CO 0.11 -0.84 2.18 -2.14 -0.10 0.00 0.00 175.22 174.43 3k6s s PRO 769 N 0.87 3.02 0.00 0.24 0.02 -1.26 -2.82 135.00 135.07 3k6s s PRO 769 Ca 0.14 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3k6s s PRO 769 Cb -0.21 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 29.93 3k6s s PRO 769 CO -0.10 -2.23 0.00 0.41 -0.33 0.00 0.00 177.00 174.75 3k6s n GLY 770 N 5.75 1.08 3.60 0.52 0.00 -1.26 -4.97 105.19 109.91 3k6s n GLY 770 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3k6s n GLY 770 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k6s s LEU 771 N 0.00 3.46 -0.45 0.99 2.96 -1.13 -4.93 118.68 119.58 3k6s s LEU 771 Ca 0.00 1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 55.52 3k6s s LEU 771 Cb 0.00 -3.50 0.12 0.00 0.50 0.00 0.00 46.19 43.30 3k6s s LEU 771 CO 0.00 -1.88 0.28 -1.59 -1.32 0.00 0.00 176.35 171.84 3k6s s LYS 772 N 6.12 2.24 0.00 1.98 -2.85 -1.26 -4.82 119.74 121.15 3k6s s LYS 772 Ca 0.93 -1.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 3k6s s LYS 772 Cb -0.29 -3.74 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 3k6s s LYS 772 CO 0.34 -1.13 0.00 0.45 0.10 0.00 0.00 175.35 175.11 3k6s n SER 773 N 4.66 0.00 -3.01 0.03 2.88 -1.26 -4.74 113.62 112.19 3k6s n SER 773 Ca -0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 3k6s n SER 773 Cb 0.41 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 3k6s n SER 773 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3k6s n LEU 774 N 0.00 -6.32 -4.76 2.46 7.94 -1.26 -4.19 117.00 110.88 3k6s n LEU 774 Ca 0.00 0.55 -0.30 0.00 -1.11 0.00 0.00 56.01 55.15 3k6s n LEU 774 Cb 0.00 -2.81 -0.07 0.00 0.53 0.00 0.00 43.42 41.07 3k6s n LEU 774 CO 0.00 -1.91 -0.28 -1.48 -1.11 0.00 0.00 177.39 172.61 3k6s s LEU 775 N -2.22 3.73 -0.63 -1.96 0.05 -1.26 -2.68 118.68 113.70 3k6s s LEU 775 Ca 0.21 -0.05 -0.26 0.00 0.05 0.00 0.00 54.13 54.07 3k6s s LEU 775 Cb -0.04 -2.42 0.04 0.00 -2.05 0.00 0.00 46.19 41.72 3k6s s LEU 775 CO 0.72 0.17 1.12 -0.69 -0.55 0.00 0.00 176.35 177.13 3k6s s VAL 776 N -1.39 4.06 0.00 1.48 1.01 -0.90 -3.44 120.40 121.22 3k6s s VAL 776 Ca 0.29 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3k6s s VAL 776 Cb -0.12 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.53 3k6s s VAL 776 CO 0.21 -1.46 0.00 0.61 0.00 0.00 0.00 175.10 174.46 3k6s n GLY 777 N 5.21 1.79 3.97 4.51 0.00 -1.26 -2.20 105.19 117.21 3k6s n GLY 777 Ca 0.03 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3k6s n GLY 777 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k6s s SER 778 N 0.00 4.28 -1.05 1.61 0.01 -1.22 -4.61 113.70 112.71 3k6s s SER 778 Ca 0.00 -0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.06 3k6s s SER 778 Cb 0.00 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 3k6s s SER 778 CO 0.00 -1.91 0.78 0.59 0.41 0.00 0.00 173.24 173.10 3k6s n ASN 779 N -2.99 -5.69 -0.02 2.44 5.03 -1.26 -4.53 115.26 108.23 3k6s n ASN 779 Ca 0.13 -0.88 -0.10 0.00 0.87 0.00 0.00 54.58 54.60 3k6s n ASN 779 Cb 0.60 -3.58 -0.08 0.00 -1.02 0.00 0.00 39.78 35.70 3k6s n ASN 779 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3k6s h LEU 780 N -1.41 -0.07 -9.92 3.41 6.46 -1.86 -3.45 115.31 108.47 3k6s h LEU 780 Ca -0.58 -0.52 -0.47 0.00 -0.12 0.00 0.00 57.88 56.18 3k6s h LEU 780 Cb 1.32 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.26 3k6s h LEU 780 CO 0.45 0.64 0.38 -1.83 -0.62 0.00 0.00 178.44 177.46 3k6s s GLU 781 N -2.57 4.40 -0.28 1.25 -1.05 -1.26 -0.96 118.70 118.23 3k6s s GLU 781 Ca -0.12 1.41 0.02 0.00 -0.15 0.00 0.00 54.97 56.13 3k6s s GLU 781 Cb -0.01 -2.67 0.08 0.00 -0.44 0.00 0.00 34.13 31.08 3k6s s GLU 781 CO 0.46 0.09 -0.02 -1.17 0.95 0.00 0.00 175.26 175.56 3k6s s LEU 782 N -2.33 3.35 -0.33 1.83 2.96 -0.62 -4.95 118.68 118.59 3k6s s LEU 782 Ca 0.54 -1.55 -0.26 0.00 -0.22 0.00 0.00 54.13 52.64 3k6s s LEU 782 Cb -0.20 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3k6s s LEU 782 CO 0.25 -0.28 0.91 0.20 -1.32 0.00 0.00 176.35 176.11 3k6s s ASN 783 N 1.21 6.75 -0.18 3.68 0.01 -1.26 -1.97 114.94 123.17 3k6s s ASN 783 Ca -0.00 0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 52.88 3k6s s ASN 783 Cb -0.19 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 3k6s s ASN 783 CO -0.08 -0.76 -0.09 0.00 -1.51 0.00 0.00 177.10 174.66 3k6s s ALA 784 N 3.29 2.70 -0.62 0.60 0.00 -0.96 -4.25 121.76 122.52 3k6s s ALA 784 Ca 0.38 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 3k6s s ALA 784 Cb -0.13 -1.48 0.16 0.00 0.00 0.00 0.00 23.12 21.67 3k6s s ALA 784 CO 0.15 -0.18 0.57 -2.00 0.00 0.00 0.00 175.76 174.30 3k6s s GLU 785 N 1.05 3.12 -0.25 0.00 2.12 -0.72 -2.12 118.70 121.90 3k6s s GLU 785 Ca -0.00 -1.96 -0.11 0.00 0.36 0.00 0.00 54.97 53.26 3k6s s GLU 785 Cb -0.15 -4.29 -0.05 0.00 0.26 0.00 0.00 34.13 29.90 3k6s s GLU 785 CO -0.01 -1.30 0.19 0.54 -0.54 0.00 0.00 175.26 174.14 3k6s s VAL 786 N 1.11 5.33 0.29 3.70 0.11 -1.06 -1.86 120.40 128.03 3k6s s VAL 786 Ca 0.08 0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.43 3k6s s VAL 786 Cb -0.24 -3.53 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 3k6s s VAL 786 CO -0.01 0.31 0.36 -0.32 -3.33 0.00 0.00 175.10 172.11 3k6s s MET 787 N 1.30 3.12 -0.04 1.54 1.75 0.39 -2.25 119.30 125.11 3k6s s MET 787 Ca 0.09 -0.99 -0.27 0.00 -1.25 0.00 0.00 55.69 53.26 3k6s s MET 787 Cb -0.14 -2.74 0.06 0.00 2.84 0.00 0.00 34.83 34.84 3k6s s MET 787 CO 0.07 0.23 0.59 0.54 -0.65 0.00 0.00 175.02 175.80 3k6s s VAL 788 N -2.13 0.01 0.46 10.11 0.11 -0.93 -2.39 120.40 125.64 3k6s s VAL 788 Ca 0.39 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 3k6s s VAL 788 Cb -0.08 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 3k6s s VAL 788 CO 0.29 -0.06 0.30 0.26 -3.33 0.00 0.00 175.10 172.56 3k6s s TRP 789 N -1.25 2.28 -0.48 1.54 0.51 -0.87 -2.46 118.94 118.21 3k6s s TRP 789 Ca -0.12 -0.66 0.06 0.00 -2.12 0.00 0.00 56.10 53.27 3k6s s TRP 789 Cb -0.01 -1.99 0.21 0.00 -0.81 0.00 0.00 33.47 30.86 3k6s s TRP 789 CO 0.08 -0.12 0.69 -1.71 -0.51 0.00 0.00 176.95 175.39 3k6s n ASN 790 N -1.50 -2.48 -1.17 2.95 5.15 -1.23 -3.99 115.26 112.99 3k6s n ASN 790 Ca -0.01 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 51.09 3k6s n ASN 790 Cb 0.64 1.18 0.21 0.00 -0.53 0.00 0.00 39.78 41.28 3k6s n ASN 790 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3k6s n ASP 791 N 2.40 3.31 -0.15 1.20 8.00 -0.82 -2.90 116.55 127.59 3k6s n ASP 791 Ca 0.18 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.25 3k6s n ASP 791 Cb 0.56 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3k6s n ASP 791 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6s n GLY 792 N 0.41 5.18 3.44 0.44 0.00 -0.99 -4.85 105.19 108.81 3k6s n GLY 792 Ca 0.14 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3k6s n GLY 792 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k6s n GLU 793 N 0.00 0.02 -1.83 1.61 4.07 0.50 -4.54 120.64 120.47 3k6s n GLU 793 Ca 0.00 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.73 3k6s n GLU 793 Cb 0.00 -1.84 -0.03 0.00 -0.06 0.00 0.00 31.44 29.51 3k6s n GLU 793 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3k6s s ASP 794 N -1.73 6.50 -0.17 4.31 1.01 -1.26 -4.64 116.67 120.69 3k6s s ASP 794 Ca 0.61 2.66 -0.16 0.00 0.71 0.00 0.00 52.55 56.37 3k6s s ASP 794 Cb -0.28 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.03 3k6s s ASP 794 CO 0.63 -0.93 0.39 -0.94 0.21 0.00 0.00 175.17 174.53 3k6s s SER 795 N 2.10 6.49 0.00 0.27 1.04 -1.06 -5.02 113.70 117.52 3k6s s SER 795 Ca 0.76 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3k6s s SER 795 Cb -0.44 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3k6s s SER 795 CO 0.33 -0.02 0.00 -1.22 0.98 0.00 0.00 173.24 173.32 3k6s n TYR 796 N 4.09 0.00 -0.78 5.02 4.02 -1.26 -2.27 117.16 125.98 3k6s n TYR 796 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.69 3k6s n TYR 796 Cb 0.51 -0.10 0.02 0.00 -0.02 0.00 0.00 39.34 39.75 3k6s n TYR 796 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k6s n GLY 797 N 2.09 3.54 3.57 2.72 0.00 -1.26 -4.51 105.19 111.33 3k6s n GLY 797 Ca 0.00 -0.75 -0.52 0.00 0.00 0.00 0.00 46.02 44.75 3k6s n GLY 797 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k6s n THR 798 N 0.82 0.33 -4.37 2.61 5.66 -1.26 -3.49 114.28 114.57 3k6s n THR 798 Ca 0.21 -0.08 -0.28 0.00 -3.05 0.00 0.00 64.05 60.85 3k6s n THR 798 Cb 0.56 -0.68 -0.11 0.00 -1.55 0.00 0.00 70.33 68.54 3k6s n THR 798 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k6s s THR 799 N 0.17 2.59 -0.19 1.09 -4.23 -0.73 -2.05 115.64 112.28 3k6s s THR 799 Ca 0.81 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.48 3k6s s THR 799 Cb -0.97 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 70.71 3k6s s THR 799 CO 0.50 -0.03 0.05 -0.51 -0.54 0.00 0.00 174.62 174.09 3k6s s ILE 800 N -1.46 0.35 0.08 2.99 1.10 -0.65 -2.75 121.20 120.87 3k6s s ILE 800 Ca 0.20 -0.45 0.06 0.00 -0.51 0.00 0.00 60.65 59.94 3k6s s ILE 800 Cb -0.09 -0.91 -0.04 0.00 0.15 0.00 0.00 42.46 41.58 3k6s s ILE 800 CO 0.10 -0.23 -0.06 0.42 -2.11 0.00 0.00 174.94 173.06 3k6s s THR 801 N 1.94 3.63 0.20 4.00 -4.23 -0.64 -1.22 115.64 119.32 3k6s s THR 801 Ca -0.00 -1.09 0.11 0.00 -1.18 0.00 0.00 61.69 59.52 3k6s s THR 801 Cb -0.17 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 3k6s s THR 801 CO -0.08 0.16 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.62 3k6s s PHE 802 N -1.21 2.43 -0.11 3.99 0.40 -1.04 -1.16 117.98 121.29 3k6s s PHE 802 Ca 0.22 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3k6s s PHE 802 Cb -0.11 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.23 3k6s s PHE 802 CO 0.14 0.53 -0.16 -1.54 0.70 0.00 0.00 175.22 174.90 3k6s s SER 803 N -2.87 3.80 0.02 1.36 1.04 -1.10 -2.23 113.70 113.72 3k6s s SER 803 Ca 0.24 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 3k6s s SER 803 Cb -0.08 -1.43 0.02 0.00 0.10 0.00 0.00 66.02 64.64 3k6s s SER 803 CO 0.13 0.19 0.32 -1.38 0.98 0.00 0.00 173.24 173.48 3k6s s HIS 804 N 0.17 -0.15 0.79 5.02 -3.43 -0.99 -2.64 115.29 114.05 3k6s s HIS 804 Ca -0.09 0.11 -0.12 0.00 -0.80 0.00 0.00 55.06 54.16 3k6s s HIS 804 Cb -0.15 0.11 0.07 0.00 -1.43 0.00 0.00 32.58 31.18 3k6s s HIS 804 CO 0.05 -0.47 1.14 -1.25 -2.00 0.00 0.00 174.74 172.22 3k6s s PRO 805 N -2.08 1.90 0.59 -0.38 0.04 -1.26 -1.96 135.00 131.85 3k6s s PRO 805 Ca -0.08 1.49 0.30 0.00 0.04 0.00 0.00 61.00 62.75 3k6s s PRO 805 Cb -0.02 -1.83 1.38 0.00 0.04 0.00 0.00 34.50 34.07 3k6s s PRO 805 CO -0.00 -1.96 1.76 0.00 0.04 0.00 0.00 177.00 176.84 3k6s h ALA 806 N -0.96 2.48 0.00 8.56 0.00 -1.83 -3.12 119.26 124.38 3k6s h ALA 806 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3k6s h ALA 806 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3k6s h ALA 806 CO 0.48 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 179.10 3k6s n GLY 807 N -1.59 -0.15 3.51 0.00 0.00 -1.26 -4.74 105.19 100.97 3k6s n GLY 807 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3k6s n GLY 807 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3k6s s LEU 808 N -0.72 -0.45 0.25 0.99 0.05 -1.18 -2.35 118.68 115.27 3k6s s LEU 808 Ca 0.00 0.23 -0.04 0.00 0.05 0.00 0.00 54.13 54.37 3k6s s LEU 808 Cb 0.00 2.17 -0.02 0.00 -2.05 0.00 0.00 46.19 46.28 3k6s s LEU 808 CO 0.00 -0.60 0.32 -0.44 -0.55 0.00 0.00 176.35 175.07 3k6s s SER 809 N -1.94 0.37 0.07 1.48 0.01 -1.09 -4.91 113.70 107.70 3k6s s SER 809 Ca -0.00 -1.30 -0.21 0.00 1.31 0.00 0.00 55.95 55.74 3k6s s SER 809 Cb -0.01 0.51 -0.06 0.00 0.21 0.00 0.00 66.02 66.67 3k6s s SER 809 CO -0.04 -1.04 0.62 -0.47 0.41 0.00 0.00 173.24 172.73 3k6s s TYR 810 N -3.84 3.79 -0.03 2.43 6.14 -1.26 -1.87 117.35 122.71 3k6s s TYR 810 Ca 0.33 1.33 0.05 0.00 0.64 0.00 0.00 57.07 59.41 3k6s s TYR 810 Cb 0.03 -2.59 -0.01 0.00 0.42 0.00 0.00 41.96 39.81 3k6s s TYR 810 CO 0.14 0.50 -0.18 -0.98 0.64 0.00 0.00 175.55 175.68 3k6s s ARG 811 N -0.83 1.67 0.44 4.97 1.70 -0.87 -4.93 118.95 121.09 3k6s s ARG 811 Ca 0.31 -0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 54.69 3k6s s ARG 811 Cb -0.20 -1.51 -0.09 0.00 -0.57 0.00 0.00 34.95 32.58 3k6s s ARG 811 CO 0.20 0.30 1.34 0.98 -1.08 0.00 0.00 175.30 177.03 3k6s n TYR 812 N 2.96 2.35 -0.08 5.89 9.36 -1.26 -4.35 117.16 132.03 3k6s n TYR 812 Ca -0.17 0.47 -0.14 0.00 3.32 0.00 0.00 57.90 61.39 3k6s n TYR 812 Cb 0.53 -2.41 -0.09 0.00 -0.63 0.00 0.00 39.34 36.75 3k6s n TYR 812 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3k6s h VAL 813 N 2.15 0.89 -5.66 2.97 2.07 -1.94 -3.49 116.25 113.23 3k6s h VAL 813 Ca -0.49 -1.87 -0.28 0.00 0.82 0.00 0.00 66.70 64.88 3k6s h VAL 813 Cb 1.28 1.88 0.15 0.00 -1.52 0.00 0.00 31.29 33.09 3k6s h VAL 813 CO 0.60 0.30 -0.82 0.00 0.02 0.00 0.00 177.57 177.68 3k6s n ALA 814 N -3.14 -2.51 -2.53 1.67 0.00 -1.26 -5.01 120.51 107.73 3k6s n ALA 814 Ca -0.17 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 3k6s n ALA 814 Cb 0.46 -5.00 -0.07 0.00 0.00 0.00 0.00 19.45 14.85 3k6s n ALA 814 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k6s s GLU 815 N -4.70 2.33 0.00 0.00 0.41 -1.26 -5.03 118.70 110.45 3k6s s GLU 815 Ca 0.42 -1.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3k6s s GLU 815 Cb -0.08 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3k6s s GLU 815 CO 0.77 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 176.08 3k6s n GLY 816 N -1.11 -2.18 0.08 -1.39 0.00 -1.26 -5.01 105.19 94.32 3k6s n GLY 816 Ca -0.03 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3k6s n GLY 816 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k6s n GLN 817 N -0.47 0.01 0.00 1.61 6.02 -1.26 -1.71 117.38 121.58 3k6s n GLN 817 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 3k6s n GLN 817 Cb 0.00 -0.69 0.00 0.00 1.02 0.00 0.00 30.24 30.57 3k6s n GLN 817 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3k6s n LYS 818 N -0.99 0.00 -3.64 -1.09 2.85 -1.26 -5.20 118.16 108.84 3k6s n LYS 818 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 3k6s n LYS 818 Cb 0.26 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.57 3k6s n LYS 818 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3k6s s GLN 819 N 0.00 0.65 0.00 -1.58 -0.21 -0.69 -5.17 119.66 112.65 3k6s s GLN 819 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.44 3k6s s GLN 819 Cb 0.00 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.17 3k6s s GLN 819 CO 0.00 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 3k6s n GLY 820 N 3.89 3.99 2.44 3.09 0.00 -1.26 -4.76 105.19 112.58 3k6s n GLY 820 Ca -0.19 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3k6s n GLY 820 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k6s n GLN 821 N -1.85 3.31 0.00 1.61 6.02 -1.26 -5.01 117.38 120.20 3k6s n GLN 821 Ca 0.00 -4.19 0.00 0.00 -0.01 0.00 0.00 57.00 52.80 3k6s n GLN 821 Cb 0.00 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.00 3k6s n GLN 821 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3k6s n LEU 822 N -0.57 0.00 -4.68 1.08 7.94 -1.26 -4.92 117.00 114.59 3k6s n LEU 822 Ca 0.44 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.97 3k6s n LEU 822 Cb 0.66 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.67 3k6s n LEU 822 CO 0.41 0.00 0.75 -1.14 -1.11 0.00 0.00 177.39 176.30 3k6s n ARG 823 N 0.00 0.96 -0.05 1.96 0.63 -1.24 -4.83 116.66 114.09 3k6s n ARG 823 Ca 0.00 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3k6s n ARG 823 Cb 0.00 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.52 3k6s n ARG 823 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3k6s n SER 824 N -1.57 0.00 -4.05 6.15 7.64 -1.26 -4.94 113.62 115.59 3k6s n SER 824 Ca 0.15 -1.02 -0.31 0.00 1.01 0.00 0.00 58.87 58.71 3k6s n SER 824 Cb 0.48 -0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 3k6s n SER 824 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k6s s LEU 825 N 0.00 1.82 -0.42 -3.43 1.43 -1.26 -5.08 118.68 111.74 3k6s s LEU 825 Ca 0.00 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3k6s s LEU 825 Cb 0.00 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.98 3k6s s LEU 825 CO 0.00 -0.04 1.09 -2.28 0.23 0.00 0.00 176.35 175.35 3k6s s HIS 826 N 1.42 2.95 0.04 0.29 5.65 -1.26 -5.02 115.29 119.37 3k6s s HIS 826 Ca 0.05 0.86 0.03 0.00 0.25 0.00 0.00 55.06 56.25 3k6s s HIS 826 Cb -0.13 -4.12 -0.02 0.00 -1.18 0.00 0.00 32.58 27.13 3k6s s HIS 826 CO -0.11 -1.07 -0.09 -0.48 -0.65 0.00 0.00 174.74 172.34 3k6s s LEU 827 N 4.10 2.24 -0.23 8.88 0.05 -1.26 -3.49 118.68 128.97 3k6s s LEU 827 Ca 0.46 -0.53 -0.06 0.00 0.05 0.00 0.00 54.13 54.05 3k6s s LEU 827 Cb -0.09 -0.25 -0.02 0.00 -2.05 0.00 0.00 46.19 43.78 3k6s s LEU 827 CO 0.25 -0.16 0.02 -0.89 -0.55 0.00 0.00 176.35 175.02 3k6s s THR 828 N -1.27 3.92 -0.03 5.48 2.01 -1.01 -4.88 115.64 119.86 3k6s s THR 828 Ca -0.07 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.68 3k6s s THR 828 Cb -0.09 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3k6s s THR 828 CO 0.01 0.39 -0.23 0.00 -0.69 0.00 0.00 174.62 174.09 3k6s s ASP 830 N -0.56 2.79 0.71 0.00 1.01 -0.41 -4.99 116.67 115.22 3k6s s ASP 830 Ca 0.08 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 3k6s s ASP 830 Cb -0.11 -0.71 0.02 0.00 1.01 0.00 0.00 42.92 43.13 3k6s s ASP 830 CO 0.00 -0.25 1.07 -0.94 0.21 0.00 0.00 175.17 175.25 3k6s s SER 831 N 1.78 5.22 -0.30 0.27 1.04 -1.26 -2.62 113.70 117.82 3k6s s SER 831 Ca -0.00 1.64 -0.25 0.00 0.48 0.00 0.00 55.95 57.82 3k6s s SER 831 Cb -0.16 -2.48 0.19 0.00 0.10 0.00 0.00 66.02 63.66 3k6s s SER 831 CO -0.07 -1.55 1.41 0.00 0.98 0.00 0.00 173.24 174.01 3k6s s ALA 832 N -3.03 -2.23 0.18 5.32 0.00 -0.74 -4.96 121.76 116.30 3k6s s ALA 832 Ca 0.59 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.94 3k6s s ALA 832 Cb -0.14 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 3k6s s ALA 832 CO 0.55 -0.11 1.22 -1.25 0.00 0.00 0.00 175.76 176.17 3k6s s PRO 833 N 0.08 4.47 0.00 0.00 0.04 -1.26 -1.76 135.00 136.56 3k6s s PRO 833 Ca 0.07 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3k6s s PRO 833 Cb -0.05 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3k6s s PRO 833 CO -0.15 -0.13 0.00 0.28 0.04 0.00 0.00 177.00 177.04 3k6s n VAL 834 N 2.62 0.00 -0.47 -0.36 0.31 -1.23 -4.85 118.33 114.35 3k6s n VAL 834 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 3k6s n VAL 834 Cb 0.44 -0.50 0.24 0.00 -0.91 0.00 0.00 33.84 33.12 3k6s n VAL 834 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k6s n GLY 835 N 3.88 -2.66 0.35 2.92 0.00 -1.10 -4.92 105.19 103.66 3k6s n GLY 835 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3k6s n GLY 835 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3k6s h SER 836 N -2.78 -1.15 -2.21 1.61 0.87 -2.00 -3.40 113.55 104.49 3k6s h SER 836 Ca -0.53 0.12 -0.47 0.00 -1.23 0.00 0.00 61.79 59.69 3k6s h SER 836 Cb 1.29 0.42 -0.34 0.00 -0.44 0.00 0.00 62.40 63.33 3k6s h SER 836 CO 0.38 -0.42 -0.77 -1.58 -0.53 0.00 0.00 176.83 173.91 3k6s s GLN 837 N -5.02 0.64 0.00 2.24 0.74 -1.26 -5.02 119.66 111.98 3k6s s GLN 837 Ca -0.12 -1.17 0.00 0.00 0.05 0.00 0.00 55.36 54.12 3k6s s GLN 837 Cb 0.04 -0.99 0.00 0.00 1.10 0.00 0.00 33.01 33.16 3k6s s GLN 837 CO 0.44 -1.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 3k6s n GLY 838 N 4.00 1.95 3.79 2.59 0.00 -1.26 -5.12 105.19 111.13 3k6s n GLY 838 Ca 0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3k6s n GLY 838 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k6s s THR 839 N 0.00 2.34 -0.17 2.61 -4.23 -1.26 -3.20 115.64 111.73 3k6s s THR 839 Ca 0.00 0.11 -0.34 0.00 -1.18 0.00 0.00 61.69 60.28 3k6s s THR 839 Cb 0.00 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.13 3k6s s THR 839 CO 0.00 -0.14 1.17 -1.66 -0.54 0.00 0.00 174.62 173.45 3k6s s TRP 840 N -3.23 -0.16 -0.13 3.99 1.48 -0.83 -2.72 118.94 117.35 3k6s s TRP 840 Ca 0.63 0.12 -0.04 0.00 -1.06 0.00 0.00 56.10 55.74 3k6s s TRP 840 Cb -0.15 0.51 -0.03 0.00 -1.16 0.00 0.00 33.47 32.64 3k6s s TRP 840 CO 0.54 -0.24 0.02 0.45 -4.06 0.00 0.00 176.95 173.66 3k6s s SER 841 N -2.11 5.36 -0.48 -2.66 0.15 -0.73 -2.36 113.70 110.88 3k6s s SER 841 Ca 0.08 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 3k6s s SER 841 Cb -0.01 -1.74 0.13 0.00 -1.71 0.00 0.00 66.02 62.69 3k6s s SER 841 CO -0.05 0.27 0.31 0.42 1.20 0.00 0.00 173.24 175.39 3k6s s THR 842 N -0.25 3.68 0.54 6.45 -4.23 -0.95 -1.80 115.64 119.09 3k6s s THR 842 Ca 0.07 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.21 3k6s s THR 842 Cb -0.12 -3.46 -0.06 0.00 1.34 0.00 0.00 72.50 70.20 3k6s s THR 842 CO 0.02 -0.76 1.01 -0.94 -0.54 0.00 0.00 174.62 173.41 3k6s s SER 843 N 1.80 6.33 -0.36 3.99 1.04 -1.08 -2.49 113.70 122.94 3k6s s SER 843 Ca 0.10 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.21 3k6s s SER 843 Cb -0.23 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.54 3k6s s SER 843 CO -0.03 -0.79 0.42 0.00 0.98 0.00 0.00 173.24 173.82 3k6s s ARG 845 N 1.78 4.29 -0.59 0.00 1.70 -0.69 -1.64 118.95 123.81 3k6s s ARG 845 Ca 0.15 1.13 -0.26 0.00 -0.47 0.00 0.00 55.73 56.28 3k6s s ARG 845 Cb -0.13 -3.59 -0.10 0.00 -0.57 0.00 0.00 34.95 30.57 3k6s s ARG 845 CO -0.11 -0.41 2.42 -0.89 -1.08 0.00 0.00 175.30 175.23 3k6s n ILE 846 N 4.89 -0.06 0.00 4.99 5.41 -0.87 -2.40 119.36 131.32 3k6s n ILE 846 Ca 0.07 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.12 3k6s n ILE 846 Cb 0.48 -2.51 0.00 0.00 -0.71 0.00 0.00 39.64 36.91 3k6s n ILE 846 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3k6s n ASN 847 N 16.49 0.00 -2.83 4.38 5.15 -1.23 -4.31 115.26 132.91 3k6s n ASN 847 Ca 0.41 0.51 -0.30 0.00 -0.60 0.00 0.00 54.58 54.60 3k6s n ASN 847 Cb 0.50 -0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.73 3k6s n ASN 847 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k6s n HIS 848 N -0.83 3.58 0.00 1.20 1.44 -1.26 -4.92 115.22 114.42 3k6s n HIS 848 Ca 0.00 -3.34 0.00 0.00 -2.01 0.00 0.00 57.72 52.37 3k6s n HIS 848 Cb 0.00 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 29.64 3k6s n HIS 848 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3k6s n LEU 849 N -0.35 0.00 -4.93 2.39 -0.00 -1.26 -5.14 117.00 107.71 3k6s n LEU 849 Ca 0.38 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.13 3k6s n LEU 849 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 3k6s n LEU 849 CO 0.37 0.00 0.05 -0.63 -0.00 0.00 0.00 177.39 177.19 3k6s s ILE 850 N -2.00 5.18 -0.37 1.47 1.01 -1.26 -4.81 121.20 120.42 3k6s s ILE 850 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3k6s s ILE 850 Cb 0.00 -3.76 0.11 0.00 0.01 0.00 0.00 42.46 38.82 3k6s s ILE 850 CO 0.00 -0.25 0.11 0.12 0.00 0.00 0.00 174.94 174.92 3k6s s PHE 851 N -1.95 3.04 0.34 3.97 5.99 -0.96 -5.06 117.98 123.34 3k6s s PHE 851 Ca 0.39 -2.69 0.07 0.00 0.00 0.00 0.00 56.93 54.70 3k6s s PHE 851 Cb -0.11 -2.54 -0.03 0.00 0.00 0.00 0.00 43.02 40.35 3k6s s PHE 851 CO 0.30 -0.89 0.29 1.03 -0.00 0.00 0.00 175.22 175.95 3k6s s ARG 852 N 0.83 2.71 0.67 10.12 0.52 -1.26 -2.56 118.95 129.98 3k6s s ARG 852 Ca 0.12 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3k6s s ARG 852 Cb -0.20 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.80 3k6s s ARG 852 CO -0.10 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.73 3k6s n GLY 853 N -1.37 0.59 1.19 -3.53 0.00 -1.26 -2.63 105.19 98.18 3k6s n GLY 853 Ca -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 3k6s n GLY 853 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6s n GLY 854 N 0.00 2.30 3.76 -0.02 0.00 -1.14 -4.43 105.19 105.65 3k6s n GLY 854 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3k6s n GLY 854 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s s ALA 855 N -0.23 3.39 0.20 4.61 0.00 -1.08 -4.76 121.76 123.89 3k6s s ALA 855 Ca 0.04 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.45 3k6s s ALA 855 Cb 0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3k6s s ALA 855 CO 0.01 0.18 0.16 1.14 0.00 0.00 0.00 175.76 177.25 3k6s s GLN 856 N -0.69 2.92 -0.06 0.00 -2.07 -1.26 -3.53 119.66 114.97 3k6s s GLN 856 Ca 0.38 -0.93 -0.11 0.00 -1.82 0.00 0.00 55.36 52.88 3k6s s GLN 856 Cb -0.23 -2.62 0.02 0.00 -1.09 0.00 0.00 33.01 29.09 3k6s s GLN 856 CO 0.26 0.45 0.26 0.96 -1.32 0.00 0.00 175.29 175.91 3k6s s ILE 857 N -1.89 0.03 -0.07 3.63 -4.36 -1.03 -5.00 121.20 112.51 3k6s s ILE 857 Ca 0.32 -0.27 0.04 0.00 -0.26 0.00 0.00 60.65 60.48 3k6s s ILE 857 Cb -0.09 -0.47 -0.00 0.00 1.25 0.00 0.00 42.46 43.14 3k6s s ILE 857 CO 0.24 -0.15 -0.20 0.42 0.24 0.00 0.00 174.94 175.49 3k6s s THR 858 N -0.59 1.68 0.20 8.37 -4.23 -1.26 -2.20 115.64 117.61 3k6s s THR 858 Ca -0.07 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 3k6s s THR 858 Cb -0.04 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 3k6s s THR 858 CO 0.02 0.48 0.03 0.72 -0.54 0.00 0.00 174.62 175.32 3k6s s PHE 859 N 0.20 1.31 -0.15 3.99 -0.71 -0.95 -3.64 117.98 118.03 3k6s s PHE 859 Ca -0.10 -1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 54.71 3k6s s PHE 859 Cb -0.15 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 3k6s s PHE 859 CO 0.05 -0.24 -0.09 -1.17 -1.34 0.00 0.00 175.22 172.42 3k6s s LEU 860 N -3.22 2.91 -0.11 -1.99 0.20 -1.26 -2.55 118.68 112.66 3k6s s LEU 860 Ca 0.28 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.84 3k6s s LEU 860 Cb 0.06 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.17 3k6s s LEU 860 CO 0.07 0.15 -0.12 0.00 -0.29 0.00 0.00 176.35 176.16 3k6s s ALA 861 N 0.45 1.56 -0.09 5.97 0.00 -0.90 -4.87 121.76 123.88 3k6s s ALA 861 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3k6s s ALA 861 Cb -0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3k6s s ALA 861 CO 0.04 -0.20 -0.08 0.99 0.00 0.00 0.00 175.76 176.51 3k6s s THR 862 N 1.24 3.60 -0.23 0.00 2.01 -1.26 -2.27 115.64 118.73 3k6s s THR 862 Ca -0.02 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 3k6s s THR 862 Cb -0.14 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 69.91 3k6s s THR 862 CO -0.04 0.57 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 3k6s s PHE 863 N -0.46 3.02 0.29 4.92 0.40 -0.83 -2.06 117.98 123.25 3k6s s PHE 863 Ca 0.07 -1.61 -0.29 0.00 -0.60 0.00 0.00 56.93 54.49 3k6s s PHE 863 Cb -0.12 -2.02 -0.10 0.00 0.51 0.00 0.00 43.02 41.29 3k6s s PHE 863 CO 0.02 -0.75 1.39 -0.51 0.70 0.00 0.00 175.22 176.07 3k6s s ASP 864 N 1.30 6.68 -0.06 1.36 1.01 -0.78 -1.59 116.67 124.60 3k6s s ASP 864 Ca 0.01 2.70 0.06 0.00 0.71 0.00 0.00 52.55 56.02 3k6s s ASP 864 Cb -0.16 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 3k6s s ASP 864 CO -0.06 -0.65 -0.23 0.54 0.21 0.00 0.00 175.17 174.98 3k6s s VAL 865 N -0.52 1.91 0.43 -1.27 0.11 -0.13 -2.66 120.40 118.26 3k6s s VAL 865 Ca 0.55 -0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 58.39 3k6s s VAL 865 Cb -0.41 -1.62 -0.09 0.00 -1.53 0.00 0.00 36.38 32.73 3k6s s VAL 865 CO 0.48 0.53 1.06 -0.94 -3.33 0.00 0.00 175.10 172.91 3k6s s SER 866 N -0.10 6.54 0.55 3.54 1.04 -0.99 -4.78 113.70 119.50 3k6s s SER 866 Ca -0.04 2.05 0.27 0.00 0.48 0.00 0.00 55.95 58.70 3k6s s SER 866 Cb -0.13 -2.58 1.60 0.00 0.10 0.00 0.00 66.02 65.01 3k6s s SER 866 CO 0.03 -0.64 2.17 -0.65 0.98 0.00 0.00 173.24 175.13 3k6s h PRO 867 N 2.15 0.00 -2.17 4.02 0.11 -1.93 -2.74 132.00 131.44 3k6s h PRO 867 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 3k6s h PRO 867 Cb 1.22 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.97 3k6s h PRO 867 CO 0.61 0.05 0.03 1.17 -0.21 0.00 0.00 178.00 179.65 3k6s n LYS 868 N -3.87 3.96 -2.72 1.05 4.81 -1.26 -4.57 118.16 115.56 3k6s n LYS 868 Ca -0.03 -4.66 -0.42 0.00 -0.87 0.00 0.00 58.31 52.33 3k6s n LYS 868 Cb 0.14 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 3k6s n LYS 868 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k6s s ALA 869 N -3.81 3.04 -0.28 3.14 0.00 -1.03 -4.99 121.76 117.82 3k6s s ALA 869 Ca 0.46 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 3k6s s ALA 869 Cb 0.28 -3.92 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 3k6s s ALA 869 CO -0.16 -2.66 1.53 0.08 0.00 0.00 0.00 175.76 174.55 3k6s s VAL 870 N 4.55 3.81 -0.16 0.00 1.01 -1.26 -4.95 120.40 123.40 3k6s s VAL 870 Ca 0.34 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 3k6s s VAL 870 Cb -0.11 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.49 3k6s s VAL 870 CO 0.19 -0.43 0.90 -1.48 0.00 0.00 0.00 175.10 174.29 3k6s s LEU 871 N 5.23 -0.49 1.14 3.92 0.05 -1.26 -4.51 118.68 122.77 3k6s s LEU 871 Ca 0.67 0.63 -0.18 0.00 0.05 0.00 0.00 54.13 55.31 3k6s s LEU 871 Cb -0.21 2.09 0.17 0.00 -2.05 0.00 0.00 46.19 46.19 3k6s s LEU 871 CO 0.29 -0.38 0.24 0.61 -0.55 0.00 0.00 176.35 176.56 3k6s n GLY 872 N 1.15 -2.59 0.00 -3.48 0.00 -1.26 -4.75 105.19 94.26 3k6s n GLY 872 Ca -0.13 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 44.98 3k6s n GLY 872 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k6s n ASP 873 N -2.34 0.00 -3.90 1.61 5.75 -1.26 -4.45 116.55 111.96 3k6s n ASP 873 Ca 0.03 0.19 -0.11 0.00 -0.01 0.00 0.00 54.79 54.89 3k6s n ASP 873 Cb 0.56 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.29 3k6s n ASP 873 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k6s s ARG 874 N -2.49 0.25 -0.13 0.11 0.52 -1.26 -2.14 118.95 113.81 3k6s s ARG 874 Ca 0.03 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 3k6s s ARG 874 Cb 0.02 0.10 0.02 0.00 0.52 0.00 0.00 34.95 35.61 3k6s s ARG 874 CO 0.05 -0.05 -0.11 -0.48 0.02 0.00 0.00 175.30 174.73 3k6s s LEU 875 N -0.84 1.46 0.30 2.53 0.05 -0.81 -4.95 118.68 116.42 3k6s s LEU 875 Ca -0.09 -0.39 0.06 0.00 0.05 0.00 0.00 54.13 53.76 3k6s s LEU 875 Cb -0.06 -1.00 -0.02 0.00 -2.05 0.00 0.00 46.19 43.06 3k6s s LEU 875 CO 0.00 -0.07 0.38 -1.48 -0.55 0.00 0.00 176.35 174.62 3k6s s LEU 876 N 1.50 3.97 -0.16 1.48 0.05 -1.26 -1.95 118.68 122.30 3k6s s LEU 876 Ca 0.03 -0.19 -0.28 0.00 0.05 0.00 0.00 54.13 53.74 3k6s s LEU 876 Cb -0.13 -2.62 0.07 0.00 -2.05 0.00 0.00 46.19 41.46 3k6s s LEU 876 CO -0.08 -0.28 0.70 -1.48 -0.55 0.00 0.00 176.35 174.66 3k6s s LEU 877 N -4.05 -0.70 0.00 1.48 0.05 -1.05 -4.53 118.68 109.87 3k6s s LEU 877 Ca 0.40 1.09 0.00 0.00 0.05 0.00 0.00 54.13 55.67 3k6s s LEU 877 Cb -0.08 2.50 -0.00 0.00 -2.05 0.00 0.00 46.19 46.56 3k6s s LEU 877 CO 0.29 -0.43 0.02 0.35 -0.55 0.00 0.00 176.35 176.03 3k6s n THR 878 N 1.81 0.00 -3.27 5.48 -2.24 -1.08 -2.48 114.28 112.50 3k6s n THR 878 Ca -0.16 -1.98 -0.06 0.00 -2.27 0.00 0.00 64.05 59.57 3k6s n THR 878 Cb 0.56 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 3k6s n THR 878 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k6s s ALA 879 N -2.75 -1.50 0.11 6.98 0.00 -0.54 -2.73 121.76 121.32 3k6s s ALA 879 Ca 0.02 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 3k6s s ALA 879 Cb 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 3k6s s ALA 879 CO 0.02 -1.92 1.25 -0.80 0.00 0.00 0.00 175.76 174.31 3k6s s ASN 880 N 2.29 7.01 -0.05 0.00 -0.87 -0.31 -3.14 114.94 119.86 3k6s s ASN 880 Ca 0.12 2.16 0.03 0.00 -1.57 0.00 0.00 52.86 53.59 3k6s s ASN 880 Cb -0.11 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.54 3k6s s ASN 880 CO -0.21 -0.50 -0.12 0.54 -2.57 0.00 0.00 177.10 174.24 3k6s s VAL 881 N 0.78 1.10 0.32 1.60 0.11 -1.26 -1.62 120.40 121.44 3k6s s VAL 881 Ca 0.59 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 3k6s s VAL 881 Cb -0.32 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.56 3k6s s VAL 881 CO 0.31 0.34 0.67 -0.94 -3.33 0.00 0.00 175.10 172.16 3k6s s SER 882 N 0.49 0.02 0.73 3.54 1.04 -1.11 -4.78 113.70 113.63 3k6s s SER 882 Ca -0.11 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 3k6s s SER 882 Cb -0.14 0.74 0.10 0.00 0.10 0.00 0.00 66.02 66.83 3k6s s SER 882 CO 0.03 -1.43 1.03 -0.94 0.98 0.00 0.00 173.24 172.90 3k6s s SER 883 N -3.03 4.42 0.44 7.02 1.04 -1.26 -1.78 113.70 120.56 3k6s s SER 883 Ca 0.17 0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.77 3k6s s SER 883 Cb -0.04 -0.55 0.99 0.00 0.10 0.00 0.00 66.02 66.53 3k6s s SER 883 CO 0.11 -1.82 2.08 -0.08 0.98 0.00 0.00 173.24 174.50 3k6s h GLU 884 N -0.66 0.37 -1.21 4.02 4.81 -1.89 -2.67 114.58 117.36 3k6s h GLU 884 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3k6s h GLU 884 Cb 1.28 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3k6s h GLU 884 CO 0.48 0.25 0.00 0.09 -0.73 0.00 0.00 179.01 179.10 3k6s n ASN 885 N -4.49 2.91 -0.81 1.04 3.02 -1.26 -4.82 115.26 110.84 3k6s n ASN 885 Ca 0.02 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3k6s n ASN 885 Cb 0.10 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3k6s n ASN 885 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k6s n ASN 886 N 0.66 -5.04 -4.10 6.41 3.02 -1.01 -4.45 115.26 110.75 3k6s n ASN 886 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3k6s n ASN 886 Cb 0.45 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 3k6s n ASN 886 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k6s s THR 887 N 0.00 3.91 -0.57 3.41 -4.23 -1.26 -4.30 115.64 112.61 3k6s s THR 887 Ca 0.00 -3.15 0.16 0.00 -1.18 0.00 0.00 61.69 57.52 3k6s s THR 887 Cb 0.00 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.48 3k6s s THR 887 CO 0.00 -0.93 1.48 -2.65 -0.54 0.00 0.00 174.62 171.98 3k6s n PRO 888 N 3.24 0.10 0.00 3.99 -0.02 -1.26 -4.85 135.00 136.20 3k6s n PRO 888 Ca 0.11 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3k6s n PRO 888 Cb 0.38 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3k6s n PRO 888 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k6s n ARG 889 N -1.96 0.50 0.00 -0.52 1.74 -1.26 -5.16 116.66 109.99 3k6s n ARG 889 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3k6s n ARG 889 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3k6s n ARG 889 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3k6s n THR 890 N 0.00 0.00 -2.49 0.55 -1.04 -1.26 -4.85 114.28 105.18 3k6s n THR 890 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3k6s n THR 890 Cb 0.00 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 3k6s n THR 890 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3k6s s SER 891 N -1.00 6.71 0.72 8.00 0.15 -1.26 -4.98 113.70 122.04 3k6s s SER 891 Ca 0.00 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 57.55 3k6s s SER 891 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 3k6s s SER 891 CO 0.00 -1.07 1.21 -0.54 1.20 0.00 0.00 173.24 174.04 3k6s s LYS 892 N 4.12 2.17 -0.90 5.44 -0.14 -1.26 -4.96 119.74 124.21 3k6s s LYS 892 Ca 0.53 1.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.91 3k6s s LYS 892 Cb -0.14 -1.84 0.29 0.00 -1.68 0.00 0.00 37.83 34.46 3k6s s LYS 892 CO 0.23 -1.82 1.18 -2.37 -0.76 0.00 0.00 175.35 171.82 3k6s n THR 893 N -2.67 4.13 -3.33 2.17 5.66 -1.26 -5.04 114.28 113.94 3k6s n THR 893 Ca 0.13 -5.65 -0.31 0.00 -3.05 0.00 0.00 64.05 55.17 3k6s n THR 893 Cb 0.50 -2.08 -0.05 0.00 -1.55 0.00 0.00 70.33 67.16 3k6s n THR 893 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k6s s THR 894 N -2.70 4.93 -0.08 1.09 -4.23 -1.26 -4.06 115.64 109.33 3k6s s THR 894 Ca 0.35 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3k6s s THR 894 Cb 0.09 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.30 3k6s s THR 894 CO 0.06 -0.18 -0.05 0.12 -0.54 0.00 0.00 174.62 174.03 3k6s s PHE 895 N -1.94 1.06 0.24 3.99 5.36 -1.19 -4.93 117.98 120.57 3k6s s PHE 895 Ca 0.47 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 56.08 3k6s s PHE 895 Cb -0.11 -0.94 -0.05 0.00 -0.34 0.00 0.00 43.02 41.57 3k6s s PHE 895 CO 0.24 -0.35 -0.03 1.14 -1.46 0.00 0.00 175.22 174.76 3k6s s GLN 896 N 1.46 1.38 -0.11 10.12 -2.07 -1.26 -1.47 119.66 127.71 3k6s s GLN 896 Ca -0.02 -1.69 -0.29 0.00 -1.82 0.00 0.00 55.36 51.54 3k6s s GLN 896 Cb -0.13 -0.80 0.07 0.00 -1.09 0.00 0.00 33.01 31.06 3k6s s GLN 896 CO -0.04 -0.03 0.71 -0.48 -1.32 0.00 0.00 175.29 174.13 3k6s s LEU 897 N -3.34 -0.66 -0.07 2.60 0.05 -1.03 -5.00 118.68 111.22 3k6s s LEU 897 Ca 0.28 0.88 0.04 0.00 0.05 0.00 0.00 54.13 55.37 3k6s s LEU 897 Cb 0.05 2.48 -0.02 0.00 -2.05 0.00 0.00 46.19 46.65 3k6s s LEU 897 CO 0.09 -0.51 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.50 3k6s s GLU 898 N -0.80 2.71 0.06 1.48 2.12 -1.26 -2.52 118.70 120.49 3k6s s GLU 898 Ca -0.08 -0.78 0.10 0.00 0.36 0.00 0.00 54.97 54.57 3k6s s GLU 898 Cb -0.01 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 3k6s s GLU 898 CO 0.07 0.44 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.46 3k6s s LEU 899 N -0.27 2.20 0.08 2.70 1.43 -0.82 -4.97 118.68 119.03 3k6s s LEU 899 Ca 0.01 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 3k6s s LEU 899 Cb -0.13 -1.25 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 3k6s s LEU 899 CO 0.03 0.23 1.38 -2.84 0.23 0.00 0.00 176.35 175.39 3k6s s PRO 900 N -1.42 4.32 -0.04 1.29 0.02 -1.26 -1.93 135.00 135.97 3k6s s PRO 900 Ca 0.12 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.17 3k6s s PRO 900 Cb -0.10 -3.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 3k6s s PRO 900 CO 0.03 -0.47 -0.03 0.54 -0.33 0.00 0.00 177.00 176.74 3k6s s VAL 901 N 1.49 3.97 0.26 3.83 0.11 -0.91 -4.70 120.40 124.45 3k6s s VAL 901 Ca 0.64 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 3k6s s VAL 901 Cb -0.35 -2.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.81 3k6s s VAL 901 CO 0.29 0.51 0.02 0.29 -3.33 0.00 0.00 175.10 172.88 3k6s n LYS 902 N 1.88 1.18 -3.82 1.54 5.02 -1.09 -4.47 118.16 118.39 3k6s n LYS 902 Ca -0.17 -1.95 -0.12 0.00 -2.02 0.00 0.00 58.31 54.05 3k6s n LYS 902 Cb 0.53 0.66 -0.12 0.00 -0.02 0.00 0.00 35.03 36.08 3k6s n LYS 902 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3k6s s TYR 903 N -2.09 -0.15 0.40 2.13 2.02 -0.12 -2.11 117.35 117.43 3k6s s TYR 903 Ca 0.03 0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 56.84 3k6s s TYR 903 Cb 0.00 0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.52 3k6s s TYR 903 CO 0.02 -0.11 1.15 0.00 -1.57 0.00 0.00 175.55 175.04 3k6s s ALA 904 N -0.09 3.15 -0.10 3.71 0.00 -0.94 -2.11 121.76 125.38 3k6s s ALA 904 Ca -0.02 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 3k6s s ALA 904 Cb -0.02 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.77 3k6s s ALA 904 CO 0.00 -0.46 0.32 0.08 0.00 0.00 0.00 175.76 175.70 3k6s s VAL 905 N -1.45 0.01 -0.26 0.00 1.01 -0.49 -4.67 120.40 114.56 3k6s s VAL 905 Ca 0.57 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 3k6s s VAL 905 Cb -0.29 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3k6s s VAL 905 CO 0.37 -0.06 0.02 -0.47 0.00 0.00 0.00 175.10 174.95 3k6s s TYR 906 N -0.19 3.07 -0.15 5.22 6.14 -1.26 -3.35 117.35 126.83 3k6s s TYR 906 Ca -0.03 -0.94 -0.02 0.00 0.64 0.00 0.00 57.07 56.72 3k6s s TYR 906 Cb -0.03 -2.18 0.05 0.00 0.42 0.00 0.00 41.96 40.22 3k6s s TYR 906 CO 0.01 -0.55 0.01 0.99 0.64 0.00 0.00 175.55 176.66 3k6s s THR 907 N 1.49 0.52 0.16 4.34 2.01 -1.26 -1.62 115.64 121.28 3k6s s THR 907 Ca 0.04 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.81 3k6s s THR 907 Cb -0.16 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3k6s s THR 907 CO -0.00 -0.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.06 3k6s s VAL 908 N 1.88 1.72 -0.13 3.82 1.01 -0.64 -3.98 120.40 124.09 3k6s s VAL 908 Ca 0.01 -1.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.01 3k6s s VAL 908 Cb -0.15 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.47 3k6s s VAL 908 CO -0.07 -0.35 0.32 0.54 0.00 0.00 0.00 175.10 175.53 3k6s s VAL 909 N -2.13 -0.02 0.33 2.92 0.11 0.21 -1.67 120.40 120.14 3k6s s VAL 909 Ca 0.15 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 3k6s s VAL 909 Cb -0.05 -0.47 -0.06 0.00 -1.53 0.00 0.00 36.38 34.27 3k6s s VAL 909 CO 0.06 0.03 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.25 3k6s s SER 910 N 0.93 3.36 -0.62 3.54 0.15 0.21 -4.38 113.70 116.88 3k6s s SER 910 Ca -0.06 -1.22 -0.12 0.00 0.70 0.00 0.00 55.95 55.24 3k6s s SER 910 Cb -0.07 -0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.12 3k6s s SER 910 CO -0.07 -0.30 0.54 -0.55 1.20 0.00 0.00 173.24 174.06 3k6s s SER 911 N -3.56 6.15 0.38 5.45 0.15 -1.26 -1.91 113.70 119.10 3k6s s SER 911 Ca 0.32 -2.20 -0.25 0.00 0.70 0.00 0.00 55.95 54.52 3k6s s SER 911 Cb 0.04 -2.12 -0.12 0.00 -1.71 0.00 0.00 66.02 62.10 3k6s s SER 911 CO 0.15 -0.68 0.85 1.57 1.20 0.00 0.00 173.24 176.33 3k6s n HIS 912 N 4.60 0.64 1.81 3.44 -0.00 -0.63 -4.81 115.22 120.27 3k6s n HIS 912 Ca -0.02 0.63 0.00 0.00 0.46 0.00 0.00 57.72 58.79 3k6s n HIS 912 Cb 0.42 -2.15 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 3k6s n HIS 912 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3k6s n GLU 913 N 0.44 0.92 -1.60 1.57 0.28 -1.26 -3.85 120.64 117.13 3k6s n GLU 913 Ca 0.10 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.79 3k6s n GLU 913 Cb 0.37 -1.01 -0.05 0.00 1.43 0.00 0.00 31.44 32.18 3k6s n GLU 913 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k6s n GLN 914 N -0.49 3.34 -4.93 3.44 6.02 -1.26 -4.94 117.38 118.57 3k6s n GLN 914 Ca 0.00 -2.60 -0.33 0.00 -0.01 0.00 0.00 57.00 54.07 3k6s n GLN 914 Cb 0.01 -2.38 -0.14 0.00 1.02 0.00 0.00 30.24 28.74 3k6s n GLN 914 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3k6s s PHE 915 N -0.75 2.69 -0.99 1.08 5.36 -1.25 -4.44 117.98 119.69 3k6s s PHE 915 Ca 0.59 -0.50 -0.20 0.00 -0.96 0.00 0.00 56.93 55.86 3k6s s PHE 915 Cb 0.28 -1.71 0.10 0.00 -0.34 0.00 0.00 43.02 41.34 3k6s s PHE 915 CO -0.13 -0.07 1.29 0.99 -1.46 0.00 0.00 175.22 175.83 3k6s s THR 916 N -0.14 4.40 -0.56 0.12 2.01 -1.21 -4.94 115.64 115.33 3k6s s THR 916 Ca -0.02 -1.31 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 3k6s s THR 916 Cb -0.14 -4.91 0.14 0.00 0.01 0.00 0.00 72.50 67.60 3k6s s THR 916 CO 0.04 -1.70 0.48 -0.75 -0.69 0.00 0.00 174.62 171.99 3k6s s LYS 917 N 3.59 2.87 0.00 4.92 2.20 -1.26 -4.47 119.74 127.58 3k6s s LYS 917 Ca 0.39 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.14 3k6s s LYS 917 Cb -0.03 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 3k6s s LYS 917 CO -0.09 -1.27 0.53 2.48 -0.36 0.00 0.00 175.35 176.64 3k6s n TYR 918 N 4.89 0.00 -1.10 4.03 0.18 -1.25 -4.91 117.16 119.00 3k6s n TYR 918 Ca -0.07 -0.05 -0.37 0.00 1.88 0.00 0.00 57.90 59.29 3k6s n TYR 918 Cb 0.41 -0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.35 3k6s n TYR 918 CO 0.00 0.00 0.00 1.47 -2.08 0.00 0.00 176.86 176.25 3k6s n LEU 919 N -0.05 -1.25 -3.55 -3.48 -0.00 -1.14 -4.98 117.00 102.55 3k6s n LEU 919 Ca 0.00 0.85 -0.07 0.00 -0.00 0.00 0.00 56.01 56.78 3k6s n LEU 919 Cb 0.04 -0.74 -0.03 0.00 -0.00 0.00 0.00 43.42 42.68 3k6s n LEU 919 CO 0.00 -2.57 0.81 0.54 -0.00 0.00 0.00 177.39 176.17 3k6s s ASN 920 N -0.79 -0.29 0.55 1.45 4.22 0.18 -4.90 114.94 115.35 3k6s s ASN 920 Ca 0.50 0.08 0.36 0.00 -2.14 0.00 0.00 52.86 51.66 3k6s s ASN 920 Cb -0.69 0.29 1.65 0.00 1.28 0.00 0.00 41.25 43.77 3k6s s ASN 920 CO 0.46 -0.43 2.06 -0.26 -2.04 0.00 0.00 177.10 176.88 3k6s h PHE 921 N 2.12 0.00 -0.77 1.54 0.04 -1.90 -3.38 116.94 114.59 3k6s h PHE 921 Ca -0.17 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.12 3k6s h PHE 921 Cb 1.20 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.29 3k6s h PHE 921 CO 0.27 0.00 1.43 -1.54 -0.60 0.00 0.00 178.31 177.86 3k6s s SER 922 N -5.31 5.89 -0.58 2.17 1.04 -1.26 -3.26 113.70 112.38 3k6s s SER 922 Ca -0.01 -1.65 0.05 0.00 0.48 0.00 0.00 55.95 54.83 3k6s s SER 922 Cb 0.10 -2.58 0.20 0.00 0.10 0.00 0.00 66.02 63.84 3k6s s SER 922 CO 0.47 -2.12 0.51 1.21 0.98 0.00 0.00 173.24 174.29 3k6s n GLU 923 N 8.56 1.44 -0.03 4.02 4.07 -1.23 -4.91 120.64 132.56 3k6s n GLU 923 Ca 0.43 -4.06 -0.21 0.00 -0.06 0.00 0.00 57.16 53.26 3k6s n GLU 923 Cb 0.47 -2.00 -0.13 0.00 -0.06 0.00 0.00 31.44 29.72 3k6s n GLU 923 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3k6s h SER 924 N 5.04 0.26 -4.44 4.31 4.64 -1.87 -3.44 113.55 118.05 3k6s h SER 924 Ca 0.18 -0.78 -0.47 0.00 -0.47 0.00 0.00 61.79 60.25 3k6s h SER 924 Cb 0.79 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.70 3k6s h SER 924 CO 0.63 1.61 -0.35 -0.62 -0.87 0.00 0.00 176.83 177.22 3k6s n GLU 925 N -4.00 0.98 -3.52 4.77 4.71 -1.26 -5.09 120.64 117.21 3k6s n GLU 925 Ca -0.28 -2.70 -0.41 0.00 -0.01 0.00 0.00 57.16 53.76 3k6s n GLU 925 Cb 0.85 0.91 -0.06 0.00 -1.01 0.00 0.00 31.44 32.14 3k6s n GLU 925 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3k6s s GLU 926 N -3.30 3.15 0.00 3.49 2.02 -1.26 -4.99 118.70 117.81 3k6s s GLU 926 Ca 0.04 -2.60 0.00 0.00 0.02 0.00 0.00 54.97 52.43 3k6s s GLU 926 Cb 0.00 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 30.14 3k6s s GLU 926 CO 0.03 -1.24 0.00 1.63 0.02 0.00 0.00 175.26 175.70 3k6s n LYS 927 N 3.56 3.38 0.12 1.61 5.02 -1.26 -4.82 118.16 125.77 3k6s n LYS 927 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3k6s n LYS 927 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 3k6s n LYS 927 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3k6s n GLU 928 N 0.00 0.00 -3.63 1.97 0.28 -1.26 -3.53 120.64 114.47 3k6s n GLU 928 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 3k6s n GLU 928 Cb 0.00 -0.12 -0.07 0.00 1.43 0.00 0.00 31.44 32.68 3k6s n GLU 928 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3k6s s SER 929 N -5.19 5.70 -0.37 -1.84 0.15 -1.26 -3.06 113.70 107.83 3k6s s SER 929 Ca 0.00 -3.09 0.06 0.00 0.70 0.00 0.00 55.95 53.62 3k6s s SER 929 Cb 0.00 -1.93 0.44 0.00 -1.71 0.00 0.00 66.02 62.82 3k6s s SER 929 CO 0.00 -0.35 1.14 1.57 1.20 0.00 0.00 173.24 176.80 3k6s n HIS 930 N 3.22 3.06 -0.28 3.44 -0.00 -1.26 -4.94 115.22 118.46 3k6s n HIS 930 Ca 0.13 -2.74 -0.11 0.00 0.46 0.00 0.00 57.72 55.46 3k6s n HIS 930 Cb 0.39 -0.19 -0.02 0.00 -0.12 0.00 0.00 29.99 30.05 3k6s n HIS 930 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3k6s n VAL 931 N -0.56 0.00 -2.91 3.57 3.14 -1.26 -4.59 118.33 115.72 3k6s n VAL 931 Ca 0.40 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.53 3k6s n VAL 931 Cb 0.79 -0.03 0.01 0.00 -1.06 0.00 0.00 33.84 33.55 3k6s n VAL 931 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k6s s ALA 932 N 0.18 3.60 -0.20 1.55 0.00 -1.19 -4.90 121.76 120.79 3k6s s ALA 932 Ca 0.17 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3k6s s ALA 932 Cb -0.24 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 20.65 3k6s s ALA 932 CO 0.12 -0.36 0.05 1.41 0.00 0.00 0.00 175.76 176.98 3k6s s MET 933 N -4.61 0.56 -0.56 0.00 1.75 -1.26 -3.46 119.30 111.71 3k6s s MET 933 Ca 0.47 -0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 54.35 3k6s s MET 933 Cb -0.10 -2.02 0.14 0.00 2.84 0.00 0.00 34.83 35.69 3k6s s MET 933 CO 0.40 -0.69 0.48 -1.01 -0.65 0.00 0.00 175.02 173.55 3k6s s HIS 934 N 1.89 3.40 -0.15 4.11 3.76 -0.84 -3.31 115.29 124.15 3k6s s HIS 934 Ca 0.01 -1.67 -0.19 0.00 -0.15 0.00 0.00 55.06 53.06 3k6s s HIS 934 Cb -0.17 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 3k6s s HIS 934 CO -0.11 -1.00 0.50 0.50 -0.85 0.00 0.00 174.74 173.79 3k6s s ARG 935 N 1.22 4.29 -0.13 1.40 3.52 -1.26 -2.37 118.95 125.62 3k6s s ARG 935 Ca 0.07 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 3k6s s ARG 935 Cb -0.25 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.65 3k6s s ARG 935 CO -0.00 0.04 -0.19 0.71 -0.81 0.00 0.00 175.30 175.05 3k6s s TYR 936 N 1.01 2.70 -0.05 5.12 1.51 -1.02 -1.60 117.35 125.01 3k6s s TYR 936 Ca 0.26 -1.00 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 3k6s s TYR 936 Cb -0.15 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3k6s s TYR 936 CO 0.10 -0.42 -0.04 -0.65 -1.11 0.00 0.00 175.55 173.43 3k6s s GLN 937 N 0.56 2.78 0.05 -0.62 -0.21 -0.80 -2.50 119.66 118.92 3k6s s GLN 937 Ca -0.11 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.72 3k6s s GLN 937 Cb -0.16 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 3k6s s GLN 937 CO 0.04 0.66 -0.04 0.54 -2.12 0.00 0.00 175.29 174.36 3k6s s VAL 938 N -0.90 0.32 -0.12 1.09 0.11 -1.24 -0.62 120.40 119.04 3k6s s VAL 938 Ca 0.14 -1.46 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 3k6s s VAL 938 Cb -0.11 -1.04 0.12 0.00 -1.53 0.00 0.00 36.38 33.82 3k6s s VAL 938 CO 0.04 -0.74 0.97 0.54 -3.33 0.00 0.00 175.10 172.58 3k6s s ASN 939 N -2.31 -0.37 -0.15 3.54 2.20 -0.67 -3.43 114.94 113.75 3k6s s ASN 939 Ca -0.02 0.31 0.01 0.00 -0.94 0.00 0.00 52.86 52.23 3k6s s ASN 939 Cb -0.01 0.32 0.02 0.00 -2.00 0.00 0.00 41.25 39.59 3k6s s ASN 939 CO -0.05 -0.41 -0.18 0.54 -2.94 0.00 0.00 177.10 174.07 3k6s s ASN 940 N -1.44 2.88 -0.19 3.54 4.22 -1.26 -1.61 114.94 121.07 3k6s s ASN 940 Ca -0.00 -0.56 0.09 0.00 -2.14 0.00 0.00 52.86 50.26 3k6s s ASN 940 Cb -0.01 -1.32 0.59 0.00 1.28 0.00 0.00 41.25 41.80 3k6s s ASN 940 CO -0.01 -0.01 1.45 0.18 -2.04 0.00 0.00 177.10 176.67 3k6s n LEU 941 N 4.56 4.64 0.00 3.54 4.32 -0.64 -2.04 117.00 131.38 3k6s n LEU 941 Ca -0.19 -2.37 0.00 0.00 -0.02 0.00 0.00 56.01 53.43 3k6s n LEU 941 Cb 0.50 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 3k6s n LEU 941 CO 0.24 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.59 3k6s n GLY 942 N 0.33 -2.69 1.26 -0.72 0.00 -1.17 -4.69 105.19 97.51 3k6s n GLY 942 Ca 0.23 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 45.01 3k6s n GLY 942 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k6s n GLN 943 N 0.00 0.00 -3.73 1.61 6.02 -1.26 -4.86 117.38 115.16 3k6s n GLN 943 Ca 0.00 -1.72 -0.13 0.00 -0.01 0.00 0.00 57.00 55.14 3k6s n GLN 943 Cb 0.00 -0.08 -0.10 0.00 1.02 0.00 0.00 30.24 31.09 3k6s n GLN 943 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k6s s ARG 944 N 0.00 0.54 0.08 -1.09 0.52 -1.26 -5.06 118.95 112.68 3k6s s ARG 944 Ca 0.25 0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.49 3k6s s ARG 944 Cb 0.29 0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.95 3k6s s ARG 944 CO -0.12 -0.10 1.26 -0.51 0.02 0.00 0.00 175.30 175.84 3k6s s ASP 945 N -0.26 7.00 -0.16 0.23 1.01 -1.26 -4.36 116.67 118.87 3k6s s ASP 945 Ca -0.04 2.11 -0.08 0.00 0.71 0.00 0.00 52.55 55.25 3k6s s ASP 945 Cb -0.03 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.38 3k6s s ASP 945 CO 0.02 -0.53 0.38 -1.48 0.21 0.00 0.00 175.17 173.77 3k6s s LEU 946 N 1.09 -0.06 0.61 1.23 0.05 -1.25 -4.94 118.68 115.41 3k6s s LEU 946 Ca 0.61 0.84 -0.18 0.00 0.05 0.00 0.00 54.13 55.44 3k6s s LEU 946 Cb -0.32 1.25 -0.04 0.00 -2.05 0.00 0.00 46.19 45.03 3k6s s LEU 946 CO 0.29 -0.19 1.04 -2.65 -0.55 0.00 0.00 176.35 174.29 3k6s n PRO 947 N 4.34 0.95 -4.10 1.48 -0.02 -1.26 -2.27 135.00 134.13 3k6s n PRO 947 Ca -0.23 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 3k6s n PRO 947 Cb 0.54 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3k6s n PRO 947 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k6s s VAL 948 N -1.48 0.00 -0.22 -1.45 -7.23 -1.18 -4.73 120.40 104.11 3k6s s VAL 948 Ca 0.77 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3k6s s VAL 948 Cb -0.41 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.14 3k6s s VAL 948 CO 0.46 0.00 0.32 -0.55 -0.31 0.00 0.00 175.10 175.01 3k6s s SER 949 N -3.18 0.63 -0.40 4.85 0.15 -0.81 -0.72 113.70 114.22 3k6s s SER 949 Ca 0.31 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.88 3k6s s SER 949 Cb 0.01 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.17 3k6s s SER 949 CO 0.17 -0.30 0.59 -0.63 1.20 0.00 0.00 173.24 174.26 3k6s s ILE 950 N 2.46 4.91 0.45 6.45 1.01 -0.55 -1.68 121.20 134.25 3k6s s ILE 950 Ca 0.09 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 3k6s s ILE 950 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3k6s s ILE 950 CO -0.14 -0.44 0.74 0.20 0.00 0.00 0.00 174.94 175.30 3k6s s ASN 951 N 1.89 6.30 0.22 3.58 0.02 -0.04 -2.36 114.94 124.55 3k6s s ASN 951 Ca 0.21 0.87 0.00 0.00 -1.02 0.00 0.00 52.86 52.92 3k6s s ASN 951 Cb -0.15 -2.22 -0.04 0.00 0.02 0.00 0.00 41.25 38.86 3k6s s ASN 951 CO 0.16 -0.51 0.16 -0.36 0.02 0.00 0.00 177.10 176.57 3k6s s PHE 952 N -2.62 1.24 -0.32 2.20 0.08 -0.55 -2.10 117.98 115.91 3k6s s PHE 952 Ca 0.47 -1.42 0.03 0.00 0.12 0.00 0.00 56.93 56.13 3k6s s PHE 952 Cb -0.10 -0.57 0.16 0.00 -0.57 0.00 0.00 43.02 41.94 3k6s s PHE 952 CO 0.42 -0.68 0.44 -1.58 -0.10 0.00 0.00 175.22 173.72 3k6s s TRP 953 N -4.05 -1.03 -0.22 0.36 0.52 0.13 -3.08 118.94 111.58 3k6s s TRP 953 Ca 0.39 0.16 -0.02 0.00 0.02 0.00 0.00 56.10 56.65 3k6s s TRP 953 Cb 0.06 -0.12 0.01 0.00 -1.15 0.00 0.00 33.47 32.28 3k6s s TRP 953 CO 0.14 -1.01 -0.09 0.08 0.02 0.00 0.00 176.95 176.08 3k6s s VAL 954 N 2.28 2.83 0.50 4.03 1.01 -0.82 -2.32 120.40 127.91 3k6s s VAL 954 Ca 0.12 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 3k6s s VAL 954 Cb -0.12 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3k6s s VAL 954 CO -0.22 0.39 1.32 -2.84 0.00 0.00 0.00 175.10 173.74 3k6s s PRO 955 N 1.38 3.44 0.00 2.72 0.02 -1.26 -0.87 135.00 140.42 3k6s s PRO 955 Ca 0.04 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3k6s s PRO 955 Cb -0.15 -2.40 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3k6s s PRO 955 CO -0.07 -0.92 0.00 0.28 -0.33 0.00 0.00 177.00 175.97 3k6s n VAL 956 N -0.67 0.00 -1.56 3.83 0.31 -0.80 -4.36 118.33 115.08 3k6s n VAL 956 Ca 0.08 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.98 3k6s n VAL 956 Cb 0.45 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 3k6s n VAL 956 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k6s n GLU 957 N 0.00 1.11 -3.14 5.55 -0.58 -1.16 -0.33 120.64 122.09 3k6s n GLU 957 Ca 0.00 0.39 -0.15 0.00 -0.42 0.00 0.00 57.16 56.98 3k6s n GLU 957 Cb 0.00 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.06 3k6s n GLU 957 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3k6s s LEU 958 N 0.66 -0.09 -0.91 -4.62 2.96 -0.49 -0.96 118.68 115.22 3k6s s LEU 958 Ca 0.61 -2.19 -0.00 0.00 -0.22 0.00 0.00 54.13 52.33 3k6s s LEU 958 Cb -0.67 0.74 -0.00 0.00 0.50 0.00 0.00 46.19 46.76 3k6s s LEU 958 CO 0.59 -0.14 0.76 -3.20 -1.32 0.00 0.00 176.35 173.03 3k6s n ASN 959 N 3.21 -2.15 0.00 3.68 5.15 -1.26 -2.36 115.26 121.53 3k6s n ASN 959 Ca 0.21 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 3k6s n ASN 959 Cb 0.51 -4.02 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 3k6s n ASN 959 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 3k6s n GLN 960 N -3.36 0.00 -2.94 1.20 7.27 -1.26 -4.93 117.38 113.36 3k6s n GLN 960 Ca -0.21 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.42 3k6s n GLN 960 Cb 0.63 -1.67 -0.05 0.00 2.41 0.00 0.00 30.24 31.56 3k6s n GLN 960 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3k6s s GLU 961 N 0.00 3.21 0.40 3.69 2.56 -0.99 -5.01 118.70 122.55 3k6s s GLU 961 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 54.97 54.09 3k6s s GLU 961 Cb 0.00 -4.11 -0.10 0.00 2.00 0.00 0.00 34.13 31.91 3k6s s GLU 961 CO 0.00 -1.49 1.35 0.00 -0.56 0.00 0.00 175.26 174.55 3k6s n ALA 962 N 7.12 1.64 -0.06 6.30 0.00 -1.26 -1.40 120.51 132.86 3k6s n ALA 962 Ca -0.02 0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 3k6s n ALA 962 Cb 0.46 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 3k6s n ALA 962 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k6s h VAL 963 N 2.41 0.00 -2.98 0.00 2.07 -0.99 -3.38 116.25 113.39 3k6s h VAL 963 Ca -0.48 -0.86 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 3k6s h VAL 963 Cb 1.28 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.76 3k6s h VAL 963 CO 0.62 0.00 -0.45 -1.66 0.02 0.00 0.00 177.57 176.10 3k6s s TRP 964 N -1.95 -0.36 0.50 1.57 1.48 -1.26 -1.73 118.94 117.18 3k6s s TRP 964 Ca -0.10 0.85 0.05 0.00 -1.06 0.00 0.00 56.10 55.84 3k6s s TRP 964 Cb 0.01 0.09 0.04 0.00 -1.16 0.00 0.00 33.47 32.45 3k6s s TRP 964 CO 0.15 -0.24 0.69 -1.64 -4.06 0.00 0.00 176.95 171.86 3k6s s MET 965 N 1.13 2.59 -1.44 3.25 -1.94 -0.90 -4.58 119.30 117.41 3k6s s MET 965 Ca -0.08 -1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 52.65 3k6s s MET 965 Cb -0.09 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.14 3k6s s MET 965 CO -0.08 -0.57 0.24 -0.25 -0.01 0.00 0.00 175.02 174.35 3k6s n ASP 966 N -2.12 -0.73 -4.64 3.03 8.00 -1.26 -3.77 116.55 115.05 3k6s n ASP 966 Ca 0.09 -1.28 -0.40 0.00 0.71 0.00 0.00 54.79 53.92 3k6s n ASP 966 Cb 0.60 -1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 39.96 3k6s n ASP 966 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k6s s VAL 967 N -4.10 5.08 0.34 2.53 1.01 -1.26 -4.58 120.40 119.42 3k6s s VAL 967 Ca 0.16 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.13 3k6s s VAL 967 Cb -0.09 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3k6s s VAL 967 CO 0.99 0.13 0.11 -1.61 0.00 0.00 0.00 175.10 174.72 3k6s s GLU 968 N 1.94 1.71 -0.16 2.72 2.02 -1.04 -5.02 118.70 120.88 3k6s s GLU 968 Ca 0.23 -1.99 0.01 0.00 0.02 0.00 0.00 54.97 53.24 3k6s s GLU 968 Cb -0.15 -0.54 0.03 0.00 0.10 0.00 0.00 34.13 33.56 3k6s s GLU 968 CO 0.09 -0.36 -0.15 0.54 0.02 0.00 0.00 175.26 175.41 3k6s s VAL 969 N -3.39 1.67 0.36 2.63 0.11 -1.26 -2.06 120.40 118.45 3k6s s VAL 969 Ca 0.32 -0.75 -0.20 0.00 -2.93 0.00 0.00 61.98 58.42 3k6s s VAL 969 Cb 0.06 -1.58 -0.10 0.00 -1.53 0.00 0.00 36.38 33.22 3k6s s VAL 969 CO 0.15 0.43 0.86 -0.55 -3.33 0.00 0.00 175.10 172.66 3k6s s SER 970 N 1.44 6.96 -0.49 3.54 0.15 0.67 -4.97 113.70 121.00 3k6s s SER 970 Ca 0.04 1.55 0.08 0.00 0.70 0.00 0.00 55.95 58.32 3k6s s SER 970 Cb -0.13 -2.48 0.28 0.00 -1.71 0.00 0.00 66.02 61.98 3k6s s SER 970 CO -0.11 -0.22 0.69 1.57 1.20 0.00 0.00 173.24 176.37 3k6s n HIS 971 N -0.21 1.60 -0.93 3.44 -0.00 -1.26 -2.19 115.22 115.66 3k6s n HIS 971 Ca 0.04 -3.85 -0.29 0.00 -0.00 0.00 0.00 57.72 53.62 3k6s n HIS 971 Cb 0.53 -0.45 0.20 0.00 -0.00 0.00 0.00 29.99 30.27 3k6s n HIS 971 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3k6s s PRO 972 N -2.13 0.11 -0.87 1.57 0.02 -1.26 -3.53 135.00 128.91 3k6s s PRO 972 Ca 0.39 0.73 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3k6s s PRO 972 Cb 0.21 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 33.05 3k6s s PRO 972 CO -0.08 -3.00 0.00 1.04 -0.33 0.00 0.00 177.00 174.63 3k6s n GLN 973 N -4.40 -1.75 -3.56 5.54 1.13 -1.26 -4.85 117.38 108.23 3k6s n GLN 973 Ca 0.05 0.75 -0.16 0.00 -1.94 0.00 0.00 57.00 55.70 3k6s n GLN 973 Cb 0.56 -5.08 -0.06 0.00 0.11 0.00 0.00 30.24 25.77 3k6s n GLN 973 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3k6s s ASN 974 N -2.17 -0.52 0.99 1.08 0.01 -1.23 -5.04 114.94 108.06 3k6s s ASN 974 Ca 0.00 0.40 -0.15 0.00 -0.71 0.00 0.00 52.86 52.40 3k6s s ASN 974 Cb 0.00 0.50 0.01 0.00 0.41 0.00 0.00 41.25 42.17 3k6s s ASN 974 CO 0.00 -0.66 0.06 -0.81 -1.51 0.00 0.00 177.10 174.18 3k6s n PRO 975 N 0.68 -0.48 -2.21 -0.60 -0.04 -1.26 -4.81 135.00 126.27 3k6s n PRO 975 Ca -0.19 -0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 62.76 3k6s n PRO 975 Cb 0.59 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3k6s n PRO 975 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k6s s SER 976 N -1.78 5.73 0.49 3.54 1.04 -1.26 -4.95 113.70 116.51 3k6s s SER 976 Ca 0.53 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 3k6s s SER 976 Cb -0.18 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 3k6s s SER 976 CO 0.70 -2.01 0.74 -0.76 0.98 0.00 0.00 173.24 172.89 3k6s s LEU 977 N 7.42 3.52 -0.18 2.42 1.02 -1.26 -5.08 118.68 126.55 3k6s s LEU 977 Ca 0.60 0.44 -0.13 0.00 0.02 0.00 0.00 54.13 55.06 3k6s s LEU 977 Cb -0.13 -3.31 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 3k6s s LEU 977 CO 0.23 -0.80 0.28 -0.13 0.02 0.00 0.00 176.35 175.95 3k6s s ARG 978 N -4.69 4.23 0.06 1.70 0.52 -1.26 -5.08 118.95 114.42 3k6s s ARG 978 Ca 0.50 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.83 3k6s s ARG 978 Cb -0.10 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 3k6s s ARG 978 CO 0.40 0.20 -0.19 0.00 0.02 0.00 0.00 175.30 175.74 3k6s s SER 980 N -1.35 5.82 -0.06 0.00 0.15 -0.78 -4.90 113.70 112.59 3k6s s SER 980 Ca 0.05 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 3k6s s SER 980 Cb -0.09 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 63.00 3k6s s SER 980 CO 0.02 -0.35 0.13 -0.94 1.20 0.00 0.00 173.24 173.31 3k6s s SER 981 N -4.09 -0.11 -0.16 5.45 1.04 -1.26 -2.49 113.70 112.08 3k6s s SER 981 Ca 0.42 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 3k6s s SER 981 Cb -0.08 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.28 3k6s s SER 981 CO 0.29 -0.12 0.41 -1.61 0.98 0.00 0.00 173.24 173.19 3k6s s GLU 982 N 0.86 0.41 0.20 4.02 2.02 -0.91 -5.01 118.70 120.29 3k6s s GLU 982 Ca -0.07 0.71 -0.08 0.00 0.02 0.00 0.00 54.97 55.56 3k6s s GLU 982 Cb -0.09 0.05 -0.07 0.00 0.10 0.00 0.00 34.13 34.13 3k6s s GLU 982 CO -0.04 -0.13 0.48 0.15 0.02 0.00 0.00 175.26 175.75 3k6s s LYS 983 N 1.03 3.73 -0.00 1.61 1.02 -1.26 -1.29 119.74 124.58 3k6s s LYS 983 Ca -0.07 0.13 -0.13 0.00 0.02 0.00 0.00 55.97 55.93 3k6s s LYS 983 Cb -0.07 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3k6s s LYS 983 CO -0.09 0.37 0.27 0.96 -0.92 0.00 0.00 175.35 175.95 3k6s s ILE 984 N -1.76 0.07 -0.24 2.17 -4.36 -1.23 -4.98 121.20 110.86 3k6s s ILE 984 Ca 0.45 -0.56 -0.07 0.00 -0.26 0.00 0.00 60.65 60.21 3k6s s ILE 984 Cb -0.12 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 3k6s s ILE 984 CO 0.23 -0.31 0.05 0.00 0.24 0.00 0.00 174.94 175.15 3k6s s ALA 985 N -1.55 3.12 1.21 2.27 0.00 -1.26 -2.81 121.76 122.73 3k6s s ALA 985 Ca -0.12 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 3k6s s ALA 985 Cb -0.05 -2.02 0.18 0.00 0.00 0.00 0.00 23.12 21.23 3k6s s ALA 985 CO 0.02 -0.46 0.46 -2.30 0.00 0.00 0.00 175.76 173.49 3k6s n PRO 986 N 4.86 -3.05 0.29 0.00 -0.02 -1.26 -4.89 135.00 130.93 3k6s n PRO 986 Ca -0.16 -0.76 0.18 0.00 -2.02 0.00 0.00 63.50 60.73 3k6s n PRO 986 Cb 0.51 -0.90 0.84 0.00 -0.02 0.00 0.00 33.50 33.94 3k6s n PRO 986 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3k6s h PRO 987 N 0.00 0.00 -0.17 0.52 0.13 -1.93 -3.46 132.00 127.09 3k6s h PRO 987 Ca -0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 3k6s h PRO 987 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3k6s h PRO 987 CO 0.12 0.04 -0.04 0.00 -0.23 0.00 0.00 178.00 177.89 3k6s n ALA 988 N -2.13 -0.04 -0.57 -0.56 0.00 -1.26 -5.03 120.51 110.91 3k6s n ALA 988 Ca -0.01 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 3k6s n ALA 988 Cb 0.23 -0.66 0.26 0.00 0.00 0.00 0.00 19.45 19.29 3k6s n ALA 988 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k6s s SER 989 N -2.95 0.32 -0.67 0.00 0.01 -1.26 -4.80 113.70 104.34 3k6s s SER 989 Ca 0.00 1.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.19 3k6s s SER 989 Cb 0.00 -1.80 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 3k6s s SER 989 CO 0.00 -4.56 2.23 -0.62 0.41 0.00 0.00 173.24 170.70 3k6s s ASP 990 N -2.89 4.53 0.50 2.44 2.15 -1.26 -4.77 116.67 117.37 3k6s s ASP 990 Ca 0.68 0.34 0.30 0.00 0.43 0.00 0.00 52.55 54.30 3k6s s ASP 990 Cb -0.20 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 40.99 3k6s s ASP 990 CO 0.61 -3.08 1.88 2.19 -0.17 0.00 0.00 175.17 176.60 3k6s h PHE 991 N 15.27 0.00 0.07 -5.34 -5.15 -1.97 -2.67 116.94 117.14 3k6s h PHE 991 Ca -0.11 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.66 3k6s h PHE 991 Cb 1.12 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.26 3k6s h PHE 991 CO 1.08 0.00 -0.33 1.25 -2.00 0.00 0.00 178.31 178.31 3k6s h LEU 992 N 0.00 -1.01 -0.74 2.10 6.46 -1.96 -2.81 115.31 117.35 3k6s h LEU 992 Ca 0.00 0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 3k6s h LEU 992 Cb 0.62 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 3k6s h LEU 992 CO 0.00 -0.35 -0.46 0.00 -0.62 0.00 0.00 178.44 177.01 3k6s h ALA 993 N -0.92 0.92 0.47 1.25 0.00 -1.97 -3.25 119.26 115.76 3k6s h ALA 993 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3k6s h ALA 993 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3k6s h ALA 993 CO -0.18 0.58 -0.46 1.25 0.00 0.00 0.00 179.25 180.43 3k6s h HIS 994 N 0.00 -1.27 -0.00 0.00 6.17 -1.22 -2.51 115.15 116.32 3k6s h HIS 994 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3k6s h HIS 994 Cb 1.04 0.49 0.00 0.00 2.52 0.00 0.00 27.41 31.46 3k6s h HIS 994 CO 0.00 -0.63 -0.08 0.44 0.71 0.00 0.00 177.93 178.37 3k6s n ILE 995 N -5.54 0.00 -0.12 6.26 -5.35 -1.15 -2.87 119.36 110.59 3k6s n ILE 995 Ca -0.11 -0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3k6s n ILE 995 Cb 0.44 -0.18 0.02 0.00 -1.74 0.00 0.00 39.64 38.17 3k6s n ILE 995 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3k6s h GLN 996 N 0.46 0.91 -0.02 6.28 4.15 -1.49 -2.59 115.11 122.80 3k6s h GLN 996 Ca 0.00 -0.42 0.02 0.00 0.77 0.00 0.00 58.65 59.02 3k6s h GLN 996 Cb 0.33 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 3k6s h GLN 996 CO 0.00 1.08 -0.45 0.87 -1.93 0.00 0.00 178.83 178.39 3k6s h LYS 997 N 0.77 -0.53 -3.97 1.69 1.57 -1.35 -3.42 116.57 111.32 3k6s h LYS 997 Ca 0.09 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 58.42 3k6s h LYS 997 Cb 0.86 0.12 -0.38 0.00 0.08 0.00 0.00 32.23 32.92 3k6s h LYS 997 CO 0.08 -0.36 -0.79 1.21 -0.57 0.00 0.00 179.45 179.02 3k6s s ASN 998 N -4.41 1.94 0.16 0.86 3.84 -1.07 -5.01 114.94 111.24 3k6s s ASN 998 Ca -0.13 -0.22 0.07 0.00 0.21 0.00 0.00 52.86 52.78 3k6s s ASN 998 Cb 0.06 -0.65 0.36 0.00 -0.55 0.00 0.00 41.25 40.46 3k6s s ASN 998 CO 0.51 -0.16 1.06 -2.65 -2.79 0.00 0.00 177.10 173.07 3k6s n PRO 999 N 5.04 0.05 -1.60 0.43 -0.02 -1.00 -4.30 135.00 133.59 3k6s n PRO 999 Ca -0.10 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 3k6s n PRO 999 Cb 0.50 -1.88 0.04 0.00 -0.02 0.00 0.00 33.50 32.14 3k6s n PRO 999 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k6s n VAL 1000N -1.68 3.20 -3.65 -1.45 0.24 -1.26 -2.99 118.33 110.73 3k6s n VAL 1000Ca -0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.52 3k6s n VAL 1000Cb 0.24 -1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 31.40 3k6s n VAL 1000CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3k6s n LEU 1001N -0.29 2.22 -4.74 1.34 0.00 -0.07 -4.78 117.00 110.67 3k6s n LEU 1001Ca 0.12 -5.04 -0.30 0.00 0.00 0.00 0.00 56.01 50.79 3k6s n LEU 1001Cb 0.45 -0.36 0.20 0.00 0.00 0.00 0.00 43.42 43.71 3k6s n LEU 1001CO 0.52 1.86 0.72 1.51 0.00 0.00 0.00 177.39 182.00 3k6s s ASP 1002N -1.32 2.18 0.07 1.96 1.47 -1.26 -2.84 116.67 116.92 3k6s s ASP 1002Ca 0.30 0.59 0.20 0.00 1.18 0.00 0.00 52.55 54.82 3k6s s ASP 1002Cb 0.03 -0.84 0.83 0.00 -0.34 0.00 0.00 42.92 42.59 3k6s s ASP 1002CO -0.14 -3.34 1.63 0.00 0.68 0.00 0.00 175.17 173.99 3k6s h SER 1004N 0.00 0.00 0.00 0.00 4.64 -2.00 -3.29 113.55 112.90 3k6s h SER 1004Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3k6s h SER 1004Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3k6s h SER 1004CO 0.00 0.00 -1.94 -0.38 -0.87 0.00 0.00 176.83 173.64 3k6s n ILE 1005N -2.52 1.44 -3.95 0.95 2.08 -1.15 -4.11 119.36 112.10 3k6s n ILE 1005Ca 0.02 -0.19 -0.36 0.00 0.56 0.00 0.00 62.75 62.78 3k6s n ILE 1005Cb 0.26 -2.00 -0.07 0.00 -0.75 0.00 0.00 39.64 37.07 3k6s n ILE 1005CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k6s s ALA 1006N -2.60 3.68 -0.52 -1.39 0.00 -1.24 -4.81 121.76 114.89 3k6s s ALA 1006Ca -0.33 -0.69 -0.37 0.00 0.00 0.00 0.00 51.96 50.57 3k6s s ALA 1006Cb 0.11 -1.92 -0.15 0.00 0.00 0.00 0.00 23.12 21.15 3k6s s ALA 1006CO 0.44 0.47 2.28 0.41 0.00 0.00 0.00 175.76 179.36 3k6s n GLY 1007N 2.51 0.08 0.00 0.00 0.00 -0.14 -4.65 105.19 102.99 3k6s n GLY 1007Ca -0.19 1.01 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3k6s n GLY 1007CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6s s LEU 1009N 0.00 -0.54 -0.05 0.00 0.20 -0.05 -3.51 118.68 114.73 3k6s s LEU 1009Ca 0.00 0.19 -0.25 0.00 0.69 0.00 0.00 54.13 54.76 3k6s s LEU 1009Cb 0.00 0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 46.72 3k6s s LEU 1009CO 0.00 -0.30 0.76 -0.60 -0.29 0.00 0.00 176.35 175.92 3k6s s ARG 1010N 2.51 4.47 -0.23 1.98 3.52 -0.41 -1.95 118.95 128.84 3k6s s ARG 1010Ca 0.11 1.00 -0.04 0.00 -0.13 0.00 0.00 55.73 56.67 3k6s s ARG 1010Cb -0.15 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3k6s s ARG 1010CO -0.15 0.04 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.29 3k6s s PHE 1011N 0.83 2.98 -0.78 5.12 0.40 -1.18 -2.15 117.98 123.20 3k6s s PHE 1011Ca 0.41 -0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 55.69 3k6s s PHE 1011Cb -0.18 -2.11 0.20 0.00 0.51 0.00 0.00 43.02 41.43 3k6s s PHE 1011CO 0.20 -0.56 0.67 0.50 0.70 0.00 0.00 175.22 176.74 3k6s s ARG 1012N 1.47 3.20 -0.72 0.44 3.52 -1.04 -1.48 118.95 124.35 3k6s s ARG 1012Ca 0.05 -2.67 -0.22 0.00 -0.13 0.00 0.00 55.73 52.76 3k6s s ARG 1012Cb -0.15 -4.10 0.08 0.00 -1.56 0.00 0.00 34.95 29.23 3k6s s ARG 1012CO -0.03 -1.24 1.00 0.00 -0.81 0.00 0.00 175.30 174.22 3k6s s ASP 1014N 3.71 3.59 -0.07 0.00 1.01 -1.19 -1.48 116.67 122.24 3k6s s ASP 1014Ca 0.24 1.75 -0.03 0.00 0.71 0.00 0.00 52.55 55.22 3k6s s ASP 1014Cb -0.14 -2.39 0.04 0.00 1.01 0.00 0.00 42.92 41.44 3k6s s ASP 1014CO 0.06 -2.60 0.14 -0.69 0.21 0.00 0.00 175.17 172.29 3k6s s VAL 1015N -2.84 -0.11 0.06 -1.27 1.01 0.10 -4.70 120.40 112.66 3k6s s VAL 1015Ca 0.63 0.23 -0.37 0.00 0.00 0.00 0.00 61.98 62.48 3k6s s VAL 1015Cb -0.19 -0.25 -0.20 0.00 0.00 0.00 0.00 36.38 35.74 3k6s s VAL 1015CO 0.57 0.10 1.55 1.55 0.00 0.00 0.00 175.10 178.87 3k6s h PRO 1016N 7.55 -1.22 -1.70 2.72 0.13 -1.97 -3.11 132.00 134.41 3k6s h PRO 1016Ca -0.35 0.08 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 3k6s h PRO 1016Cb 1.13 0.28 -0.28 0.00 0.13 0.00 0.00 31.00 32.26 3k6s h PRO 1016CO 0.35 -0.81 -0.50 0.45 -0.23 0.00 0.00 178.00 177.26 3k6s s SER 1017N -4.09 0.16 -1.21 1.44 0.15 -1.26 -4.17 113.70 104.72 3k6s s SER 1017Ca -0.19 -0.09 -0.18 0.00 0.70 0.00 0.00 55.95 56.18 3k6s s SER 1017Cb 0.02 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 3k6s s SER 1017CO 0.59 -0.33 1.99 0.33 1.20 0.00 0.00 173.24 177.03 3k6s n PHE 1018N 5.36 3.29 -1.48 3.44 7.35 -0.96 -4.84 117.46 129.62 3k6s n PHE 1018Ca -0.01 -2.43 -0.45 0.00 -0.76 0.00 0.00 57.45 53.80 3k6s n PHE 1018Cb 0.50 -2.38 -0.02 0.00 0.35 0.00 0.00 39.48 37.93 3k6s n PHE 1018CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3k6s n SER 1019N 8.23 -0.20 -4.71 -2.13 2.88 -1.26 -3.88 113.62 112.54 3k6s n SER 1019Ca 0.50 1.10 -0.38 0.00 -1.33 0.00 0.00 58.87 58.76 3k6s n SER 1019Cb 0.42 -1.11 0.05 0.00 -0.75 0.00 0.00 64.21 62.82 3k6s n SER 1019CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3k6s n VAL 1020N -0.08 4.09 0.00 2.46 0.31 -1.26 -2.09 118.33 121.76 3k6s n VAL 1020Ca 0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3k6s n VAL 1020Cb 0.31 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3k6s n VAL 1020CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k6s n GLN 1021N -1.22 0.00 -1.89 5.55 6.02 -0.86 -4.96 117.38 120.00 3k6s n GLN 1021Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 3k6s n GLN 1021Cb 0.46 -0.98 -0.03 0.00 1.02 0.00 0.00 30.24 30.71 3k6s n GLN 1021CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3k6s s GLU 1022N -0.06 4.11 -0.32 -1.09 2.12 -0.89 -4.86 118.70 117.71 3k6s s GLU 1022Ca 0.00 2.29 0.03 0.00 0.36 0.00 0.00 54.97 57.64 3k6s s GLU 1022Cb 0.00 -4.06 0.47 0.00 0.26 0.00 0.00 34.13 30.80 3k6s s GLU 1022CO 0.00 -0.95 1.67 -1.91 -0.54 0.00 0.00 175.26 173.52 3k6s n GLU 1023N 7.35 1.90 -1.03 4.30 2.13 -1.26 -4.00 120.64 130.02 3k6s n GLU 1023Ca 0.19 -2.14 -0.47 0.00 0.66 0.00 0.00 57.16 55.39 3k6s n GLU 1023Cb 0.42 -1.84 -0.10 0.00 0.27 0.00 0.00 31.44 30.20 3k6s n GLU 1023CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3k6s n LEU 1024N -0.65 0.57 -4.34 4.31 0.00 -1.22 -4.38 117.00 111.28 3k6s n LEU 1024Ca 0.43 0.51 -0.21 0.00 0.00 0.00 0.00 56.01 56.74 3k6s n LEU 1024Cb 1.31 -0.73 -0.11 0.00 0.00 0.00 0.00 43.42 43.89 3k6s n LEU 1024CO 0.44 -0.62 -0.47 1.51 0.00 0.00 0.00 177.39 178.25 3k6s s ASP 1025N 5.09 2.71 0.09 1.96 -4.77 -1.26 -3.62 116.67 116.86 3k6s s ASP 1025Ca 0.98 -0.91 -0.25 0.00 -3.30 0.00 0.00 52.55 49.07 3k6s s ASP 1025Cb -1.20 -0.16 0.08 0.00 -1.09 0.00 0.00 42.92 40.55 3k6s s ASP 1025CO 0.52 -0.06 0.70 0.72 0.70 0.00 0.00 175.17 177.75 3k6s s PHE 1026N -2.30 -0.48 0.25 2.11 -0.12 -1.04 -4.52 117.98 111.88 3k6s s PHE 1026Ca 0.18 0.34 0.06 0.00 -0.05 0.00 0.00 56.93 57.46 3k6s s PHE 1026Cb -0.04 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 3k6s s PHE 1026CO 0.07 -0.73 -0.05 -0.08 -0.05 0.00 0.00 175.22 174.37 3k6s s THR 1027N -3.37 1.48 -0.02 -4.49 -1.32 -0.93 -2.45 115.64 104.54 3k6s s THR 1027Ca 0.02 -2.11 0.02 0.00 -1.21 0.00 0.00 61.69 58.41 3k6s s THR 1027Cb -0.01 -2.36 -0.00 0.00 -1.51 0.00 0.00 72.50 68.62 3k6s s THR 1027CO -0.10 -0.35 -0.08 -1.48 -2.21 0.00 0.00 174.62 170.40 3k6s s LEU 1028N -3.38 1.87 0.06 9.08 0.05 -1.00 -0.24 118.68 125.12 3k6s s LEU 1028Ca 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 54.13 54.31 3k6s s LEU 1028Cb 0.04 -0.45 -0.04 0.00 -2.05 0.00 0.00 46.19 43.69 3k6s s LEU 1028CO 0.10 0.07 -0.04 -1.59 -0.55 0.00 0.00 176.35 174.34 3k6s s LYS 1029N 0.05 0.66 -0.29 1.48 -2.85 -0.88 -1.98 119.74 115.94 3k6s s LYS 1029Ca -0.00 -1.23 -0.23 0.00 -1.00 0.00 0.00 55.97 53.50 3k6s s LYS 1029Cb -0.06 0.08 0.16 0.00 -2.06 0.00 0.00 37.83 35.95 3k6s s LYS 1029CO -0.00 -0.08 1.20 0.20 0.10 0.00 0.00 175.35 176.76 3k6s s GLY 1030N -2.90 0.11 -0.08 0.59 0.00 -1.22 -2.48 107.32 101.33 3k6s s GLY 1030Ca 0.08 3.12 -0.36 0.00 0.00 0.00 0.00 44.72 47.55 3k6s s GLY 1030CO -0.08 2.02 1.70 0.70 0.00 0.00 0.00 173.10 177.44 3k6s n ASN 1031N 2.19 2.77 -4.51 1.64 3.02 -1.25 -3.19 115.26 115.94 3k6s n ASN 1031Ca -0.13 1.05 -0.41 0.00 -0.03 0.00 0.00 54.58 55.06 3k6s n ASN 1031Cb 0.56 -1.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.36 3k6s n ASN 1031CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3k6s s LEU 1032N 2.82 4.71 0.41 3.41 0.20 -1.17 -2.13 118.68 126.93 3k6s s LEU 1032Ca 0.91 -0.56 -0.24 0.00 0.69 0.00 0.00 54.13 54.93 3k6s s LEU 1032Cb -0.85 -2.19 -0.08 0.00 -0.43 0.00 0.00 46.19 42.64 3k6s s LEU 1032CO 0.53 -0.34 1.11 -0.55 -0.29 0.00 0.00 176.35 176.82 3k6s s SER 1033N 1.72 6.54 0.00 3.68 0.15 -0.71 -4.30 113.70 120.78 3k6s s SER 1033Ca 0.07 2.20 0.22 0.00 0.70 0.00 0.00 55.95 59.14 3k6s s SER 1033Cb -0.18 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.49 3k6s s SER 1033CO 0.11 -0.65 1.05 0.49 1.20 0.00 0.00 173.24 175.43 3k6s n PHE 1034N -0.13 0.00 0.12 3.44 3.72 -1.23 -4.59 117.46 118.79 3k6s n PHE 1034Ca 0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.32 3k6s n PHE 1034Cb 0.48 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.94 3k6s n PHE 1034CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k6s h GLY 1035N 4.91 -0.25 2.00 1.37 0.00 -1.87 -2.85 103.07 106.37 3k6s h GLY 1035Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3k6s h GLY 1035CO 0.00 -0.09 0.00 -2.67 0.00 0.00 0.00 176.54 173.78 3k6s n TRP 1036N -5.17 0.60 0.19 5.60 4.27 -1.26 -2.88 117.44 118.78 3k6s n TRP 1036Ca -0.09 0.30 0.09 0.00 -3.89 0.00 0.00 57.50 53.91 3k6s n TRP 1036Cb 0.14 -0.98 0.62 0.00 -1.36 0.00 0.00 31.31 29.73 3k6s n TRP 1036CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3k6s h VAL 1037N 0.00 0.98 0.00 -1.67 2.07 -1.81 -1.54 116.25 114.28 3k6s h VAL 1037Ca 0.00 -0.03 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 3k6s h VAL 1037Cb 0.05 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3k6s h VAL 1037CO 0.00 0.01 -0.90 -0.09 0.02 0.00 0.00 177.57 176.61 3k6s h ARG 1038N 0.07 0.00 -0.69 1.57 2.43 -1.75 -3.35 114.38 112.67 3k6s h ARG 1038Ca 0.05 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.42 3k6s h ARG 1038Cb 0.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3k6s h ARG 1038CO -0.01 0.66 0.65 0.37 -1.51 0.00 0.00 179.97 180.13 3k6s h GLN 1039N 0.00 0.00 0.00 0.20 5.75 -1.47 -1.87 115.11 117.73 3k6s h GLN 1039Ca -0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3k6s h GLN 1039Cb 1.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.16 3k6s h GLN 1039CO 0.09 0.00 -0.71 0.44 -2.65 0.00 0.00 178.83 175.99 3k6s n ILE 1040N -3.79 0.00 -2.97 2.39 -6.64 -1.26 -5.03 119.36 102.07 3k6s n ILE 1040Ca 0.14 -0.23 -0.12 0.00 -1.77 0.00 0.00 62.75 60.77 3k6s n ILE 1040Cb 0.90 0.88 0.05 0.00 -1.44 0.00 0.00 39.64 40.03 3k6s n ILE 1040CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 3k6s n LEU 1041N -1.38 -3.08 0.00 7.28 7.94 -0.70 -5.03 117.00 122.02 3k6s n LEU 1041Ca 0.02 -0.35 -0.14 0.00 -1.11 0.00 0.00 56.01 54.42 3k6s n LEU 1041Cb 0.20 -2.05 -0.03 0.00 0.53 0.00 0.00 43.42 42.07 3k6s n LEU 1041CO 0.24 0.29 0.16 0.00 -1.11 0.00 0.00 177.39 176.97 3k6s n GLN 1042N -3.00 0.67 -4.27 1.96 6.02 -1.26 -5.15 117.38 112.34 3k6s n GLN 1042Ca -0.11 -2.63 -0.15 0.00 -0.01 0.00 0.00 57.00 54.10 3k6s n GLN 1042Cb 0.58 2.54 -0.10 0.00 1.02 0.00 0.00 30.24 34.28 3k6s n GLN 1042CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3k6s s LYS 1043N -2.75 1.18 -1.10 -1.09 -0.14 -1.26 -4.82 119.74 109.77 3k6s s LYS 1043Ca 0.27 -1.57 0.00 0.00 -1.36 0.00 0.00 55.97 53.31 3k6s s LYS 1043Cb -0.01 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 3k6s s LYS 1043CO 0.20 -0.08 0.00 1.17 -0.76 0.00 0.00 175.35 175.88 3k6s n LYS 1044N -0.30 -1.00 -1.21 1.68 4.81 -1.26 -5.00 118.16 115.88 3k6s n LYS 1044Ca -0.07 0.64 -0.31 0.00 -0.87 0.00 0.00 58.31 57.70 3k6s n LYS 1044Cb 0.63 -4.83 0.11 0.00 0.02 0.00 0.00 35.03 30.96 3k6s n LYS 1044CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3k6s s VAL 1045N -2.62 3.07 -0.09 3.15 0.11 -1.26 -4.78 120.40 117.99 3k6s s VAL 1045Ca 0.00 0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 59.36 3k6s s VAL 1045Cb 0.00 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.08 3k6s s VAL 1045CO 0.00 -0.46 0.19 -0.94 -3.33 0.00 0.00 175.10 170.57 3k6s s SER 1046N -3.36 -0.11 -0.10 3.54 1.04 -1.16 -0.86 113.70 112.68 3k6s s SER 1046Ca 0.62 0.41 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 3k6s s SER 1046Cb -0.18 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 3k6s s SER 1046CO 0.56 -0.17 0.22 0.54 0.98 0.00 0.00 173.24 175.38 3k6s s VAL 1047N 1.32 5.36 0.03 5.02 0.11 -0.08 -0.89 120.40 131.27 3k6s s VAL 1047Ca -0.08 0.41 0.07 0.00 -2.93 0.00 0.00 61.98 59.44 3k6s s VAL 1047Cb -0.11 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 3k6s s VAL 1047CO -0.07 0.56 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.39 3k6s s VAL 1048N -0.70 2.83 -0.08 2.04 1.01 -1.13 -1.24 120.40 123.12 3k6s s VAL 1048Ca 0.17 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3k6s s VAL 1048Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3k6s s VAL 1048CO 0.06 0.38 -0.19 -0.94 0.00 0.00 0.00 175.10 174.41 3k6s s SER 1049N -1.32 3.56 -0.11 3.32 1.04 -0.82 -4.54 113.70 114.84 3k6s s SER 1049Ca 0.14 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 3k6s s SER 1049Cb -0.11 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 3k6s s SER 1049CO 0.05 0.23 0.04 -0.69 0.98 0.00 0.00 173.24 173.84 3k6s s VAL 1050N -0.08 4.60 -0.13 5.02 1.01 -0.98 -2.18 120.40 127.66 3k6s s VAL 1050Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3k6s s VAL 1050Cb -0.14 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3k6s s VAL 1050CO 0.04 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 175.67 3k6s s ALA 1051N -0.72 1.33 -0.09 5.51 0.00 -0.99 -0.70 121.76 126.10 3k6s s ALA 1051Ca 0.12 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3k6s s ALA 1051Cb -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3k6s s ALA 1051CO 0.02 -0.55 -0.15 -2.00 0.00 0.00 0.00 175.76 173.09 3k6s s GLU 1052N 1.70 2.07 0.18 0.00 2.12 -0.89 -1.06 118.70 122.82 3k6s s GLU 1052Ca 0.04 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.67 3k6s s GLU 1052Cb -0.13 -1.71 -0.08 0.00 0.26 0.00 0.00 34.13 32.47 3k6s s GLU 1052CO -0.08 0.00 0.63 -1.50 -0.54 0.00 0.00 175.26 173.77 3k6s s ILE 1053N 0.79 4.72 0.20 -3.70 2.07 -0.82 -0.86 121.20 123.60 3k6s s ILE 1053Ca -0.11 1.05 0.02 0.00 -1.41 0.00 0.00 60.65 60.19 3k6s s ILE 1053Cb -0.16 -3.80 -0.05 0.00 0.13 0.00 0.00 42.46 38.59 3k6s s ILE 1053CO 0.02 0.24 0.04 0.42 -1.91 0.00 0.00 174.94 173.74 3k6s s THR 1054N -1.48 0.64 0.09 4.00 -4.23 -0.68 -4.90 115.64 109.08 3k6s s THR 1054Ca 0.40 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.66 3k6s s THR 1054Cb -0.16 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.45 3k6s s THR 1054CO 0.20 -0.30 0.86 0.72 -0.54 0.00 0.00 174.62 175.56 3k6s s PHE 1055N -3.69 -0.28 -0.36 3.99 -0.12 -1.26 -1.92 117.98 114.34 3k6s s PHE 1055Ca 0.29 0.06 -0.29 0.00 -0.05 0.00 0.00 56.93 56.93 3k6s s PHE 1055Cb 0.07 0.59 -0.08 0.00 -0.63 0.00 0.00 43.02 42.97 3k6s s PHE 1055CO 0.07 -0.73 2.29 -3.47 -0.05 0.00 0.00 175.22 173.33 3k6s n ASP 1056N -0.36 2.60 -0.37 1.98 2.03 -1.26 -4.78 116.55 116.39 3k6s n ASP 1056Ca -0.09 0.07 0.31 0.00 0.52 0.00 0.00 54.79 55.61 3k6s n ASP 1056Cb 0.62 -1.46 0.63 0.00 -0.72 0.00 0.00 41.12 40.19 3k6s n ASP 1056CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k6s h THR 1057N 7.32 0.37 -3.67 5.18 1.03 -2.00 -3.24 112.91 117.91 3k6s h THR 1057Ca -0.32 -0.06 -0.50 0.00 -0.01 0.00 0.00 66.41 65.52 3k6s h THR 1057Cb 1.27 0.17 -0.03 0.00 -1.07 0.00 0.00 68.15 68.50 3k6s h THR 1057CO 1.04 0.03 0.06 -0.55 -0.01 0.00 0.00 175.52 176.10 3k6s s SER 1058N -4.99 6.77 0.00 0.00 0.15 -1.26 -4.23 113.70 110.15 3k6s s SER 1058Ca -0.07 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.81 3k6s s SER 1058Cb 0.26 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 3k6s s SER 1058CO 0.81 -0.16 0.00 0.52 1.20 0.00 0.00 173.24 175.61 3k6s n VAL 1059N -0.23 0.00 -4.36 4.45 0.31 -1.26 -4.88 118.33 112.36 3k6s n VAL 1059Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.07 3k6s n VAL 1059Cb 0.53 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.34 3k6s n VAL 1059CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3k6s s TYR 1060N -0.00 2.43 0.37 3.52 2.02 -1.22 -0.95 117.35 123.52 3k6s s TYR 1060Ca 0.00 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3k6s s TYR 1060Cb 0.00 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 3k6s s TYR 1060CO 0.00 0.43 0.59 -1.13 -1.57 0.00 0.00 175.55 173.87 3k6s n SER 1061N 0.55 -1.67 -4.77 2.29 3.41 -0.90 -4.37 113.62 108.16 3k6s n SER 1061Ca -0.15 -2.83 -0.31 0.00 -0.26 0.00 0.00 58.87 55.32 3k6s n SER 1061Cb 0.54 2.98 -0.07 0.00 -0.26 0.00 0.00 64.21 67.40 3k6s n SER 1061CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3k6s s GLN 1062N -2.59 2.95 -0.13 4.33 0.74 -1.26 -1.40 119.66 122.30 3k6s s GLN 1062Ca 0.25 -0.61 -0.19 0.00 0.05 0.00 0.00 55.36 54.87 3k6s s GLN 1062Cb -0.02 -2.77 -0.25 0.00 1.10 0.00 0.00 33.01 31.06 3k6s s GLN 1062CO 0.18 0.60 0.51 1.37 -0.55 0.00 0.00 175.29 177.41 3k6s h LEU 1063N 3.62 0.25 0.00 3.68 8.10 -1.94 -3.39 115.31 125.63 3k6s h LEU 1063Ca -0.48 -0.80 0.00 0.00 0.11 0.00 0.00 57.88 56.71 3k6s h LEU 1063Cb 1.17 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 3k6s h LEU 1063CO 0.64 1.51 0.00 -0.81 -4.11 0.00 0.00 178.44 175.68 3k6s n PRO 1064N -4.11 0.22 0.00 0.17 -0.04 -1.26 -4.76 135.00 125.22 3k6s n PRO 1064Ca -0.24 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3k6s n PRO 1064Cb 0.80 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 3k6s n PRO 1064CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k6s n GLY 1065N -0.04 2.03 3.10 0.55 0.00 -1.26 -5.00 105.19 104.58 3k6s n GLY 1065Ca 0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 3k6s n GLY 1065CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k6s s GLN 1066N 0.00 0.43 -0.13 1.61 -0.21 -1.26 -4.94 119.66 115.16 3k6s s GLN 1066Ca 0.00 0.84 0.01 0.00 0.02 0.00 0.00 55.36 56.23 3k6s s GLN 1066Cb 0.00 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.09 3k6s s GLN 1066CO 0.00 -0.54 -0.18 -1.21 -2.12 0.00 0.00 175.29 171.25 3k6s s GLU 1067N 2.68 3.19 -0.15 2.91 2.02 -1.26 -4.99 118.70 123.09 3k6s s GLU 1067Ca 0.11 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.42 3k6s s GLU 1067Cb -0.14 -2.52 0.56 0.00 0.10 0.00 0.00 34.13 32.12 3k6s s GLU 1067CO -0.17 0.10 1.35 0.00 0.02 0.00 0.00 175.26 176.56 3k6s n ALA 1068N 3.81 3.40 0.38 5.21 0.00 -1.26 -4.15 120.51 127.89 3k6s n ALA 1068Ca -0.19 -1.28 0.04 0.00 0.00 0.00 0.00 53.44 52.00 3k6s n ALA 1068Cb 0.52 -1.08 0.19 0.00 0.00 0.00 0.00 19.45 19.08 3k6s n ALA 1068CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k6s n PHE 1069N 0.46 0.00 -1.28 0.00 3.01 -1.26 -1.84 117.46 116.55 3k6s n PHE 1069Ca 0.19 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.39 3k6s n PHE 1069Cb 0.87 -0.19 0.16 0.00 -0.01 0.00 0.00 39.48 40.31 3k6s n PHE 1069CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k6s n MET 1070N -1.19 2.35 -3.04 -1.08 0.00 -1.26 0.67 117.12 113.57 3k6s n MET 1070Ca 0.04 -3.10 -0.02 0.00 0.00 0.00 0.00 57.70 54.62 3k6s n MET 1070Cb 0.05 -2.19 -0.01 0.00 0.00 0.00 0.00 33.22 31.08 3k6s n MET 1070CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3k6s s ARG 1071N -3.43 0.92 0.76 3.17 3.52 -0.76 -1.95 118.95 121.19 3k6s s ARG 1071Ca 0.58 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 3k6s s ARG 1071Cb 0.48 -0.01 0.14 0.00 -1.56 0.00 0.00 34.95 34.00 3k6s s ARG 1071CO 0.07 -1.25 1.06 0.00 -0.81 0.00 0.00 175.30 174.37 3k6s s ALA 1072N 1.42 3.38 -0.08 6.12 0.00 -0.22 -4.92 121.76 127.45 3k6s s ALA 1072Ca 0.22 -1.57 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 3k6s s ALA 1072Cb -0.03 -2.19 0.05 0.00 0.00 0.00 0.00 23.12 20.95 3k6s s ALA 1072CO -0.06 -1.63 0.52 -1.14 0.00 0.00 0.00 175.76 173.45 3k6s s GLN 1073N -5.29 0.82 -0.12 0.00 0.74 -1.26 -2.36 119.66 112.19 3k6s s GLN 1073Ca 0.67 0.25 -0.03 0.00 0.05 0.00 0.00 55.36 56.30 3k6s s GLN 1073Cb -0.05 0.38 0.05 0.00 1.10 0.00 0.00 33.01 34.49 3k6s s GLN 1073CO 0.46 -0.21 0.06 0.99 -0.55 0.00 0.00 175.29 176.04 3k6s s THR 1074N -0.83 0.02 -0.38 -0.34 2.01 -0.92 -4.76 115.64 110.44 3k6s s THR 1074Ca -0.09 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 3k6s s THR 1074Cb -0.03 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 72.05 3k6s s THR 1074CO 0.06 -0.06 0.21 0.28 -0.69 0.00 0.00 174.62 174.41 3k6s s THR 1075N 2.10 4.36 0.29 -0.82 -1.32 -1.26 -1.94 115.64 117.05 3k6s s THR 1075Ca 0.03 -1.05 -0.03 0.00 -1.21 0.00 0.00 61.69 59.43 3k6s s THR 1075Cb -0.14 -3.51 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 3k6s s THR 1075CO -0.06 -0.31 0.52 -0.89 -2.21 0.00 0.00 174.62 171.67 3k6s s THR 1076N 1.50 5.08 -0.04 5.08 2.01 -0.37 -4.87 115.64 124.02 3k6s s THR 1076Ca 0.02 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.93 3k6s s THR 1076Cb -0.20 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3k6s s THR 1076CO 0.05 -0.35 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.68 3k6s s VAL 1077N -2.10 2.05 -0.61 3.82 1.01 -1.26 -0.90 120.40 122.41 3k6s s VAL 1077Ca 0.42 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3k6s s VAL 1077Cb -0.10 -1.72 0.37 0.00 0.00 0.00 0.00 36.38 34.93 3k6s s VAL 1077CO 0.31 0.57 1.25 0.18 0.00 0.00 0.00 175.10 177.41 3k6s n LEU 1078N 2.77 5.28 -4.60 3.92 4.32 -0.04 -2.88 117.00 125.77 3k6s n LEU 1078Ca -0.17 -5.36 -0.43 0.00 -0.02 0.00 0.00 56.01 50.03 3k6s n LEU 1078Cb 0.52 -0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 41.64 3k6s n LEU 1078CO 0.25 2.20 1.04 -0.70 -1.22 0.00 0.00 177.39 178.95 3k6s s GLU 1079N -3.67 3.71 -0.18 3.23 2.12 -1.26 -4.24 118.70 118.42 3k6s s GLU 1079Ca 0.48 0.56 -0.04 0.00 0.36 0.00 0.00 54.97 56.33 3k6s s GLU 1079Cb 0.34 -3.92 0.07 0.00 0.26 0.00 0.00 34.13 30.89 3k6s s GLU 1079CO -0.19 -1.40 0.15 0.15 -0.54 0.00 0.00 175.26 173.43 3k6s s LYS 1080N 4.49 0.11 0.29 4.30 1.02 -1.26 -0.65 119.74 128.05 3k6s s LYS 1080Ca 0.48 0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.61 3k6s s LYS 1080Cb -0.07 -1.41 0.04 0.00 -0.52 0.00 0.00 37.83 35.87 3k6s s LYS 1080CO 0.32 -0.63 0.33 0.98 -0.92 0.00 0.00 175.35 175.43 3k6s n TYR 1081N 5.30 -1.98 -0.64 3.18 9.36 -1.20 -4.80 117.16 126.38 3k6s n TYR 1081Ca -0.06 -1.13 0.00 0.00 3.32 0.00 0.00 57.90 60.03 3k6s n TYR 1081Cb 0.49 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 3k6s n TYR 1081CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71