#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s63 s VAL 56 N 0.00 3.32 0.62 -4.37 -7.23 -1.26 -5.11 120.40 106.37 1s63 s VAL 56 Ca 0.00 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1s63 s VAL 56 Cb 0.00 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1s63 s VAL 56 CO 0.00 0.50 1.01 -0.55 -0.31 0.00 0.00 175.10 175.75 1s63 s SER 57 N 0.56 6.11 0.58 4.85 0.15 -1.26 -4.96 113.70 119.72 1s63 s SER 57 Ca -0.06 1.31 0.27 0.00 0.70 0.00 0.00 55.95 58.17 1s63 s SER 57 Cb -0.15 -2.35 1.62 0.00 -1.71 0.00 0.00 66.02 63.42 1s63 s SER 57 CO 0.03 -0.91 2.12 -0.07 1.20 0.00 0.00 173.24 175.62 1s63 h LEU 58 N -0.31 0.00 -0.72 3.45 3.38 -1.98 -1.64 115.31 117.49 1s63 h LEU 58 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1s63 h LEU 58 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1s63 h LEU 58 CO 0.62 0.00 -0.59 0.47 0.09 0.00 0.00 178.44 179.03 1s63 n ASP 59 N -3.95 1.72 -4.74 -0.43 9.92 -1.26 -4.93 116.55 112.87 1s63 n ASP 59 Ca 0.01 -1.34 -0.41 0.00 -0.53 0.00 0.00 54.79 52.52 1s63 n ASP 59 Cb 0.28 0.58 0.01 0.00 -0.64 0.00 0.00 41.12 41.36 1s63 n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1s63 n SER 60 N -0.43 3.18 0.26 -2.24 7.64 -0.62 -4.89 113.62 116.52 1s63 n SER 60 Ca 0.08 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.19 1s63 n SER 60 Cb 0.43 -1.57 0.65 0.00 -1.01 0.00 0.00 64.21 62.71 1s63 n SER 60 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1s63 h PRO 61 N 2.38 0.00 -0.54 1.43 0.13 -1.94 -1.94 132.00 131.52 1s63 h PRO 61 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1s63 h PRO 61 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1s63 h PRO 61 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1s63 n SER 62 N -4.51 2.96 -4.76 1.44 3.41 -1.26 -4.95 113.62 105.94 1s63 n SER 62 Ca -0.03 -2.08 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 1s63 n SER 62 Cb 0.09 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 1s63 n SER 62 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1s63 s TYR 63 N -1.42 2.66 -0.03 7.33 5.04 -0.73 -5.00 117.35 125.20 1s63 s TYR 63 Ca 0.35 0.95 0.06 0.00 -2.44 0.00 0.00 57.07 56.00 1s63 s TYR 63 Cb 0.19 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 38.43 1s63 s TYR 63 CO 0.22 -3.35 -0.22 0.08 -1.34 0.00 0.00 175.55 170.95 1s63 s VAL 64 N -0.52 1.74 0.50 3.14 1.01 -1.26 -5.06 120.40 119.95 1s63 s VAL 64 Ca 0.58 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1s63 s VAL 64 Cb -0.47 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1s63 s VAL 64 CO 0.55 0.49 1.25 -0.76 0.00 0.00 0.00 175.10 176.63 1s63 s LEU 65 N -0.37 3.94 0.47 3.92 1.43 -1.26 -4.90 118.68 121.91 1s63 s LEU 65 Ca 0.04 2.50 0.17 0.00 -1.03 0.00 0.00 54.13 55.82 1s63 s LEU 65 Cb -0.10 -4.26 1.15 0.00 0.03 0.00 0.00 46.19 43.01 1s63 s LEU 65 CO 0.00 -1.21 2.01 1.88 0.23 0.00 0.00 176.35 179.27 1s63 h TYR 66 N 1.78 0.27 0.00 0.29 -1.99 -1.96 0.05 116.97 115.40 1s63 h TYR 66 Ca -0.50 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1s63 h TYR 66 Cb 1.27 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1s63 h TYR 66 CO 0.50 0.13 0.00 2.89 -0.00 0.00 0.00 178.16 181.68 1s63 n ARG 67 N -4.46 0.14 0.00 4.88 1.85 -1.26 -2.25 116.66 115.56 1s63 n ARG 67 Ca 0.08 0.40 0.08 0.00 -1.00 0.00 0.00 57.85 57.41 1s63 n ARG 67 Cb 0.38 -1.78 0.06 0.00 -1.05 0.00 0.00 32.46 30.07 1s63 n ARG 67 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1s63 n ASP 68 N -2.04 2.24 -4.65 2.89 8.00 -0.01 -4.96 116.55 118.02 1s63 n ASP 68 Ca 0.02 -1.62 -0.41 0.00 0.71 0.00 0.00 54.79 53.49 1s63 n ASP 68 Cb 0.19 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1s63 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s63 s ARG 69 N -1.45 4.20 0.34 -1.24 0.52 -0.96 -4.96 118.95 115.41 1s63 s ARG 69 Ca 0.18 0.72 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 1s63 s ARG 69 Cb 0.14 -3.60 0.66 0.00 0.52 0.00 0.00 34.95 32.67 1s63 s ARG 69 CO 0.24 -0.33 1.95 0.00 0.02 0.00 0.00 175.30 177.18 1s63 h ALA 70 N 7.57 1.63 0.00 2.13 0.00 -1.93 -0.75 119.26 127.91 1s63 h ALA 70 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s63 h ALA 70 Cb 1.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1s63 h ALA 70 CO 0.80 0.27 0.00 -0.85 0.00 0.00 0.00 179.25 179.47 1s63 n GLU 71 N -4.47 0.40 -0.00 0.00 0.00 -1.26 -1.99 120.64 113.31 1s63 n GLU 71 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 57.16 57.35 1s63 n GLU 71 Cb 0.19 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.14 1s63 n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1s63 n TRP 72 N -1.15 0.00 0.24 -1.84 7.02 -0.31 -4.75 117.44 116.65 1s63 n TRP 72 Ca 0.11 -0.01 0.13 0.00 -1.02 0.00 0.00 57.50 56.70 1s63 n TRP 72 Cb 0.10 -0.00 0.75 0.00 -2.42 0.00 0.00 31.31 29.74 1s63 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s63 h ALA 73 N 0.52 1.89 0.00 6.99 0.00 -1.12 -2.35 119.26 125.18 1s63 h ALA 73 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s63 h ALA 73 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s63 h ALA 73 CO 0.00 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 1s63 n ASP 74 N -4.22 0.00 -4.26 0.00 5.68 -1.26 -4.73 116.55 107.75 1s63 n ASP 74 Ca -0.01 0.18 -0.32 0.00 -0.50 0.00 0.00 54.79 54.15 1s63 n ASP 74 Cb 0.17 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.61 1s63 n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1s63 s ILE 75 N -2.76 2.08 -0.03 2.12 2.07 -0.89 -5.11 121.20 118.69 1s63 s ILE 75 Ca 0.18 -1.05 -0.23 0.00 -1.41 0.00 0.00 60.65 58.13 1s63 s ILE 75 Cb 0.16 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.94 1s63 s ILE 75 CO 0.39 0.57 0.70 -1.81 -1.91 0.00 0.00 174.94 172.88 1s63 s ASP 76 N -0.08 7.04 0.61 4.50 1.01 -1.26 -5.03 116.67 123.47 1s63 s ASP 76 Ca -0.06 1.25 -0.18 0.00 0.71 0.00 0.00 52.55 54.27 1s63 s ASP 76 Cb -0.14 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1s63 s ASP 76 CO 0.05 -0.05 1.18 -2.16 0.21 0.00 0.00 175.17 174.40 1s63 s PRO 77 N 0.41 2.91 -0.36 8.23 0.04 -1.26 -4.75 135.00 140.23 1s63 s PRO 77 Ca 0.37 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1s63 s PRO 77 Cb -0.18 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.50 1s63 s PRO 77 CO 0.19 -1.22 0.11 0.08 0.04 0.00 0.00 177.00 176.20 1s63 s VAL 78 N -1.79 3.15 0.70 -0.36 1.01 0.21 -4.95 120.40 118.36 1s63 s VAL 78 Ca 0.74 -1.74 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 1s63 s VAL 78 Cb -0.27 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1s63 s VAL 78 CO 0.35 -0.42 1.16 -2.16 0.00 0.00 0.00 175.10 174.03 1s63 s PRO 79 N 1.19 2.43 0.14 2.72 0.04 -1.26 -4.46 135.00 135.80 1s63 s PRO 79 Ca 0.02 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1s63 s PRO 79 Cb -0.21 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1s63 s PRO 79 CO -0.03 -1.57 1.22 -1.14 0.04 0.00 0.00 177.00 175.52 1s63 s GLN 80 N -3.98 4.45 -0.78 4.56 0.74 -1.26 -4.98 119.66 118.42 1s63 s GLN 80 Ca 0.71 1.87 -0.18 0.00 0.05 0.00 0.00 55.36 57.81 1s63 s GLN 80 Cb -0.25 -3.27 0.13 0.00 1.10 0.00 0.00 33.01 30.72 1s63 s GLN 80 CO 0.43 -0.18 0.92 1.21 -0.55 0.00 0.00 175.29 177.12 1s63 s ASN 81 N 0.53 6.47 0.00 6.67 2.47 -1.26 -4.84 114.94 124.98 1s63 s ASN 81 Ca 0.56 -1.87 0.25 0.00 0.42 0.00 0.00 52.86 52.22 1s63 s ASN 81 Cb -0.32 -2.34 0.57 0.00 -1.45 0.00 0.00 41.25 37.71 1s63 s ASN 81 CO 0.34 -1.03 1.45 0.47 -3.72 0.00 0.00 177.10 174.60 1s63 n ASP 82 N 6.13 1.10 0.00 -4.21 8.00 -1.26 -5.07 116.55 121.24 1s63 n ASP 82 Ca 0.09 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1s63 n ASP 82 Cb 0.46 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1s63 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s63 n GLY 83 N 1.38 0.67 0.27 0.44 0.00 -1.26 -4.38 105.19 102.31 1s63 n GLY 83 Ca 0.10 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1s63 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s63 h PRO 84 N 0.00 0.50 -2.85 1.61 0.13 -2.03 -3.34 132.00 126.03 1s63 h PRO 84 Ca 0.00 -0.10 -0.61 0.00 -0.87 0.00 0.00 66.00 64.42 1s63 h PRO 84 Cb 0.00 -0.08 -0.41 0.00 0.13 0.00 0.00 31.00 30.65 1s63 h PRO 84 CO 0.00 0.52 -0.69 0.09 -0.23 0.00 0.00 178.00 177.69 1s63 n ASN 85 N -4.29 1.99 -4.74 1.44 3.02 -1.26 -5.11 115.26 106.31 1s63 n ASN 85 Ca 0.01 -2.97 -0.37 0.00 -0.03 0.00 0.00 54.58 51.22 1s63 n ASN 85 Cb 0.23 -0.70 0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1s63 n ASN 85 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s63 s PRO 86 N -1.04 2.72 0.18 3.52 0.04 -1.26 -5.07 135.00 134.10 1s63 s PRO 86 Ca 0.28 2.07 0.09 0.00 0.04 0.00 0.00 61.00 63.47 1s63 s PRO 86 Cb -0.01 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1s63 s PRO 86 CO -0.18 -1.47 -0.18 0.14 0.04 0.00 0.00 177.00 175.36 1s63 s VAL 87 N -1.40 1.86 -1.77 -0.36 -7.23 -1.26 -4.73 120.40 105.52 1s63 s VAL 87 Ca 0.80 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 1s63 s VAL 87 Cb -0.37 -1.91 0.16 0.00 0.56 0.00 0.00 36.38 34.82 1s63 s VAL 87 CO 0.40 -0.35 0.44 1.33 -0.31 0.00 0.00 175.10 176.61 1s63 n VAL 88 N 0.14 -0.44 -2.61 1.32 0.24 -1.26 -4.84 118.33 110.89 1s63 n VAL 88 Ca -0.12 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 1s63 n VAL 88 Cb 0.58 -0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 32.14 1s63 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s63 s GLN 89 N -7.25 4.06 -0.12 7.34 0.74 -1.26 -5.00 119.66 118.17 1s63 s GLN 89 Ca 0.58 1.12 -0.24 0.00 0.05 0.00 0.00 55.36 56.86 1s63 s GLN 89 Cb -0.33 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.00 1s63 s GLN 89 CO 1.01 -0.91 0.77 0.42 -0.55 0.00 0.00 175.29 176.03 1s63 s ILE 90 N 3.70 4.96 -1.06 -2.34 1.01 -1.26 -4.98 121.20 121.24 1s63 s ILE 90 Ca 0.47 1.54 -0.20 0.00 0.00 0.00 0.00 60.65 62.46 1s63 s ILE 90 Cb -0.13 -4.09 0.08 0.00 0.01 0.00 0.00 42.46 38.33 1s63 s ILE 90 CO 0.16 0.13 1.41 -0.63 0.00 0.00 0.00 174.94 176.01 1s63 s ILE 91 N 1.55 4.24 0.57 2.92 -1.09 -1.26 -4.98 121.20 123.15 1s63 s ILE 91 Ca 0.38 -1.29 -0.19 0.00 -2.23 0.00 0.00 60.65 57.31 1s63 s ILE 91 Cb -0.17 -5.00 -0.05 0.00 -1.58 0.00 0.00 42.46 35.66 1s63 s ILE 91 CO 0.15 -1.82 1.17 -0.31 -1.23 0.00 0.00 174.94 172.90 1s63 s TYR 92 N 4.02 2.53 0.88 3.97 1.51 -1.26 -5.03 117.35 123.98 1s63 s TYR 92 Ca 0.44 1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 57.91 1s63 s TYR 92 Cb -0.01 -3.40 0.12 0.00 -0.11 0.00 0.00 41.96 38.57 1s63 s TYR 92 CO -0.06 -1.92 1.09 -1.54 -1.11 0.00 0.00 175.55 172.01 1s63 s SER 93 N -1.66 3.58 0.18 2.29 1.04 -1.26 -4.82 113.70 113.05 1s63 s SER 93 Ca 0.75 1.57 -0.10 0.00 0.48 0.00 0.00 55.95 58.64 1s63 s SER 93 Cb -0.27 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.68 1s63 s SER 93 CO 0.30 -2.58 1.70 -0.78 0.98 0.00 0.00 173.24 172.86 1s63 h ASP 94 N -1.51 0.95 -0.73 7.02 3.58 -2.00 -2.26 116.42 121.47 1s63 h ASP 94 Ca -0.48 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 56.69 1s63 h ASP 94 Cb 1.28 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1s63 h ASP 94 CO 0.53 0.93 0.29 0.11 -2.88 0.00 0.00 179.24 178.22 1s63 h LYS 95 N 0.92 1.10 0.35 0.28 1.57 -1.99 -0.95 116.57 117.85 1s63 h LYS 95 Ca 0.20 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1s63 h LYS 95 Cb 0.35 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1s63 h LYS 95 CO 0.00 0.90 -0.17 0.35 -0.57 0.00 0.00 179.45 179.97 1s63 h PHE 96 N 1.06 -0.44 -0.95 -1.35 3.57 -1.89 -2.27 116.94 114.67 1s63 h PHE 96 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1s63 h PHE 96 Cb 0.22 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1s63 h PHE 96 CO 0.02 -0.17 0.60 -0.09 -2.23 0.00 0.00 178.31 176.44 1s63 h ARG 97 N -0.65 1.27 -0.01 1.11 2.43 -1.34 -1.81 114.38 115.38 1s63 h ARG 97 Ca -0.05 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1s63 h ARG 97 Cb 0.47 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1s63 h ARG 97 CO 0.08 0.86 -0.04 0.22 -1.51 0.00 0.00 179.97 179.58 1s63 h ASP 98 N 1.30 -0.11 -0.30 -3.80 3.58 -1.09 0.14 116.42 116.14 1s63 h ASP 98 Ca 0.34 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1s63 h ASP 98 Cb -0.11 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1s63 h ASP 98 CO -0.07 -0.05 0.20 0.58 -2.88 0.00 0.00 179.24 177.01 1s63 h VAL 99 N -0.06 1.09 0.00 2.25 2.07 -1.13 -2.83 116.25 117.64 1s63 h VAL 99 Ca 0.02 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1s63 h VAL 99 Cb 0.09 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1s63 h VAL 99 CO -0.05 0.08 -0.33 1.88 0.02 0.00 0.00 177.57 179.18 1s63 h TYR 100 N 0.41 0.00 -0.42 1.57 -1.99 -1.09 0.45 116.97 115.90 1s63 h TYR 100 Ca 0.11 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1s63 h TYR 100 Cb -0.03 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 1s63 h TYR 100 CO -0.05 0.33 -0.15 -0.44 -0.00 0.00 0.00 178.16 177.85 1s63 h ASP 101 N 0.00 0.77 0.71 3.88 3.45 -0.53 0.13 116.42 124.83 1s63 h ASP 101 Ca -0.00 -0.25 -0.25 0.00 0.43 0.00 0.00 57.03 56.96 1s63 h ASP 101 Cb 0.68 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 1s63 h ASP 101 CO 0.04 0.93 -1.12 1.88 -1.57 0.00 0.00 179.24 179.40 1s63 h TYR 102 N 0.69 0.35 -0.49 4.55 -1.99 -1.23 0.70 116.97 119.56 1s63 h TYR 102 Ca 0.11 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 1s63 h TYR 102 Cb 0.64 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.33 1s63 h TYR 102 CO 0.03 1.17 0.15 0.35 -0.00 0.00 0.00 178.16 179.85 1s63 h PHE 103 N 0.07 0.80 -0.61 4.88 3.57 -0.71 -1.08 116.94 123.85 1s63 h PHE 103 Ca -0.09 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.35 1s63 h PHE 103 Cb 1.85 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 1s63 h PHE 103 CO 0.04 0.70 0.40 0.00 -2.23 0.00 0.00 178.31 177.23 1s63 h ARG 104 N 0.66 0.73 -0.13 1.11 3.08 -0.99 0.08 114.38 118.92 1s63 h ARG 104 Ca 0.16 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1s63 h ARG 104 Cb 0.29 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1s63 h ARG 104 CO -0.00 0.48 -0.05 0.00 -1.07 0.00 0.00 179.97 179.33 1s63 h ALA 105 N 1.64 0.18 -0.22 0.04 0.00 -1.02 -0.83 119.26 119.05 1s63 h ALA 105 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1s63 h ALA 105 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s63 h ALA 105 CO -0.06 -0.05 -0.34 -0.39 0.00 0.00 0.00 179.25 178.40 1s63 h VAL 106 N -0.07 1.29 -0.26 0.00 -1.51 -0.88 -1.94 116.25 112.87 1s63 h VAL 106 Ca 0.03 -1.44 -0.03 0.00 -1.23 0.00 0.00 66.70 64.03 1s63 h VAL 106 Cb 0.49 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1s63 h VAL 106 CO 0.02 0.45 0.04 0.25 -1.23 0.00 0.00 177.57 177.10 1s63 h LEU 107 N 0.40 0.41 -1.19 4.19 5.85 -0.94 0.19 115.31 124.21 1s63 h LEU 107 Ca 0.05 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1s63 h LEU 107 Cb 0.79 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1s63 h LEU 107 CO 0.06 0.57 0.29 -0.61 -0.34 0.00 0.00 178.44 178.41 1s63 h GLN 108 N 0.24 0.85 -0.01 1.25 4.15 -0.99 -1.51 115.11 119.10 1s63 h GLN 108 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1s63 h GLN 108 Cb 0.33 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1s63 h GLN 108 CO 0.00 0.66 -0.22 0.54 -1.93 0.00 0.00 178.83 177.89 1s63 n ARG 109 N -4.35 0.86 -3.87 1.69 1.74 -0.74 -4.94 116.66 107.04 1s63 n ARG 109 Ca 0.05 -0.48 -0.26 0.00 -0.77 0.00 0.00 57.85 56.39 1s63 n ARG 109 Cb 0.13 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1s63 n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s63 n ASP 110 N -0.65 -2.30 -4.60 0.55 2.03 0.53 -4.87 116.55 107.24 1s63 n ASP 110 Ca 0.13 -0.86 -0.43 0.00 0.52 0.00 0.00 54.79 54.15 1s63 n ASP 110 Cb 0.34 -3.67 -0.02 0.00 -0.72 0.00 0.00 41.12 37.04 1s63 n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1s63 s GLU 111 N -6.39 3.67 -1.22 -0.67 2.12 -0.50 -4.94 118.70 110.78 1s63 s GLU 111 Ca 0.27 0.68 -0.09 0.00 0.36 0.00 0.00 54.97 56.19 1s63 s GLU 111 Cb -0.14 -3.95 0.20 0.00 0.26 0.00 0.00 34.13 30.50 1s63 s GLU 111 CO 0.84 -1.45 1.65 0.54 -0.54 0.00 0.00 175.26 176.30 1s63 n ARG 112 N 7.93 3.71 -4.54 4.30 5.12 -1.26 -4.78 116.66 127.14 1s63 n ARG 112 Ca 0.13 -3.85 -0.25 0.00 -1.93 0.00 0.00 57.85 51.94 1s63 n ARG 112 Cb 0.49 -2.85 -0.11 0.00 -1.16 0.00 0.00 32.46 28.83 1s63 n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s63 s SER 113 N 0.89 3.51 0.28 0.55 1.04 -1.26 -4.87 113.70 113.83 1s63 s SER 113 Ca 0.38 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1s63 s SER 113 Cb 0.04 -0.31 0.39 0.00 0.10 0.00 0.00 66.02 66.24 1s63 s SER 113 CO 0.02 -0.33 1.75 -0.08 0.98 0.00 0.00 173.24 175.58 1s63 h GLU 114 N 2.00 0.64 -0.51 4.02 4.57 -1.99 -0.95 114.58 122.35 1s63 h GLU 114 Ca -0.42 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 57.46 1s63 h GLU 114 Cb 1.24 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1s63 h GLU 114 CO 0.73 0.73 -0.09 0.07 -1.18 0.00 0.00 179.01 179.27 1s63 h ARG 115 N 0.58 0.94 -0.52 1.92 0.11 -1.97 -0.99 114.38 114.45 1s63 h ARG 115 Ca 0.10 -0.33 -0.08 0.00 0.10 0.00 0.00 59.98 59.77 1s63 h ARG 115 Cb 0.53 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.52 1s63 h ARG 115 CO 0.03 0.98 -0.02 0.00 0.10 0.00 0.00 179.97 181.07 1s63 h ALA 116 N 1.04 0.99 -0.17 0.08 0.00 -1.78 -1.44 119.26 117.98 1s63 h ALA 116 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s63 h ALA 116 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1s63 h ALA 116 CO 0.04 0.61 0.10 0.35 0.00 0.00 0.00 179.25 180.36 1s63 h PHE 117 N 0.82 0.23 -0.39 0.00 3.57 -0.64 -1.75 116.94 118.77 1s63 h PHE 117 Ca 0.15 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1s63 h PHE 117 Cb 0.51 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1s63 h PHE 117 CO 0.03 0.20 -0.00 0.87 -2.23 0.00 0.00 178.31 177.18 1s63 h LYS 118 N 0.20 0.63 -0.88 1.11 1.57 -1.00 -2.74 116.57 115.46 1s63 h LYS 118 Ca 0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1s63 h LYS 118 Cb 0.04 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1s63 h LYS 118 CO -0.01 0.65 0.52 1.25 -0.57 0.00 0.00 179.45 181.29 1s63 h LEU 119 N 0.59 1.06 -1.87 2.94 5.85 -0.77 -2.11 115.31 121.00 1s63 h LEU 119 Ca 0.12 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1s63 h LEU 119 Cb 0.38 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1s63 h LEU 119 CO 0.01 0.82 0.17 0.71 -0.34 0.00 0.00 178.44 179.81 1s63 h THR 120 N 1.21 0.97 -0.64 1.05 1.35 -1.01 -0.37 112.91 115.47 1s63 h THR 120 Ca 0.31 -0.06 -0.04 0.00 -0.55 0.00 0.00 66.41 66.07 1s63 h THR 120 Cb -0.04 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 1s63 h THR 120 CO -0.06 0.03 0.23 -0.09 -0.25 0.00 0.00 175.52 175.38 1s63 h ARG 121 N 0.17 0.95 -0.14 4.72 2.43 -1.39 0.56 114.38 121.67 1s63 h ARG 121 Ca 0.11 -0.17 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1s63 h ARG 121 Cb 0.21 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1s63 h ARG 121 CO -0.02 0.79 -0.77 -0.44 -1.51 0.00 0.00 179.97 178.02 1s63 h ASP 122 N 0.92 0.85 -0.79 -3.80 3.32 -1.11 -2.27 116.42 113.54 1s63 h ASP 122 Ca 0.21 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1s63 h ASP 122 Cb 0.22 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1s63 h ASP 122 CO -0.01 1.34 0.45 0.00 -1.72 0.00 0.00 179.24 179.29 1s63 h ALA 123 N 0.64 1.01 -0.61 3.45 0.00 -0.80 -2.11 119.26 120.85 1s63 h ALA 123 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1s63 h ALA 123 Cb 1.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1s63 h ALA 123 CO 0.15 0.51 0.13 0.82 0.00 0.00 0.00 179.25 180.86 1s63 h ILE 124 N 1.09 1.25 -0.58 0.00 2.04 -0.86 -0.86 117.51 119.60 1s63 h ILE 124 Ca 0.28 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1s63 h ILE 124 Cb 0.01 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1s63 h ILE 124 CO -0.05 0.35 0.26 -0.08 0.00 0.00 0.00 178.15 178.63 1s63 h GLU 125 N 0.89 0.83 -0.27 2.37 4.81 -1.07 -0.14 114.58 122.00 1s63 h GLU 125 Ca 0.19 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 1s63 h GLU 125 Cb 0.38 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1s63 h GLU 125 CO 0.01 0.66 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.45 1s63 h LEU 126 N 0.82 0.73 -6.12 1.64 3.38 -0.97 -3.41 115.31 111.38 1s63 h LEU 126 Ca 0.20 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1s63 h LEU 126 Cb 0.12 -0.21 -0.23 0.00 0.09 0.00 0.00 40.66 40.43 1s63 h LEU 126 CO -0.02 1.06 -0.51 0.21 0.09 0.00 0.00 178.44 179.26 1s63 s ASN 127 N -6.87 -0.66 0.00 -0.43 2.47 -0.36 -5.01 114.94 104.08 1s63 s ASN 127 Ca -0.08 -0.84 0.11 0.00 0.42 0.00 0.00 52.86 52.46 1s63 s ASN 127 Cb 0.12 1.53 0.48 0.00 -1.45 0.00 0.00 41.25 41.92 1s63 s ASN 127 CO 0.85 -0.23 1.35 0.00 -3.72 0.00 0.00 177.10 175.35 1s63 n ALA 128 N 4.58 1.52 1.31 1.71 0.00 -0.10 -1.82 120.51 127.71 1s63 n ALA 128 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1s63 n ALA 128 Cb 0.53 -1.18 0.42 0.00 0.00 0.00 0.00 19.45 19.22 1s63 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s63 n ALA 129 N -1.49 2.54 -2.48 0.00 0.00 -1.26 -4.66 120.51 113.16 1s63 n ALA 129 Ca 0.03 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 1s63 n ALA 129 Cb 0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1s63 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s63 s ASN 130 N -1.87 6.12 0.50 0.00 3.84 -0.76 -4.84 114.94 117.93 1s63 s ASN 130 Ca 0.35 -0.63 0.24 0.00 0.21 0.00 0.00 52.86 53.03 1s63 s ASN 130 Cb 0.20 -2.56 1.30 0.00 -0.55 0.00 0.00 41.25 39.65 1s63 s ASN 130 CO 0.31 -1.84 2.04 0.10 -2.79 0.00 0.00 177.10 174.91 1s63 h TYR 131 N 10.50 0.00 -0.50 0.43 -0.00 -1.90 -2.67 116.97 122.84 1s63 h TYR 131 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.50 1s63 h TYR 131 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.76 1s63 h TYR 131 CO 1.16 0.15 -0.02 1.15 -0.00 0.00 0.00 178.16 180.60 1s63 h THR 132 N 0.00 1.26 -0.06 -0.90 2.02 -2.00 -1.31 112.91 111.92 1s63 h THR 132 Ca -0.00 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1s63 h THR 132 Cb 0.36 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1s63 h THR 132 CO 0.02 0.39 0.02 0.58 0.37 0.00 0.00 175.52 176.90 1s63 h VAL 133 N 0.75 1.17 -0.73 3.16 2.07 -1.89 -1.27 116.25 119.52 1s63 h VAL 133 Ca 0.14 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1s63 h VAL 133 Cb 0.55 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1s63 h VAL 133 CO 0.03 0.15 0.40 -0.50 0.02 0.00 0.00 177.57 177.66 1s63 h TRP 134 N -0.09 0.72 -0.16 1.57 4.06 -1.44 0.16 115.95 120.77 1s63 h TRP 134 Ca 0.02 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1s63 h TRP 134 Cb 0.21 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1s63 h TRP 134 CO -0.00 0.31 0.08 1.25 -3.56 0.00 0.00 178.44 176.52 1s63 h HIS 135 N 0.70 0.23 -0.97 0.49 2.76 -1.03 -1.52 115.15 115.81 1s63 h HIS 135 Ca 0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1s63 h HIS 135 Cb 0.27 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 1s63 h HIS 135 CO -0.08 0.27 0.61 0.35 -1.30 0.00 0.00 177.93 177.78 1s63 h PHE 136 N 0.13 1.25 -0.99 5.26 3.57 -0.72 -0.94 116.94 124.51 1s63 h PHE 136 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1s63 h PHE 136 Cb 0.13 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 1s63 h PHE 136 CO -0.03 0.81 0.65 -0.09 -2.23 0.00 0.00 178.31 177.43 1s63 h ARG 137 N 1.33 1.28 -0.26 1.11 2.43 -0.35 -0.75 114.38 119.16 1s63 h ARG 137 Ca 0.35 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1s63 h ARG 137 Cb -0.10 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.15 1s63 h ARG 137 CO -0.07 0.85 -0.31 0.00 -1.51 0.00 0.00 179.97 178.92 1s63 h ARG 138 N 1.32 0.55 -0.78 0.20 3.08 -0.32 0.84 114.38 119.27 1s63 h ARG 138 Ca 0.37 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1s63 h ARG 138 Cb -0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1s63 h ARG 138 CO -0.09 0.80 0.33 0.28 -1.07 0.00 0.00 179.97 180.22 1s63 h VAL 139 N 0.47 1.25 -0.29 2.04 2.07 -0.26 -2.60 116.25 118.94 1s63 h VAL 139 Ca 0.06 -0.77 -0.18 0.00 0.82 0.00 0.00 66.70 66.63 1s63 h VAL 139 Cb 0.78 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1s63 h VAL 139 CO 0.06 0.32 -0.53 -0.07 0.02 0.00 0.00 177.57 177.37 1s63 h LEU 140 N 1.12 0.94 -0.90 2.57 3.38 -0.72 -1.07 115.31 120.63 1s63 h LEU 140 Ca 0.26 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.84 1s63 h LEU 140 Cb 0.18 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1s63 h LEU 140 CO -0.03 1.29 0.53 -0.07 0.09 0.00 0.00 178.44 180.26 1s63 h LEU 141 N 0.66 0.77 0.07 1.67 3.38 -0.56 0.83 115.31 122.12 1s63 h LEU 141 Ca 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s63 h LEU 141 Cb 1.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1s63 h LEU 141 CO 0.12 0.42 -0.03 0.50 0.09 0.00 0.00 178.44 179.54 1s63 h LYS 142 N 0.87 -0.08 -0.33 1.13 3.64 -1.37 -0.24 116.57 120.18 1s63 h LYS 142 Ca 0.44 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 1s63 h LYS 142 Cb 0.43 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1s63 h LYS 142 CO -0.26 0.50 0.00 0.77 -2.27 0.00 0.00 179.45 178.19 1s63 h SER 143 N -0.85 -0.13 0.34 4.20 0.02 -1.01 -1.38 113.55 114.74 1s63 h SER 143 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s63 h SER 143 Cb 0.62 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1s63 h SER 143 CO 0.01 -0.03 -0.01 0.18 -1.14 0.00 0.00 176.83 175.85 1s63 n LEU 144 N -5.17 0.05 -3.82 5.07 4.77 0.27 -4.92 117.00 113.26 1s63 n LEU 144 Ca 0.01 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1s63 n LEU 144 Cb 0.17 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1s63 n LEU 144 CO 0.22 0.01 -0.09 0.00 -1.33 0.00 0.00 177.39 176.20 1s63 n GLN 145 N -1.14 -4.48 -2.10 3.23 6.02 -0.52 -4.92 117.38 113.47 1s63 n GLN 145 Ca 0.18 0.55 -0.36 0.00 -0.01 0.00 0.00 57.00 57.36 1s63 n GLN 145 Cb 0.20 -5.03 0.02 0.00 1.02 0.00 0.00 30.24 26.45 1s63 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1s63 s LYS 146 N -6.25 3.15 -0.18 -1.09 -0.14 -0.15 -4.92 119.74 110.15 1s63 s LYS 146 Ca 0.11 1.77 -0.29 0.00 -1.36 0.00 0.00 55.97 56.19 1s63 s LYS 146 Cb -0.06 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1s63 s LYS 146 CO 0.84 -1.05 1.75 0.34 -0.76 0.00 0.00 175.35 176.47 1s63 s ASP 147 N -1.62 6.26 0.46 2.83 -1.08 -1.26 -4.88 116.67 117.38 1s63 s ASP 147 Ca 0.75 1.82 0.23 0.00 -0.52 0.00 0.00 52.55 54.84 1s63 s ASP 147 Cb -0.28 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.78 1s63 s ASP 147 CO 0.31 -1.32 1.94 -0.07 0.52 0.00 0.00 175.17 176.55 1s63 h LEU 148 N 12.00 0.00 -0.72 -1.34 3.38 -1.96 -2.33 115.31 124.34 1s63 h LEU 148 Ca -0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1s63 h LEU 148 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1s63 h LEU 148 CO 0.99 0.21 -0.64 0.45 0.09 0.00 0.00 178.44 179.54 1s63 h HIS 149 N 0.00 0.03 -0.35 1.13 3.86 -1.99 0.32 115.15 118.16 1s63 h HIS 149 Ca -0.00 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 1s63 h HIS 149 Cb 0.54 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1s63 h HIS 149 CO 0.00 0.65 -0.39 1.49 0.86 0.00 0.00 177.93 180.54 1s63 h GLU 150 N 0.02 0.87 -0.17 2.45 4.57 -1.84 -2.33 114.58 118.16 1s63 h GLU 150 Ca -0.01 -0.48 -0.09 0.00 -1.18 0.00 0.00 59.36 57.61 1s63 h GLU 150 Cb 1.13 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1s63 h GLU 150 CO 0.08 1.12 -0.27 1.49 -1.18 0.00 0.00 179.01 180.25 1s63 h GLU 151 N 0.67 0.32 -0.62 1.92 4.57 -1.04 -1.91 114.58 118.49 1s63 h GLU 151 Ca 0.05 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 1s63 h GLU 151 Cb 0.98 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1s63 h GLU 151 CO 0.09 0.57 0.15 0.52 -1.18 0.00 0.00 179.01 179.16 1s63 h MET 152 N 0.28 0.97 -0.64 1.92 2.86 -0.66 -0.44 114.93 119.22 1s63 h MET 152 Ca 0.04 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1s63 h MET 152 Cb 0.63 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1s63 h MET 152 CO 0.05 0.87 0.09 -0.91 1.06 0.00 0.00 176.91 178.07 1s63 h ASN 153 N 0.93 1.01 0.19 1.22 2.35 -0.84 -1.13 115.58 119.32 1s63 h ASN 153 Ca 0.20 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1s63 h ASN 153 Cb 0.34 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1s63 h ASN 153 CO 0.00 1.01 -0.09 0.22 -1.65 0.00 0.00 177.43 176.92 1s63 h TYR 154 N 0.99 -0.24 0.00 1.19 3.20 -0.87 -2.64 116.97 118.61 1s63 h TYR 154 Ca 0.20 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1s63 h TYR 154 Cb 0.44 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1s63 h TYR 154 CO 0.03 -0.01 -0.13 0.97 -1.64 0.00 0.00 178.16 177.37 1s63 h ILE 155 N -0.43 1.07 -0.27 1.81 6.09 -0.95 -1.14 117.51 123.69 1s63 h ILE 155 Ca -0.03 -0.46 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1s63 h ILE 155 Cb 0.33 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 1s63 h ILE 155 CO 0.04 0.13 0.11 0.74 -3.07 0.00 0.00 178.15 176.10 1s63 h THR 156 N 0.00 1.17 -0.56 2.19 2.02 -1.10 -0.23 112.91 116.40 1s63 h THR 156 Ca -0.00 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1s63 h THR 156 Cb 0.24 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1s63 h THR 156 CO 0.02 0.18 0.01 0.00 0.37 0.00 0.00 175.52 176.10 1s63 h ALA 157 N 0.95 0.76 -0.07 6.16 0.00 -0.99 -2.24 119.26 123.83 1s63 h ALA 157 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s63 h ALA 157 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s63 h ALA 157 CO -0.01 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.67 1s63 h ILE 158 N 0.88 1.15 -0.96 0.00 1.08 -1.02 -2.69 117.51 115.94 1s63 h ILE 158 Ca 0.16 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1s63 h ILE 158 Cb 0.53 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 1s63 h ILE 158 CO 0.03 0.12 0.58 0.40 -0.69 0.00 0.00 178.15 178.59 1s63 h ILE 159 N -0.06 1.26 -0.94 -0.67 2.04 -1.02 0.18 117.51 118.31 1s63 h ILE 159 Ca 0.02 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.40 1s63 h ILE 159 Cb 0.17 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.09 1s63 h ILE 159 CO -0.00 0.27 0.59 -0.33 0.00 0.00 0.00 178.15 178.68 1s63 h GLU 160 N 1.32 1.00 -0.06 2.37 4.39 -1.26 -0.34 114.58 122.00 1s63 h GLU 160 Ca 0.34 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.75 1s63 h GLU 160 Cb -0.07 -0.23 0.02 0.00 -0.10 0.00 0.00 28.75 28.37 1s63 h GLU 160 CO -0.07 0.66 -0.88 0.93 -1.16 0.00 0.00 179.01 178.49 1s63 h GLU 161 N 1.03 0.71 -2.35 2.33 5.08 -1.02 -3.40 114.58 116.97 1s63 h GLU 161 Ca 0.42 -0.68 -0.59 0.00 -1.00 0.00 0.00 59.36 57.51 1s63 h GLU 161 Cb 0.25 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 29.28 1s63 h GLU 161 CO -0.20 1.27 -0.86 1.04 -1.00 0.00 0.00 179.01 179.27 1s63 n GLN 162 N -3.93 1.19 0.06 2.33 6.02 -0.02 -4.97 117.38 118.05 1s63 n GLN 162 Ca -0.09 -3.77 0.11 0.00 -0.01 0.00 0.00 57.00 53.23 1s63 n GLN 162 Cb 0.80 -1.78 0.45 0.00 1.02 0.00 0.00 30.24 30.74 1s63 n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1s63 n PRO 163 N 1.78 0.11 -3.24 -1.09 -0.04 -0.17 -4.16 135.00 128.19 1s63 n PRO 163 Ca 0.25 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.55 1s63 n PRO 163 Cb 0.46 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 1s63 n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1s63 n LYS 164 N -1.86 3.68 -3.65 0.54 5.02 -1.26 -4.80 118.16 115.82 1s63 n LYS 164 Ca 0.04 -4.55 -0.11 0.00 -2.02 0.00 0.00 58.31 51.67 1s63 n LYS 164 Cb 0.28 -2.46 -0.08 0.00 -0.02 0.00 0.00 35.03 32.75 1s63 n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s63 s ASN 165 N -1.07 -0.76 0.09 4.39 3.84 -1.26 -5.07 114.94 115.10 1s63 s ASN 165 Ca 0.32 1.36 -0.14 0.00 0.21 0.00 0.00 52.86 54.61 1s63 s ASN 165 Cb 0.02 1.32 -0.14 0.00 -0.55 0.00 0.00 41.25 41.89 1s63 s ASN 165 CO 0.01 -0.23 1.32 1.88 -2.79 0.00 0.00 177.10 177.29 1s63 h TYR 166 N 5.85 0.97 -0.74 0.43 -1.99 -1.94 -3.35 116.97 116.21 1s63 h TYR 166 Ca -0.30 -0.40 -0.01 0.00 2.00 0.00 0.00 58.73 60.02 1s63 h TYR 166 Cb 1.19 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.72 1s63 h TYR 166 CO 0.27 1.21 0.40 1.96 -0.00 0.00 0.00 178.16 182.01 1s63 h GLN 167 N 0.45 1.03 -0.60 4.88 7.50 -1.94 -2.06 115.11 124.37 1s63 h GLN 167 Ca -0.03 -0.12 -0.06 0.00 0.50 0.00 0.00 58.65 58.95 1s63 h GLN 167 Cb 1.24 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.55 1s63 h GLN 167 CO 0.13 0.76 0.15 -0.39 -1.50 0.00 0.00 178.83 177.99 1s63 h VAL 168 N 1.02 1.25 -0.39 -0.54 -1.51 -1.83 -0.63 116.25 113.62 1s63 h VAL 168 Ca 0.26 -0.89 -0.15 0.00 -1.23 0.00 0.00 66.70 64.69 1s63 h VAL 168 Cb 0.03 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 1s63 h VAL 168 CO -0.04 0.33 -0.34 -0.50 -1.23 0.00 0.00 177.57 175.80 1s63 h TRP 169 N 0.86 1.06 -0.71 5.19 4.06 -1.67 -2.07 115.95 122.68 1s63 h TRP 169 Ca 0.19 -0.29 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 1s63 h TRP 169 Cb 0.34 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 1s63 h TRP 169 CO 0.02 1.10 0.22 1.25 -3.56 0.00 0.00 178.44 177.47 1s63 h HIS 170 N 0.74 1.14 -0.48 0.49 2.76 -1.16 -0.89 115.15 117.76 1s63 h HIS 170 Ca 0.07 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1s63 h HIS 170 Cb 0.91 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1s63 h HIS 170 CO 0.06 0.91 0.32 1.25 -1.30 0.00 0.00 177.93 179.16 1s63 h HIS 171 N 1.04 0.60 -0.64 5.26 6.17 -0.93 -0.96 115.15 125.70 1s63 h HIS 171 Ca 0.23 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.31 1s63 h HIS 171 Cb 0.31 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.00 1s63 h HIS 171 CO 0.02 0.38 0.36 -0.09 0.71 0.00 0.00 177.93 179.31 1s63 h ARG 172 N 0.65 0.88 -0.61 5.26 2.43 -1.05 -1.83 114.38 120.10 1s63 h ARG 172 Ca 0.18 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1s63 h ARG 172 Cb -0.07 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1s63 h ARG 172 CO -0.04 0.65 0.40 -0.09 -1.51 0.00 0.00 179.97 179.38 1s63 h ARG 173 N 0.87 0.80 -0.89 0.20 2.43 -0.69 -1.39 114.38 115.71 1s63 h ARG 173 Ca 0.23 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1s63 h ARG 173 Cb 0.02 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 1s63 h ARG 173 CO -0.04 0.53 0.58 0.28 -1.51 0.00 0.00 179.97 179.81 1s63 h VAL 174 N 0.83 1.20 -0.42 0.20 2.07 -0.79 -0.40 116.25 118.93 1s63 h VAL 174 Ca 0.22 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1s63 h VAL 174 Cb -0.10 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.58 1s63 h VAL 174 CO -0.05 0.21 0.20 -0.07 0.02 0.00 0.00 177.57 177.88 1s63 h LEU 175 N 1.17 0.56 -0.84 2.57 3.38 -0.81 0.92 115.31 122.26 1s63 h LEU 175 Ca 0.34 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1s63 h LEU 175 Cb -0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1s63 h LEU 175 CO -0.09 0.54 0.18 0.58 0.09 0.00 0.00 178.44 179.74 1s63 h VAL 176 N 0.54 1.25 -0.50 1.22 2.07 -0.84 -0.06 116.25 119.93 1s63 h VAL 176 Ca 0.14 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1s63 h VAL 176 Cb 0.13 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1s63 h VAL 176 CO -0.02 0.35 0.09 -0.33 0.02 0.00 0.00 177.57 177.68 1s63 h GLU 177 N 1.00 0.82 -0.57 1.57 5.08 -0.67 0.70 114.58 122.52 1s63 h GLU 177 Ca 0.21 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1s63 h GLU 177 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1s63 h GLU 177 CO -0.00 0.81 0.14 -1.49 -1.00 0.00 0.00 179.01 177.47 1s63 h TRP 178 N 0.70 0.95 0.00 4.33 6.55 -0.45 -3.06 115.95 124.97 1s63 h TRP 178 Ca 0.15 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 1s63 h TRP 178 Cb 0.39 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1s63 h TRP 178 CO 0.03 0.81 -0.54 -0.07 -1.05 0.00 0.00 178.44 177.62 1s63 h LEU 179 N 0.81 0.00 1.27 -4.49 3.38 -0.89 -3.47 115.31 111.91 1s63 h LEU 179 Ca 0.18 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.76 1s63 h LEU 179 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1s63 h LEU 179 CO 0.00 0.05 -0.57 0.54 0.09 0.00 0.00 178.44 178.56 1s63 n ARG 180 N -2.91 -4.00 -3.90 1.13 5.12 0.24 -4.95 116.66 107.39 1s63 n ARG 180 Ca 0.01 0.81 -0.30 0.00 -1.93 0.00 0.00 57.85 56.44 1s63 n ARG 180 Cb 0.56 -5.60 -0.15 0.00 -1.16 0.00 0.00 32.46 26.12 1s63 n ARG 180 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1s63 s ASP 181 N -2.58 4.39 0.00 0.55 2.15 -1.11 -4.96 116.67 115.12 1s63 s ASP 181 Ca 0.26 -1.86 0.22 0.00 0.43 0.00 0.00 52.55 51.60 1s63 s ASP 181 Cb -0.12 -1.29 0.55 0.00 -0.30 0.00 0.00 42.92 41.76 1s63 s ASP 181 CO 0.33 -0.38 1.47 -0.81 -0.17 0.00 0.00 175.17 175.61 1s63 n PRO 182 N 4.53 2.51 0.17 4.34 -0.04 -1.26 -4.61 135.00 140.64 1s63 n PRO 182 Ca -0.00 -2.33 0.18 0.00 -0.04 0.00 0.00 63.50 61.31 1s63 n PRO 182 Cb 0.42 -1.52 0.80 0.00 -0.04 0.00 0.00 33.50 33.16 1s63 n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s63 h SER 183 N 4.04 0.00 0.00 3.54 4.64 -2.00 -1.91 113.55 121.87 1s63 h SER 183 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s63 h SER 183 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1s63 h SER 183 CO 0.00 0.00 -1.04 0.00 -0.87 0.00 0.00 176.83 174.92 1s63 n GLN 184 N -3.83 0.03 0.32 4.77 6.02 -1.26 -4.75 117.38 118.69 1s63 n GLN 184 Ca 0.03 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.84 1s63 n GLN 184 Cb 0.39 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.06 1s63 n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1s63 h GLU 185 N 0.00 -0.98 -0.84 -1.09 4.39 -1.67 -1.48 114.58 112.90 1s63 h GLU 185 Ca 0.00 0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1s63 h GLU 185 Cb 0.52 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1s63 h GLU 185 CO 0.00 -0.65 0.55 -0.07 -1.16 0.00 0.00 179.01 177.68 1s63 h LEU 186 N -1.02 0.82 -0.15 1.33 3.38 -1.86 0.90 115.31 118.72 1s63 h LEU 186 Ca -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1s63 h LEU 186 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1s63 h LEU 186 CO -0.00 0.53 -0.20 -0.08 0.09 0.00 0.00 178.44 178.78 1s63 h GLU 187 N 0.94 0.39 -0.15 1.13 4.81 -1.87 -1.05 114.58 118.78 1s63 h GLU 187 Ca 0.36 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1s63 h GLU 187 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1s63 h GLU 187 CO -0.13 0.81 0.09 0.35 -0.73 0.00 0.00 179.01 179.40 1s63 h PHE 188 N 0.01 0.20 -0.59 0.92 3.57 -0.78 -2.16 116.94 118.11 1s63 h PHE 188 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s63 h PHE 188 Cb 0.76 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1s63 h PHE 188 CO 0.09 0.17 0.37 0.82 -2.23 0.00 0.00 178.31 177.53 1s63 h ILE 189 N 0.17 1.17 -0.67 1.41 2.04 -0.85 -1.27 117.51 119.50 1s63 h ILE 189 Ca 0.05 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1s63 h ILE 189 Cb 0.03 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1s63 h ILE 189 CO -0.01 0.17 0.45 0.00 0.00 0.00 0.00 178.15 178.76 1s63 h ALA 190 N 1.19 2.01 -0.33 1.87 0.00 -0.93 1.00 119.26 124.07 1s63 h ALA 190 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1s63 h ALA 190 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s63 h ALA 190 CO -0.04 -0.17 -0.26 0.22 0.00 0.00 0.00 179.25 179.00 1s63 h ASP 191 N 0.45 0.81 -0.29 0.00 3.58 -0.59 0.12 116.42 120.50 1s63 h ASP 191 Ca 0.32 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1s63 h ASP 191 Cb 0.62 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1s63 h ASP 191 CO -0.10 1.08 0.11 0.40 -2.88 0.00 0.00 179.24 177.86 1s63 h ILE 192 N 0.54 1.18 0.00 2.25 1.08 -0.62 -2.15 117.51 119.78 1s63 h ILE 192 Ca 0.06 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1s63 h ILE 192 Cb 0.83 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1s63 h ILE 192 CO 0.07 0.19 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.57 1s63 h LEU 193 N 0.32 0.00 -1.32 1.44 3.38 -0.74 0.28 115.31 118.66 1s63 h LEU 193 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1s63 h LEU 193 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1s63 h LEU 193 CO -0.01 0.08 -0.26 -1.13 0.09 0.00 0.00 178.44 177.21 1s63 h ASN 194 N 0.00 0.00 0.36 -0.43 -1.24 -0.09 -1.99 115.58 112.19 1s63 h ASN 194 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 1s63 h ASN 194 Cb 0.38 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.39 1s63 h ASN 194 CO 0.01 0.26 -1.83 0.00 -1.29 0.00 0.00 177.43 174.58 1s63 n GLN 195 N -3.62 0.67 -3.39 6.67 6.02 -0.01 -4.75 117.38 118.97 1s63 n GLN 195 Ca -0.01 0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 57.09 1s63 n GLN 195 Cb 0.39 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 1s63 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1s63 s ASP 196 N -6.32 1.50 0.00 1.08 3.68 -0.64 -5.03 116.67 110.93 1s63 s ASP 196 Ca -0.10 -0.86 0.09 0.00 2.13 0.00 0.00 52.55 53.81 1s63 s ASP 196 Cb 0.08 0.56 0.47 0.00 -1.45 0.00 0.00 42.92 42.58 1s63 s ASP 196 CO 0.81 -0.37 1.12 0.00 0.13 0.00 0.00 175.17 176.86 1s63 n ALA 197 N 5.15 1.65 -0.18 3.66 0.00 -0.76 -2.48 120.51 127.55 1s63 n ALA 197 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1s63 n ALA 197 Cb 0.46 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.77 1s63 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s63 n LYS 198 N -1.22 2.53 -1.61 0.00 5.02 -1.26 -4.84 118.16 116.79 1s63 n LYS 198 Ca 0.05 -1.42 -0.50 0.00 -2.02 0.00 0.00 58.31 54.42 1s63 n LYS 198 Cb 0.06 -0.96 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1s63 n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s63 n ASN 199 N -0.47 2.85 -0.23 4.39 2.85 -1.03 -4.83 115.26 118.78 1s63 n ASN 199 Ca 0.01 0.76 -0.06 0.00 -0.11 0.00 0.00 54.58 55.18 1s63 n ASN 199 Cb 0.30 -1.31 0.04 0.00 1.24 0.00 0.00 39.78 40.05 1s63 n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1s63 h TYR 200 N 10.28 0.87 -0.50 1.20 3.20 -1.94 -2.21 116.97 127.88 1s63 h TYR 200 Ca -0.41 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.36 1s63 h TYR 200 Cb 1.29 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1s63 h TYR 200 CO 0.89 0.61 -0.04 0.45 -1.64 0.00 0.00 178.16 178.42 1s63 h HIS 201 N 0.88 0.94 -0.15 -3.82 3.86 -1.88 -1.19 115.15 113.79 1s63 h HIS 201 Ca 0.23 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1s63 h HIS 201 Cb 0.01 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1s63 h HIS 201 CO -0.01 0.87 0.06 0.00 0.86 0.00 0.00 177.93 179.71 1s63 h ALA 202 N 1.15 0.19 -0.70 2.45 0.00 -1.81 -0.02 119.26 120.52 1s63 h ALA 202 Ca 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1s63 h ALA 202 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1s63 h ALA 202 CO 0.03 -0.22 0.24 -1.49 0.00 0.00 0.00 179.25 177.81 1s63 h TRP 203 N 0.08 1.11 -0.57 0.00 4.06 -1.25 -0.11 115.95 119.28 1s63 h TRP 203 Ca 0.05 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 1s63 h TRP 203 Cb 0.17 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 1s63 h TRP 203 CO -0.01 0.88 0.21 0.37 -3.56 0.00 0.00 178.44 176.32 1s63 h GLN 204 N 1.02 0.87 -0.68 0.49 4.15 -1.04 -0.38 115.11 119.54 1s63 h GLN 204 Ca 0.23 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1s63 h GLN 204 Cb 0.27 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1s63 h GLN 204 CO -0.01 0.76 0.11 1.25 -1.93 0.00 0.00 178.83 179.01 1s63 h HIS 205 N 0.79 1.20 -0.51 3.99 2.76 -0.74 -2.05 115.15 120.59 1s63 h HIS 205 Ca 0.19 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1s63 h HIS 205 Cb 0.23 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 1s63 h HIS 205 CO 0.01 1.00 0.33 -0.09 -1.30 0.00 0.00 177.93 177.88 1s63 h ARG 206 N 1.05 0.68 -0.69 5.26 2.43 -0.54 -1.31 114.38 121.26 1s63 h ARG 206 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1s63 h ARG 206 Cb 0.45 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1s63 h ARG 206 CO 0.01 0.46 0.32 1.96 -1.51 0.00 0.00 179.97 181.21 1s63 h GLN 207 N 0.69 1.00 0.11 0.20 4.20 -0.82 -1.74 115.11 118.76 1s63 h GLN 207 Ca 0.19 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1s63 h GLN 207 Cb -0.06 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1s63 h GLN 207 CO -0.04 0.80 -0.05 2.35 -0.67 0.00 0.00 178.83 181.22 1s63 h TRP 208 N 0.96 -0.14 -0.12 2.96 7.01 -0.96 -0.95 115.95 124.72 1s63 h TRP 208 Ca 0.23 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.25 1s63 h TRP 208 Cb 0.14 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1s63 h TRP 208 CO 0.01 -0.07 -0.02 0.28 -2.79 0.00 0.00 178.44 175.85 1s63 h VAL 209 N -0.17 0.89 -0.41 2.65 2.07 -1.10 0.20 116.25 120.38 1s63 h VAL 209 Ca -0.02 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1s63 h VAL 209 Cb 0.13 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1s63 h VAL 209 CO 0.03 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.26 1s63 h ILE 210 N 0.01 1.04 -0.17 4.57 2.04 -1.23 0.18 117.51 123.95 1s63 h ILE 210 Ca 0.06 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1s63 h ILE 210 Cb 0.08 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1s63 h ILE 210 CO -0.11 0.09 -0.23 -0.61 0.00 0.00 0.00 178.15 177.29 1s63 h GLN 211 N 0.49 0.45 -0.58 2.37 4.15 -1.01 0.84 115.11 121.82 1s63 h GLN 211 Ca 0.16 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 1s63 h GLN 211 Cb 0.01 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1s63 h GLN 211 CO -0.08 0.84 -0.01 1.49 -1.93 0.00 0.00 178.83 179.15 1s63 h GLU 212 N 0.09 1.02 -0.42 1.69 4.57 -0.46 -3.19 114.58 117.87 1s63 h GLU 212 Ca 0.02 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1s63 h GLU 212 Cb 0.79 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1s63 h GLU 212 CO 0.05 1.00 0.00 1.19 -1.18 0.00 0.00 179.01 180.07 1s63 n PHE 213 N -4.18 0.68 -3.77 0.92 3.01 0.04 -5.00 117.46 109.16 1s63 n PHE 213 Ca 0.03 -0.56 -0.26 0.00 1.01 0.00 0.00 57.45 57.67 1s63 n PHE 213 Cb 0.34 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.75 1s63 n PHE 213 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1s63 n LYS 214 N 0.61 -2.95 -2.52 -1.08 5.02 0.10 -4.91 118.16 112.43 1s63 n LYS 214 Ca 0.16 0.49 -0.40 0.00 -2.02 0.00 0.00 58.31 56.54 1s63 n LYS 214 Cb 0.55 -4.58 0.02 0.00 -0.02 0.00 0.00 35.03 31.00 1s63 n LYS 214 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s63 n LEU 215 N -4.26 7.25 0.06 -0.35 4.77 -0.08 -4.72 117.00 119.67 1s63 n LEU 215 Ca -0.23 -5.30 -0.04 0.00 -0.03 0.00 0.00 56.01 50.41 1s63 n LEU 215 Cb 0.65 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1s63 n LEU 215 CO 0.70 2.01 0.04 -0.50 -1.33 0.00 0.00 177.39 178.31 1s63 h TRP 216 N 3.92 0.00 -0.92 -1.77 4.06 -1.91 -3.42 115.95 115.91 1s63 h TRP 216 Ca 0.53 0.00 0.29 0.00 2.06 0.00 0.00 58.89 61.76 1s63 h TRP 216 Cb 0.28 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.27 1s63 h TRP 216 CO 1.28 0.84 0.14 -0.25 -3.56 0.00 0.00 178.44 176.90 1s63 n ASP 217 N -3.21 0.00 -0.37 -3.49 10.43 -1.26 -2.25 116.55 116.40 1s63 n ASP 217 Ca -0.04 1.56 0.03 0.00 2.57 0.00 0.00 54.79 58.91 1s63 n ASP 217 Cb 0.91 -0.62 0.09 0.00 1.84 0.00 0.00 41.12 43.34 1s63 n ASP 217 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1s63 n ASN 218 N -5.29 2.54 0.05 -2.24 3.02 -1.26 -4.72 115.26 107.37 1s63 n ASN 218 Ca 0.25 -2.01 -0.05 0.00 -0.03 0.00 0.00 54.58 52.74 1s63 n ASN 218 Cb 0.84 -0.14 0.15 0.00 -0.61 0.00 0.00 39.78 40.02 1s63 n ASN 218 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s63 h GLU 219 N 1.17 0.37 -0.28 3.52 4.57 -1.71 -2.38 114.58 119.85 1s63 h GLU 219 Ca 0.00 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 1s63 h GLU 219 Cb 0.64 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1s63 h GLU 219 CO 0.00 0.76 -0.20 1.25 -1.18 0.00 0.00 179.01 179.64 1s63 h LEU 220 N 0.30 0.50 -0.57 1.64 5.85 -1.84 0.68 115.31 121.86 1s63 h LEU 220 Ca 0.02 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1s63 h LEU 220 Cb 0.93 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1s63 h LEU 220 CO 0.08 0.71 -0.06 1.56 -0.34 0.00 0.00 178.44 180.38 1s63 h GLN 221 N 0.46 1.05 -0.46 1.25 4.20 -1.85 0.11 115.11 119.86 1s63 h GLN 221 Ca 0.07 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1s63 h GLN 221 Cb 0.60 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1s63 h GLN 221 CO 0.04 1.07 0.19 -0.92 -0.67 0.00 0.00 178.83 178.53 1s63 h TYR 222 N 0.94 0.70 -0.23 2.96 3.20 -0.85 -1.32 116.97 122.37 1s63 h TYR 222 Ca 0.15 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1s63 h TYR 222 Cb 0.63 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1s63 h TYR 222 CO 0.04 0.59 0.08 0.28 -1.64 0.00 0.00 178.16 177.51 1s63 h VAL 223 N 0.60 0.94 -0.90 1.81 2.07 -0.65 -1.67 116.25 118.45 1s63 h VAL 223 Ca 0.15 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1s63 h VAL 223 Cb 0.19 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1s63 h VAL 223 CO -0.01 0.03 0.60 0.44 0.02 0.00 0.00 177.57 178.65 1s63 h ASP 224 N 0.18 0.99 -0.25 0.57 3.32 -0.73 0.32 116.42 120.82 1s63 h ASP 224 Ca 0.10 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1s63 h ASP 224 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1s63 h ASP 224 CO -0.10 0.69 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.49 1s63 h GLN 225 N 1.15 0.45 -0.03 3.56 5.75 -0.85 -1.84 115.11 123.30 1s63 h GLN 225 Ca 0.35 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1s63 h GLN 225 Cb -0.02 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1s63 h GLN 225 CO -0.10 0.63 -0.35 -0.07 -2.65 0.00 0.00 178.83 176.28 1s63 h LEU 226 N 0.23 0.06 -0.75 -2.39 3.38 -0.87 -1.79 115.31 113.18 1s63 h LEU 226 Ca 0.07 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1s63 h LEU 226 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1s63 h LEU 226 CO 0.01 0.42 -0.61 -0.07 0.09 0.00 0.00 178.44 178.28 1s63 h LEU 227 N 0.06 0.06 -0.64 1.67 3.38 -0.82 -0.82 115.31 118.19 1s63 h LEU 227 Ca 0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1s63 h LEU 227 Cb 0.66 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1s63 h LEU 227 CO 0.05 0.66 -0.42 0.50 0.09 0.00 0.00 178.44 179.32 1s63 h LYS 228 N 0.04 0.59 -0.24 1.13 3.64 -0.78 -1.59 116.57 119.37 1s63 h LYS 228 Ca -0.01 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.93 1s63 h LYS 228 Cb 1.09 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1s63 h LYS 228 CO 0.08 0.90 -0.39 0.93 -2.27 0.00 0.00 179.45 178.70 1s63 h GLU 229 N 0.48 0.68 -1.64 1.90 5.08 -1.04 -3.42 114.58 116.62 1s63 h GLU 229 Ca 0.04 -0.41 -0.19 0.00 -1.00 0.00 0.00 59.36 57.79 1s63 h GLU 229 Cb 0.93 0.04 -0.28 0.00 0.50 0.00 0.00 28.75 29.94 1s63 h GLU 229 CO 0.08 1.03 -0.54 0.34 -1.00 0.00 0.00 179.01 178.92 1s63 s ASP 230 N -6.64 0.22 0.25 1.42 -1.08 -0.34 -5.00 116.67 105.50 1s63 s ASP 230 Ca -0.12 -0.59 0.21 0.00 -0.52 0.00 0.00 52.55 51.53 1s63 s ASP 230 Cb 0.08 1.15 0.98 0.00 -1.46 0.00 0.00 42.92 43.67 1s63 s ASP 230 CO 0.84 -0.32 1.64 0.55 0.52 0.00 0.00 175.17 178.40 1s63 n VAL 231 N 5.08 0.98 1.07 1.11 3.14 -0.60 -1.56 118.33 127.54 1s63 n VAL 231 Ca 0.04 0.44 0.11 0.00 -2.96 0.00 0.00 64.34 61.96 1s63 n VAL 231 Cb 0.50 -1.39 0.34 0.00 -1.06 0.00 0.00 33.84 32.23 1s63 n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1s63 n ARG 232 N -2.17 1.89 -2.33 1.45 1.74 -1.26 -4.78 116.66 111.21 1s63 n ARG 232 Ca 0.01 -1.33 -0.39 0.00 -0.77 0.00 0.00 57.85 55.37 1s63 n ARG 232 Cb 0.14 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1s63 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s63 s ASN 233 N -1.59 5.79 0.51 0.55 3.84 -0.60 -4.84 114.94 118.60 1s63 s ASN 233 Ca 0.33 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.25 1s63 s ASN 233 Cb 0.19 -2.55 1.24 0.00 -0.55 0.00 0.00 41.25 39.58 1s63 s ASN 233 CO 0.28 -2.08 2.14 -1.13 -2.79 0.00 0.00 177.10 173.52 1s63 h ASN 234 N 11.85 0.04 -0.14 -4.21 -1.24 -1.90 -1.22 115.58 118.76 1s63 h ASN 234 Ca -0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 1s63 h ASN 234 Cb 1.08 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 1s63 h ASN 234 CO 1.27 0.03 -0.01 0.28 -1.29 0.00 0.00 177.43 177.71 1s63 h SER 235 N 0.04 0.35 -0.01 1.15 0.02 -1.90 -1.37 113.55 111.84 1s63 h SER 235 Ca 0.02 -0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 60.67 1s63 h SER 235 Cb 0.04 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.51 1s63 h SER 235 CO -0.00 0.42 -0.97 0.58 -1.14 0.00 0.00 176.83 175.72 1s63 h VAL 236 N 0.37 1.29 -0.48 2.27 2.07 -1.55 -1.82 116.25 118.40 1s63 h VAL 236 Ca 0.08 -2.19 -0.06 0.00 0.82 0.00 0.00 66.70 65.36 1s63 h VAL 236 Cb 0.26 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1s63 h VAL 236 CO 0.01 0.68 0.06 -0.50 0.02 0.00 0.00 177.57 177.84 1s63 h TRP 237 N 0.42 0.78 -0.61 1.57 4.06 -1.32 0.20 115.95 121.06 1s63 h TRP 237 Ca -0.11 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.71 1s63 h TRP 237 Cb 1.61 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 29.52 1s63 h TRP 237 CO 0.10 0.69 0.18 -0.97 -3.56 0.00 0.00 178.44 174.88 1s63 h ASN 238 N 0.72 0.90 -0.39 -3.49 -1.24 -1.17 -2.23 115.58 108.68 1s63 h ASN 238 Ca 0.15 -0.22 -0.06 0.00 0.71 0.00 0.00 56.30 56.88 1s63 h ASN 238 Cb 0.35 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 1s63 h ASN 238 CO 0.01 0.88 0.04 -0.61 -1.29 0.00 0.00 177.43 176.45 1s63 h GLN 239 N 0.88 0.75 -0.39 6.67 5.75 -0.66 -1.03 115.11 127.07 1s63 h GLN 239 Ca 0.19 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1s63 h GLN 239 Cb 0.31 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1s63 h GLN 239 CO -0.00 0.74 0.21 -0.09 -2.65 0.00 0.00 178.83 177.04 1s63 h ARG 240 N 0.71 0.42 -0.66 1.69 2.43 -0.60 0.16 114.38 118.52 1s63 h ARG 240 Ca 0.15 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1s63 h ARG 240 Cb 0.38 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1s63 h ARG 240 CO 0.01 0.28 0.19 -0.92 -1.51 0.00 0.00 179.97 178.02 1s63 h TYR 241 N 0.43 1.09 -0.32 2.20 3.20 -0.99 -1.74 116.97 120.84 1s63 h TYR 241 Ca 0.16 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1s63 h TYR 241 Cb 0.03 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1s63 h TYR 241 CO -0.08 0.89 0.19 0.35 -1.64 0.00 0.00 178.16 177.86 1s63 h PHE 242 N 0.97 0.36 0.24 -3.82 3.57 -0.44 -1.14 116.94 116.68 1s63 h PHE 242 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1s63 h PHE 242 Cb 0.33 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1s63 h PHE 242 CO 0.02 0.21 -0.12 0.28 -2.23 0.00 0.00 178.31 176.48 1s63 h VAL 243 N 0.39 0.82 -0.24 1.41 2.07 -0.48 -2.82 116.25 117.40 1s63 h VAL 243 Ca 0.12 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1s63 h VAL 243 Cb -0.01 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1s63 h VAL 243 CO -0.05 0.08 0.06 0.40 0.02 0.00 0.00 177.57 178.07 1s63 h ILE 244 N -0.50 1.21 -0.04 4.57 2.04 -1.27 -1.80 117.51 121.72 1s63 h ILE 244 Ca -0.03 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s63 h ILE 244 Cb 0.37 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1s63 h ILE 244 CO 0.05 0.22 0.01 0.77 0.00 0.00 0.00 178.15 179.20 1s63 h SER 245 N 0.21 0.05 0.47 1.72 4.64 -1.28 0.45 113.55 119.81 1s63 h SER 245 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1s63 h SER 245 Cb 0.28 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1s63 h SER 245 CO 0.00 0.06 -0.55 0.59 -0.87 0.00 0.00 176.83 176.06 1s63 n ASN 246 N -4.50 0.55 0.00 4.97 4.13 -1.06 -4.15 115.26 115.19 1s63 n ASN 246 Ca -0.02 -0.30 0.00 0.00 1.68 0.00 0.00 54.58 55.94 1s63 n ASN 246 Cb 0.11 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1s63 n ASN 246 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1s63 n THR 247 N -1.53 0.00 0.09 3.41 -2.24 -0.70 -4.89 114.28 108.42 1s63 n THR 247 Ca 0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 1s63 n THR 247 Cb 0.34 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1s63 n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s63 h THR 248 N 0.00 1.49 0.00 4.28 1.35 -1.77 -3.50 112.91 114.76 1s63 h THR 248 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 1s63 h THR 248 Cb 0.00 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1s63 h THR 248 CO 0.00 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1s63 n GLY 249 N 1.14 -1.09 0.54 5.82 0.00 0.15 -4.64 105.19 107.11 1s63 n GLY 249 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.46 1s63 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s63 n TYR 250 N -1.03 0.10 0.21 1.61 4.02 -1.26 -4.50 117.16 116.30 1s63 n TYR 250 Ca 0.00 -0.09 0.09 0.00 -0.01 0.00 0.00 57.90 57.89 1s63 n TYR 250 Cb 0.00 -0.00 0.33 0.00 -0.02 0.00 0.00 39.34 39.65 1s63 n TYR 250 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1s63 h ASN 251 N 2.41 0.00 -2.77 7.72 2.35 -1.99 -3.40 115.58 119.91 1s63 h ASN 251 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1s63 h ASN 251 Cb 0.56 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1s63 h ASN 251 CO 0.00 0.25 1.19 -0.62 -1.65 0.00 0.00 177.43 176.60 1s63 s ASP 252 N -6.23 6.14 0.52 5.81 -1.08 -1.26 -4.86 116.67 115.72 1s63 s ASP 252 Ca 0.02 1.40 0.20 0.00 -0.52 0.00 0.00 52.55 53.64 1s63 s ASP 252 Cb 0.09 -2.53 1.32 0.00 -1.46 0.00 0.00 42.92 40.34 1s63 s ASP 252 CO 0.66 -1.49 2.09 0.03 0.52 0.00 0.00 175.17 176.99 1s63 h ARG 253 N 11.75 0.00 -0.41 4.34 3.08 -1.97 -0.57 114.38 130.60 1s63 h ARG 253 Ca -0.33 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.59 1s63 h ARG 253 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1s63 h ARG 253 CO 1.02 0.00 -0.25 0.00 -1.07 0.00 0.00 179.97 179.67 1s63 h ALA 254 N 1.90 0.58 -0.22 0.04 0.00 -1.94 -0.81 119.26 118.81 1s63 h ALA 254 Ca 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1s63 h ALA 254 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s63 h ALA 254 CO -0.00 0.59 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1s63 h VAL 255 N 0.71 1.25 -0.70 0.00 2.07 -1.52 -1.64 116.25 116.42 1s63 h VAL 255 Ca 0.08 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1s63 h VAL 255 Cb 0.83 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1s63 h VAL 255 CO 0.07 0.26 0.46 0.25 0.02 0.00 0.00 177.57 178.63 1s63 h LEU 256 N 0.15 0.77 -0.49 2.57 5.85 -1.12 -0.31 115.31 122.73 1s63 h LEU 256 Ca 0.06 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1s63 h LEU 256 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1s63 h LEU 256 CO 0.01 0.55 0.19 -0.08 -0.34 0.00 0.00 178.44 178.77 1s63 h GLU 257 N 0.91 0.73 -0.65 1.25 4.57 -1.06 0.19 114.58 120.52 1s63 h GLU 257 Ca 0.27 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1s63 h GLU 257 Cb -0.06 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 1s63 h GLU 257 CO -0.08 0.66 0.39 -0.09 -1.18 0.00 0.00 179.01 178.71 1s63 h ARG 258 N 0.65 0.73 -0.46 1.92 2.43 -0.74 -0.08 114.38 118.83 1s63 h ARG 258 Ca 0.16 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1s63 h ARG 258 Cb 0.20 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1s63 h ARG 258 CO -0.01 0.49 -0.13 0.93 -1.51 0.00 0.00 179.97 179.73 1s63 h GLU 259 N 0.76 0.90 -0.41 0.20 4.39 -0.46 -1.00 114.58 118.95 1s63 h GLU 259 Ca 0.27 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1s63 h GLU 259 Cb 0.07 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1s63 h GLU 259 CO -0.13 1.00 0.02 0.28 -1.16 0.00 0.00 179.01 179.03 1s63 h VAL 260 N 0.74 1.25 -0.05 3.13 2.07 -0.30 -1.18 116.25 121.92 1s63 h VAL 260 Ca 0.11 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1s63 h VAL 260 Cb 0.68 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1s63 h VAL 260 CO 0.05 0.33 0.03 1.56 0.02 0.00 0.00 177.57 179.56 1s63 h GLN 261 N 0.55 0.07 -0.36 1.57 1.08 -0.94 -0.35 115.11 116.73 1s63 h GLN 261 Ca 0.12 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1s63 h GLN 261 Cb 0.44 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 1s63 h GLN 261 CO 0.02 0.11 0.05 -0.92 -0.95 0.00 0.00 178.83 177.14 1s63 h TYR 262 N 0.01 0.08 -0.59 2.96 3.20 -1.09 -0.19 116.97 121.35 1s63 h TYR 262 Ca 0.02 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1s63 h TYR 262 Cb 0.06 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1s63 h TYR 262 CO -0.05 -0.01 0.11 1.15 -1.64 0.00 0.00 178.16 177.72 1s63 h THR 263 N 0.17 1.26 -0.51 1.81 2.02 -1.02 -1.31 112.91 115.32 1s63 h THR 263 Ca 0.17 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1s63 h THR 263 Cb 0.21 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1s63 h THR 263 CO -0.24 0.36 0.14 -0.07 0.37 0.00 0.00 175.52 176.07 1s63 h LEU 264 N 0.87 0.70 -0.47 2.58 3.38 -0.73 -0.38 115.31 121.27 1s63 h LEU 264 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1s63 h LEU 264 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1s63 h LEU 264 CO 0.01 0.68 0.15 -0.08 0.09 0.00 0.00 178.44 179.30 1s63 h GLU 265 N 0.74 0.73 -0.69 1.13 4.57 -0.55 -1.35 114.58 119.15 1s63 h GLU 265 Ca 0.17 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1s63 h GLU 265 Cb 0.25 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1s63 h GLU 265 CO -0.01 0.69 0.21 0.52 -1.18 0.00 0.00 179.01 179.24 1s63 h MET 266 N 0.63 1.07 -0.78 1.92 2.86 -0.56 -1.98 114.93 118.09 1s63 h MET 266 Ca 0.15 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1s63 h MET 266 Cb 0.26 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1s63 h MET 266 CO -0.01 0.92 0.32 0.82 1.06 0.00 0.00 176.91 180.02 1s63 h ILE 267 N 1.03 1.26 -0.32 -1.22 2.04 -0.77 -0.64 117.51 118.88 1s63 h ILE 267 Ca 0.22 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1s63 h ILE 267 Cb 0.30 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1s63 h ILE 267 CO -0.01 0.33 -0.14 0.11 0.00 0.00 0.00 178.15 178.45 1s63 h LYS 268 N 1.13 0.56 -0.27 2.37 1.57 -0.89 0.14 116.57 121.18 1s63 h LYS 268 Ca 0.26 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1s63 h LYS 268 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1s63 h LYS 268 CO -0.02 0.69 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.25 1s63 h LEU 269 N 0.51 0.67 -6.42 2.94 4.07 -0.85 -3.38 115.31 112.86 1s63 h LEU 269 Ca 0.09 -0.45 -0.59 0.00 0.08 0.00 0.00 57.88 57.00 1s63 h LEU 269 Cb 0.54 -0.19 -0.39 0.00 1.08 0.00 0.00 40.66 41.70 1s63 h LEU 269 CO 0.03 0.99 -0.92 0.52 -1.08 0.00 0.00 178.44 177.98 1s63 n VAL 270 N -4.34 -0.62 0.01 1.22 0.31 -0.29 -5.02 118.33 109.59 1s63 n VAL 270 Ca -0.04 -3.77 0.23 0.00 -0.01 0.00 0.00 64.34 60.75 1s63 n VAL 270 Cb 0.43 -1.78 0.72 0.00 -0.91 0.00 0.00 33.84 32.30 1s63 n VAL 270 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1s63 h PRO 271 N 5.34 0.00 -0.69 5.55 0.11 -0.91 -1.72 132.00 139.68 1s63 h PRO 271 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1s63 h PRO 271 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1s63 h PRO 271 CO 0.45 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.96 1s63 n HIS 272 N -3.89 1.22 -2.76 0.65 8.25 -1.26 -4.87 115.22 112.56 1s63 n HIS 272 Ca 0.11 -0.54 -0.43 0.00 -0.26 0.00 0.00 57.72 56.61 1s63 n HIS 272 Cb 0.74 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 1s63 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1s63 s ASN 273 N -0.94 6.41 0.43 0.41 2.47 -0.65 -4.92 114.94 118.15 1s63 s ASN 273 Ca 0.49 -0.10 0.11 0.00 0.42 0.00 0.00 52.86 53.79 1s63 s ASN 273 Cb 0.29 -2.48 0.92 0.00 -1.45 0.00 0.00 41.25 38.54 1s63 s ASN 273 CO 0.29 -1.26 1.99 -0.08 -3.72 0.00 0.00 177.10 174.32 1s63 h GLU 274 N 9.32 0.19 -0.50 0.43 4.81 -1.89 -3.19 114.58 123.76 1s63 h GLU 274 Ca -0.25 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1s63 h GLU 274 Cb 1.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 1s63 h GLU 274 CO 1.10 0.27 0.23 0.77 -0.73 0.00 0.00 179.01 180.65 1s63 h SER 275 N 0.19 0.30 -0.52 1.04 0.02 -1.91 -0.65 113.55 112.02 1s63 h SER 275 Ca 0.04 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1s63 h SER 275 Cb 0.23 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1s63 h SER 275 CO 0.01 0.21 0.29 0.00 -1.14 0.00 0.00 176.83 176.20 1s63 h ALA 276 N 1.29 0.67 -0.75 3.77 0.00 -1.85 -0.26 119.26 122.13 1s63 h ALA 276 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s63 h ALA 276 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1s63 h ALA 276 CO -0.18 0.19 0.48 -1.49 0.00 0.00 0.00 179.25 178.24 1s63 h TRP 277 N 0.70 0.96 -0.25 0.00 4.06 -1.53 -1.02 115.95 118.87 1s63 h TRP 277 Ca 0.18 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 61.05 1s63 h TRP 277 Cb 0.05 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.88 1s63 h TRP 277 CO -0.02 0.62 -0.26 -0.91 -3.56 0.00 0.00 178.44 174.32 1s63 h ASN 278 N 1.02 0.48 -0.30 -3.49 2.35 -0.64 -2.32 115.58 112.67 1s63 h ASN 278 Ca 0.27 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1s63 h ASN 278 Cb -0.08 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1s63 h ASN 278 CO -0.06 0.73 -0.54 0.22 -1.65 0.00 0.00 177.43 176.14 1s63 h TYR 279 N 0.42 1.12 -0.28 1.19 3.20 -0.70 0.57 116.97 122.49 1s63 h TYR 279 Ca 0.06 -0.40 0.02 0.00 3.14 0.00 0.00 58.73 61.56 1s63 h TYR 279 Cb 0.67 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1s63 h TYR 279 CO 0.02 1.23 0.13 1.25 -1.64 0.00 0.00 178.16 179.15 1s63 h LEU 280 N 0.69 0.18 -0.53 2.82 5.85 -0.99 -1.02 115.31 122.30 1s63 h LEU 280 Ca 0.02 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1s63 h LEU 280 Cb 1.15 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1s63 h LEU 280 CO 0.12 0.14 -0.09 0.50 -0.34 0.00 0.00 178.44 178.77 1s63 h LYS 281 N 0.27 1.00 -0.96 1.25 3.64 -1.33 -3.08 116.57 117.36 1s63 h LYS 281 Ca 0.12 -0.37 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1s63 h LYS 281 Cb 0.05 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 1s63 h LYS 281 CO -0.09 1.05 0.61 0.78 -2.27 0.00 0.00 179.45 179.52 1s63 h GLY 282 N 0.87 1.49 1.70 5.01 0.00 -0.35 0.33 103.07 112.12 1s63 h GLY 282 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1s63 h GLY 282 CO 0.05 0.28 -0.11 0.29 0.00 0.00 0.00 176.54 177.04 1s63 n ILE 283 N -4.56 0.00 0.01 2.60 -5.35 -0.43 -3.96 119.36 107.66 1s63 n ILE 283 Ca 0.15 -0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.65 1s63 n ILE 283 Cb 0.22 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 37.76 1s63 n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s63 n LEU 284 N -1.45 0.01 -0.19 7.28 4.77 -0.89 -4.79 117.00 121.74 1s63 n LEU 284 Ca 0.08 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1s63 n LEU 284 Cb 0.33 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.72 1s63 n LEU 284 CO 0.28 0.00 1.22 0.06 -1.33 0.00 0.00 177.39 177.63 1s63 h GLN 285 N 0.00 0.85 -0.35 3.23 3.07 -0.49 -2.14 115.11 119.28 1s63 h GLN 285 Ca 0.00 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.58 1s63 h GLN 285 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 1s63 h GLN 285 CO 0.00 0.56 -0.22 -0.44 0.09 0.00 0.00 178.83 178.82 1s63 h ASP 286 N 0.87 0.70 1.00 0.06 3.32 -1.84 -2.57 116.42 117.96 1s63 h ASP 286 Ca 0.29 -0.24 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1s63 h ASP 286 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1s63 h ASP 286 CO -0.08 0.91 -0.81 0.03 -1.72 0.00 0.00 179.24 177.57 1s63 h ARG 287 N 0.61 0.00 0.00 3.56 2.47 -1.87 -3.49 114.38 115.66 1s63 h ARG 287 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1s63 h ARG 287 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1s63 h ARG 287 CO 0.05 0.81 0.00 0.41 0.56 0.00 0.00 179.97 181.80 1s63 n GLY 288 N 1.05 3.02 0.30 0.04 0.00 -0.82 -4.79 105.19 103.99 1s63 n GLY 288 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1s63 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s63 h LEU 289 N 0.00 0.00 -0.10 0.99 3.38 -1.78 -1.42 115.31 116.37 1s63 h LEU 289 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s63 h LEU 289 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s63 h LEU 289 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1s63 n SER 290 N -4.47 0.15 0.00 -0.43 3.41 -1.26 -2.87 113.62 108.14 1s63 n SER 290 Ca 0.01 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1s63 n SER 290 Cb 0.25 -0.56 0.65 0.00 -0.26 0.00 0.00 64.21 64.29 1s63 n SER 290 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s63 n LYS 291 N -1.66 0.36 -3.57 4.33 4.76 -0.54 -4.17 118.16 117.68 1s63 n LYS 291 Ca 0.04 0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 1s63 n LYS 291 Cb 0.24 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 1s63 n LYS 291 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1s63 n TYR 292 N -1.29 3.51 -0.28 2.13 4.02 -1.14 -4.96 117.16 119.16 1s63 n TYR 292 Ca 0.12 -4.09 0.15 0.00 -0.01 0.00 0.00 57.90 54.06 1s63 n TYR 292 Cb 0.21 -0.70 0.41 0.00 -0.02 0.00 0.00 39.34 39.24 1s63 n TYR 292 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1s63 h PRO 293 N 4.86 0.59 -0.01 -0.72 0.13 -1.85 -1.61 132.00 133.39 1s63 h PRO 293 Ca 0.18 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1s63 h PRO 293 Cb 0.70 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1s63 h PRO 293 CO 0.84 0.39 -0.37 -0.91 -0.23 0.00 0.00 178.00 177.72 1s63 h ASN 294 N 0.61 0.03 -0.50 1.44 2.35 -1.96 -2.96 115.58 114.58 1s63 h ASN 294 Ca 0.48 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 1s63 h ASN 294 Cb 0.91 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1s63 h ASN 294 CO -0.23 0.40 0.29 0.25 -1.65 0.00 0.00 177.43 176.49 1s63 h LEU 295 N 0.02 0.61 -0.37 1.61 5.85 -1.69 -1.05 115.31 120.30 1s63 h LEU 295 Ca -0.00 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1s63 h LEU 295 Cb 0.67 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1s63 h LEU 295 CO 0.05 0.51 0.11 0.25 -0.34 0.00 0.00 178.44 179.02 1s63 h LEU 296 N 0.67 0.10 -0.28 2.25 5.85 -1.56 -0.49 115.31 121.84 1s63 h LEU 296 Ca 0.18 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1s63 h LEU 296 Cb 0.02 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1s63 h LEU 296 CO -0.03 0.09 0.15 0.78 -0.34 0.00 0.00 178.44 179.09 1s63 h ASN 297 N 0.26 0.35 -0.55 1.25 2.35 -1.46 0.67 115.58 118.45 1s63 h ASN 297 Ca 0.17 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1s63 h ASN 297 Cb 0.17 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1s63 h ASN 297 CO -0.19 0.33 0.34 1.56 -1.65 0.00 0.00 177.43 177.82 1s63 h GLN 298 N 0.34 0.67 -0.44 0.81 4.20 -0.78 -1.14 115.11 118.77 1s63 h GLN 298 Ca 0.10 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1s63 h GLN 298 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1s63 h GLN 298 CO -0.02 0.44 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.38 1s63 h LEU 299 N 0.69 0.83 -0.96 1.46 3.38 -0.85 -2.59 115.31 117.27 1s63 h LEU 299 Ca 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s63 h LEU 299 Cb -0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1s63 h LEU 299 CO -0.08 0.98 0.59 -0.07 0.09 0.00 0.00 178.44 179.95 1s63 h LEU 300 N 0.74 1.14 -0.68 1.67 4.07 -0.34 -0.97 115.31 120.94 1s63 h LEU 300 Ca 0.12 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1s63 h LEU 300 Cb 0.65 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1s63 h LEU 300 CO 0.05 0.86 0.15 0.44 -1.08 0.00 0.00 178.44 178.86 1s63 h ASP 301 N 1.32 1.04 0.78 -0.43 3.32 -0.98 -2.78 116.42 118.70 1s63 h ASP 301 Ca 0.35 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1s63 h ASP 301 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1s63 h ASP 301 CO -0.07 1.02 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.16 1s63 h LEU 302 N 1.02 0.00 -0.22 1.55 -0.00 -1.03 -3.37 115.31 113.26 1s63 h LEU 302 Ca 0.21 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.14 1s63 h LEU 302 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.98 1s63 h LEU 302 CO 0.01 0.24 -0.47 -0.61 -0.00 0.00 0.00 178.44 177.60 1s63 h GLN 303 N 0.00 -0.46 -0.70 1.13 4.15 -0.90 0.31 115.11 118.64 1s63 h GLN 303 Ca -0.00 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.57 1s63 h GLN 303 Cb 0.70 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.41 1s63 h GLN 303 CO 0.03 -0.31 0.27 -1.00 -1.93 0.00 0.00 178.83 175.90 1s63 h PRO 304 N -0.48 0.43 0.00 -2.39 0.13 -1.75 0.20 132.00 128.14 1s63 h PRO 304 Ca 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1s63 h PRO 304 Cb 0.63 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1s63 h PRO 304 CO -0.47 0.28 -0.37 -1.13 -0.23 0.00 0.00 178.00 176.08 1s63 n SER 305 N -4.99 0.45 -2.73 1.44 3.41 -1.03 -4.35 113.62 105.81 1s63 n SER 305 Ca 0.12 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1s63 n SER 305 Cb 0.35 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1s63 n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s63 n HIS 306 N -1.70 1.05 -0.73 7.33 8.25 0.10 -5.02 115.22 124.51 1s63 n HIS 306 Ca 0.05 -2.01 -0.40 0.00 -0.26 0.00 0.00 57.72 55.11 1s63 n HIS 306 Cb 0.37 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 1s63 n HIS 306 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1s63 n SER 307 N -0.55 1.73 -4.90 0.41 7.64 0.64 -4.75 113.62 113.83 1s63 n SER 307 Ca 0.06 -2.52 -0.28 0.00 1.01 0.00 0.00 58.87 57.14 1s63 n SER 307 Cb 0.83 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1s63 n SER 307 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1s63 s SER 308 N 5.87 6.26 0.57 6.43 1.04 -1.26 -4.92 113.70 127.69 1s63 s SER 308 Ca 0.58 1.02 0.30 0.00 0.48 0.00 0.00 55.95 58.32 1s63 s SER 308 Cb 0.13 -2.29 1.70 0.00 0.10 0.00 0.00 66.02 65.67 1s63 s SER 308 CO 0.21 -0.62 2.18 1.55 0.98 0.00 0.00 173.24 177.54 1s63 h PRO 309 N 0.16 0.00 -0.27 4.02 0.13 -1.91 -1.89 132.00 132.25 1s63 h PRO 309 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1s63 h PRO 309 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1s63 h PRO 309 CO 0.62 0.05 -0.10 1.88 -0.23 0.00 0.00 178.00 180.22 1s63 h TYR 310 N 0.00 0.61 -0.14 1.56 -1.99 -1.92 0.36 116.97 115.45 1s63 h TYR 310 Ca -0.00 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 1s63 h TYR 310 Cb 0.15 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1s63 h TYR 310 CO 0.00 0.77 0.00 1.25 -0.00 0.00 0.00 178.16 180.18 1s63 h LEU 311 N 0.28 0.24 -0.71 3.88 5.85 -1.74 -0.80 115.31 122.31 1s63 h LEU 311 Ca 0.06 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1s63 h LEU 311 Cb 0.59 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1s63 h LEU 311 CO 0.03 0.49 0.47 0.40 -0.34 0.00 0.00 178.44 179.49 1s63 h ILE 312 N -0.01 1.18 -0.64 4.05 1.08 -1.33 -0.81 117.51 121.02 1s63 h ILE 312 Ca 0.04 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1s63 h ILE 312 Cb 0.36 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1s63 h ILE 312 CO 0.01 0.18 0.15 0.00 -0.69 0.00 0.00 178.15 177.79 1s63 h ALA 313 N 1.26 0.85 -0.83 1.87 0.00 -0.85 -2.16 119.26 119.40 1s63 h ALA 313 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s63 h ALA 313 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1s63 h ALA 313 CO -0.06 0.57 0.43 0.35 0.00 0.00 0.00 179.25 180.54 1s63 h PHE 314 N 0.96 1.15 -0.72 0.00 3.57 -0.51 -0.76 116.94 120.64 1s63 h PHE 314 Ca 0.20 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1s63 h PHE 314 Cb 0.37 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1s63 h PHE 314 CO 0.03 0.81 0.38 -0.07 -2.23 0.00 0.00 178.31 177.23 1s63 h LEU 315 N 1.16 0.91 -0.61 0.59 3.38 -0.74 -0.65 115.31 119.35 1s63 h LEU 315 Ca 0.29 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1s63 h LEU 315 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1s63 h LEU 315 CO -0.04 0.75 0.26 0.58 0.09 0.00 0.00 178.44 180.08 1s63 h VAL 316 N 0.99 1.23 -0.81 1.22 2.07 -0.76 0.22 116.25 120.41 1s63 h VAL 316 Ca 0.25 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1s63 h VAL 316 Cb 0.06 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1s63 h VAL 316 CO -0.04 0.27 0.51 0.44 0.02 0.00 0.00 177.57 178.77 1s63 h ASP 317 N 0.84 0.83 -0.15 0.57 3.32 -0.62 0.24 116.42 121.46 1s63 h ASP 317 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1s63 h ASP 317 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1s63 h ASP 317 CO -0.02 0.56 0.05 0.40 -1.72 0.00 0.00 179.24 178.51 1s63 h ILE 318 N 0.98 1.18 -0.94 0.35 2.04 -0.51 -2.52 117.51 118.08 1s63 h ILE 318 Ca 0.33 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1s63 h ILE 318 Cb 0.05 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1s63 h ILE 318 CO -0.13 0.16 0.62 1.88 0.00 0.00 0.00 178.15 180.69 1s63 h TYR 319 N 0.07 1.19 -0.21 1.37 0.99 -0.24 -0.39 116.97 119.74 1s63 h TYR 319 Ca 0.05 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.84 1s63 h TYR 319 Cb 0.21 -0.40 -0.04 0.00 1.00 0.00 0.00 36.73 37.51 1s63 h TYR 319 CO -0.00 0.75 -0.02 0.93 -0.00 0.00 0.00 178.16 179.82 1s63 h GLU 320 N 1.28 0.05 -0.46 4.88 5.08 -0.37 -1.36 114.58 123.67 1s63 h GLU 320 Ca 0.34 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1s63 h GLU 320 Cb -0.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1s63 h GLU 320 CO -0.07 0.03 -0.09 0.22 -1.00 0.00 0.00 179.01 178.10 1s63 h ASP 321 N 0.05 0.81 -0.22 1.42 3.58 -0.97 -2.24 116.42 118.85 1s63 h ASP 321 Ca 0.10 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.33 1s63 h ASP 321 Cb 0.14 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1s63 h ASP 321 CO -0.18 0.93 0.10 0.24 -2.88 0.00 0.00 179.24 177.45 1s63 h MET 322 N 0.74 0.22 -0.00 0.28 2.86 -0.67 -1.57 114.93 116.79 1s63 h MET 322 Ca 0.13 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1s63 h MET 322 Cb 0.58 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1s63 h MET 322 CO 0.04 0.14 -0.18 -0.07 1.06 0.00 0.00 176.91 177.90 1s63 h LEU 323 N 0.23 0.00 -0.73 1.22 3.38 -1.14 -1.31 115.31 116.95 1s63 h LEU 323 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1s63 h LEU 323 Cb 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s63 h LEU 323 CO -0.07 0.19 -0.03 -0.08 0.09 0.00 0.00 178.44 178.54 1s63 h GLU 324 N 0.00 0.00 -0.74 1.13 4.57 -0.73 -3.31 114.58 115.50 1s63 h GLU 324 Ca -0.00 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.67 1s63 h GLU 324 Cb 0.33 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 28.61 1s63 h GLU 324 CO 0.02 0.03 -0.10 0.09 -1.18 0.00 0.00 179.01 177.87 1s63 n ASN 325 N -3.11 5.20 -3.95 1.04 3.02 -0.52 -4.97 115.26 111.97 1s63 n ASN 325 Ca 0.02 -3.77 -0.31 0.00 -0.03 0.00 0.00 54.58 50.49 1s63 n ASN 325 Cb 0.43 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1s63 n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s63 n GLN 326 N -0.88 -1.91 -1.38 3.52 1.13 -1.21 -4.93 117.38 111.72 1s63 n GLN 326 Ca 0.48 0.32 -0.31 0.00 -1.94 0.00 0.00 57.00 55.55 1s63 n GLN 326 Cb 0.90 -3.96 0.09 0.00 0.11 0.00 0.00 30.24 27.39 1s63 n GLN 326 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s63 s ASP 328 N -3.60 6.75 -0.67 0.00 3.68 -1.26 -4.03 116.67 117.54 1s63 s ASP 328 Ca 0.61 1.35 -0.04 0.00 2.13 0.00 0.00 52.55 56.60 1s63 s ASP 328 Cb -0.16 -2.40 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 1s63 s ASP 328 CO 0.56 -0.30 0.58 0.59 0.13 0.00 0.00 175.17 176.73 1s63 n ASN 329 N -0.68 -3.94 -0.13 -0.34 3.02 -1.26 -4.88 115.26 107.05 1s63 n ASN 329 Ca 0.04 -0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.24 1s63 n ASN 329 Cb 0.54 -2.76 -0.02 0.00 -0.61 0.00 0.00 39.78 36.92 1s63 n ASN 329 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1s63 h LYS 330 N -1.30 -0.25 -0.98 3.52 1.63 -1.99 -1.09 116.57 116.11 1s63 h LYS 330 Ca -0.28 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.59 1s63 h LYS 330 Cb 1.18 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.81 1s63 h LYS 330 CO 0.28 -0.17 0.63 0.93 -3.45 0.00 0.00 179.45 177.67 1s63 h GLU 331 N -0.26 1.11 -0.20 1.90 4.39 -1.92 0.45 114.58 120.05 1s63 h GLU 331 Ca 0.17 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1s63 h GLU 331 Cb 0.55 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1s63 h GLU 331 CO -0.57 0.73 0.01 0.22 -1.16 0.00 0.00 179.01 178.25 1s63 h ASP 332 N 1.14 0.33 -0.53 1.42 3.58 -1.70 -0.92 116.42 119.75 1s63 h ASP 332 Ca 0.42 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1s63 h ASP 332 Cb 0.16 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1s63 h ASP 332 CO -0.16 0.54 0.12 0.40 -2.88 0.00 0.00 179.24 177.26 1s63 h ILE 333 N 0.12 1.25 -0.45 2.25 1.08 -0.91 -1.41 117.51 119.44 1s63 h ILE 333 Ca 0.06 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1s63 h ILE 333 Cb 0.36 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1s63 h ILE 333 CO 0.01 0.32 0.24 0.25 -0.69 0.00 0.00 178.15 178.28 1s63 h LEU 334 N 0.75 0.57 -0.72 1.44 5.85 -0.85 0.42 115.31 122.77 1s63 h LEU 334 Ca 0.17 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s63 h LEU 334 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1s63 h LEU 334 CO 0.00 0.51 0.43 0.78 -0.34 0.00 0.00 178.44 179.82 1s63 h ASN 335 N 0.59 0.86 -0.57 1.25 2.35 -0.93 -0.42 115.58 118.71 1s63 h ASN 335 Ca 0.16 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1s63 h ASN 335 Cb 0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1s63 h ASN 335 CO -0.02 0.67 0.21 0.11 -1.65 0.00 0.00 177.43 176.75 1s63 h LYS 336 N 0.98 0.86 -0.32 0.81 1.57 -0.84 -1.28 116.57 118.35 1s63 h LYS 336 Ca 0.26 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1s63 h LYS 336 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1s63 h LYS 336 CO -0.05 0.75 0.09 0.00 -0.57 0.00 0.00 179.45 179.68 1s63 h ALA 337 N 1.07 0.42 -0.59 3.86 0.00 -0.56 -1.76 119.26 121.69 1s63 h ALA 337 Ca 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1s63 h ALA 337 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s63 h ALA 337 CO -0.01 0.07 0.13 -0.07 0.00 0.00 0.00 179.25 179.37 1s63 h LEU 338 N 0.36 0.87 -0.44 0.00 3.38 -0.96 -0.45 115.31 118.08 1s63 h LEU 338 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1s63 h LEU 338 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1s63 h LEU 338 CO -0.00 0.86 0.23 -0.33 0.09 0.00 0.00 178.44 179.28 1s63 h GLU 339 N 0.89 0.61 -0.57 1.13 5.08 -1.01 -1.84 114.58 118.87 1s63 h GLU 339 Ca 0.19 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1s63 h GLU 339 Cb 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1s63 h GLU 339 CO 0.00 0.50 0.17 -0.07 -1.00 0.00 0.00 179.01 178.61 1s63 h LEU 340 N 0.57 0.84 -0.95 1.33 3.38 -0.93 -1.18 115.31 118.37 1s63 h LEU 340 Ca 0.15 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1s63 h LEU 340 Cb 0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1s63 h LEU 340 CO -0.02 0.83 0.61 0.00 0.09 0.00 0.00 178.44 179.95 1s63 h GLU 342 N 1.14 0.53 -0.70 0.00 4.22 -1.03 -0.10 114.58 118.65 1s63 h GLU 342 Ca 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 1s63 h GLU 342 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1s63 h GLU 342 CO -0.15 0.61 0.40 0.82 -2.18 0.00 0.00 179.01 178.51 1s63 h ILE 343 N 0.37 1.21 -0.32 2.32 2.04 -0.67 -0.08 117.51 122.38 1s63 h ILE 343 Ca 0.10 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1s63 h ILE 343 Cb 0.32 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1s63 h ILE 343 CO 0.00 0.22 -0.03 -0.07 0.00 0.00 0.00 178.15 178.28 1s63 h LEU 344 N 0.96 0.57 -0.62 1.44 3.38 -0.79 0.14 115.31 120.40 1s63 h LEU 344 Ca 0.25 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1s63 h LEU 344 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1s63 h LEU 344 CO -0.04 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.22 1s63 h ALA 345 N 0.83 0.83 0.00 1.53 0.00 -0.77 0.19 119.26 121.87 1s63 h ALA 345 Ca 0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.37 1s63 h ALA 345 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1s63 h ALA 345 CO 0.02 0.67 -1.87 1.17 0.00 0.00 0.00 179.25 179.24 1s63 n LYS 346 N -4.17 0.65 0.06 0.00 3.00 -0.07 -4.16 118.16 113.47 1s63 n LYS 346 Ca 0.03 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1s63 n LYS 346 Cb 0.36 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.67 1s63 n LYS 346 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1s63 n GLU 347 N -2.96 0.00 0.17 1.64 2.13 0.34 -4.85 120.64 117.10 1s63 n GLU 347 Ca -0.21 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.67 1s63 n GLU 347 Cb 1.07 -0.28 0.08 0.00 0.27 0.00 0.00 31.44 32.58 1s63 n GLU 347 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1s63 h LYS 348 N 0.00 0.00 -0.40 5.31 1.79 -1.22 -3.40 116.57 118.65 1s63 h LYS 348 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1s63 h LYS 348 Cb 0.23 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.66 1s63 h LYS 348 CO 0.00 0.31 -0.62 -3.47 -1.08 0.00 0.00 179.45 174.59 1s63 n ASP 349 N -3.17 -1.14 0.28 0.86 2.03 0.64 -4.60 116.55 111.44 1s63 n ASP 349 Ca 0.03 -2.93 0.15 0.00 0.52 0.00 0.00 54.79 52.56 1s63 n ASP 349 Cb 0.66 0.83 0.89 0.00 -0.72 0.00 0.00 41.12 42.78 1s63 n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1s63 h THR 350 N 2.34 0.54 0.00 5.18 1.35 -1.67 -0.41 112.91 120.24 1s63 h THR 350 Ca -0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1s63 h THR 350 Cb 1.18 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1s63 h THR 350 CO 0.15 0.00 -0.05 -0.29 -0.25 0.00 0.00 175.52 175.08 1s63 h ILE 351 N 0.00 0.50 -0.54 6.82 6.09 -1.88 -1.47 117.51 127.03 1s63 h ILE 351 Ca 0.01 -0.22 -0.22 0.00 -1.37 0.00 0.00 64.86 63.07 1s63 h ILE 351 Cb 0.07 1.14 -0.13 0.00 0.47 0.00 0.00 36.82 38.37 1s63 h ILE 351 CO -0.00 0.05 0.15 0.54 -3.07 0.00 0.00 178.15 175.82 1s63 n ARG 352 N -3.70 2.54 -0.35 2.19 1.74 -0.17 -4.69 116.66 114.22 1s63 n ARG 352 Ca -0.02 -3.07 0.04 0.00 -0.77 0.00 0.00 57.85 54.03 1s63 n ARG 352 Cb 0.15 -1.98 0.21 0.00 -1.02 0.00 0.00 32.46 29.81 1s63 n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1s63 h LYS 353 N 1.52 1.07 -0.70 5.56 2.10 -1.29 0.00 116.57 124.83 1s63 h LYS 353 Ca 0.27 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 1s63 h LYS 353 Cb 1.99 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 33.05 1s63 h LYS 353 CO 0.57 0.71 0.20 0.93 -2.00 0.00 0.00 179.45 179.85 1s63 h GLU 354 N 1.10 1.10 -0.18 0.07 4.39 -1.84 -0.58 114.58 118.64 1s63 h GLU 354 Ca 0.44 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1s63 h GLU 354 Cb 0.26 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1s63 h GLU 354 CO -0.19 0.95 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.67 1s63 h TYR 355 N 1.05 0.37 -0.45 4.33 3.20 -1.56 -1.95 116.97 121.96 1s63 h TYR 355 Ca 0.23 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1s63 h TYR 355 Cb 0.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1s63 h TYR 355 CO 0.03 0.57 0.05 -1.49 -1.64 0.00 0.00 178.16 175.68 1s63 h TRP 356 N 0.06 0.74 -0.33 -3.82 4.06 -0.85 -0.13 115.95 115.67 1s63 h TRP 356 Ca 0.05 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.81 1s63 h TRP 356 Cb 0.44 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1s63 h TRP 356 CO 0.05 0.67 -0.23 0.00 -3.56 0.00 0.00 178.44 175.36 1s63 h ARG 357 N 0.68 0.65 -0.39 0.49 3.08 -1.09 -0.84 114.38 116.95 1s63 h ARG 357 Ca 0.14 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1s63 h ARG 357 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1s63 h ARG 357 CO 0.01 0.83 0.00 -0.92 -1.07 0.00 0.00 179.97 178.82 1s63 h TYR 358 N 0.57 0.75 -0.90 3.04 3.20 -0.51 -1.53 116.97 121.58 1s63 h TYR 358 Ca 0.08 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1s63 h TYR 358 Cb 0.70 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 1s63 h TYR 358 CO 0.03 0.77 0.59 0.82 -1.64 0.00 0.00 178.16 178.73 1s63 h ILE 359 N 0.52 1.19 -0.34 1.81 1.08 -0.77 0.11 117.51 121.11 1s63 h ILE 359 Ca 0.11 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1s63 h ILE 359 Cb 0.47 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1s63 h ILE 359 CO 0.02 0.22 0.20 1.23 -0.69 0.00 0.00 178.15 179.12 1s63 h GLY 360 N 1.18 0.49 1.37 5.37 0.00 -0.82 -0.59 103.07 110.08 1s63 h GLY 360 Ca 0.34 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1s63 h GLY 360 CO -0.09 0.21 -0.07 3.21 0.00 0.00 0.00 176.54 179.79 1s63 h ARG 361 N 0.43 0.75 -0.11 4.80 3.08 -0.75 -2.61 114.38 119.98 1s63 h ARG 361 Ca 0.12 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1s63 h ARG 361 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1s63 h ARG 361 CO -0.02 0.81 0.05 0.77 -1.07 0.00 0.00 179.97 180.51 1s63 h SER 362 N 0.69 0.15 -0.83 7.04 0.02 -0.37 -0.85 113.55 119.39 1s63 h SER 362 Ca 0.12 -0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1s63 h SER 362 Cb 0.53 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 1s63 h SER 362 CO 0.03 0.24 0.46 -0.07 -1.14 0.00 0.00 176.83 176.36 1s63 h LEU 363 N 0.04 0.63 -0.69 5.07 3.38 -1.05 -1.10 115.31 121.59 1s63 h LEU 363 Ca 0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1s63 h LEU 363 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1s63 h LEU 363 CO -0.00 0.33 -0.55 1.56 0.09 0.00 0.00 178.44 179.86 1s63 h GLN 364 N 0.73 0.30 0.00 1.13 4.20 -1.09 -0.60 115.11 119.79 1s63 h GLN 364 Ca 0.42 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 1s63 h GLN 364 Cb 0.47 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1s63 h GLN 364 CO -0.29 0.77 -0.35 0.66 -0.67 0.00 0.00 178.83 178.96 1s63 h SER 365 N 0.23 0.00 0.15 1.46 4.64 -0.33 -3.12 113.55 116.58 1s63 h SER 365 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1s63 h SER 365 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1s63 h SER 365 CO 0.09 0.35 -2.06 0.29 -0.87 0.00 0.00 176.83 174.63 1s63 n LYS 366 N -3.51 0.67 -0.31 4.77 5.02 -0.50 -4.77 118.16 119.53 1s63 n LYS 366 Ca -0.00 -0.02 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1s63 n LYS 366 Cb 0.49 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1s63 n LYS 366 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s63 n HIS 367 N -2.63 0.00 -0.01 2.13 8.25 -0.25 -4.88 115.22 117.83 1s63 n HIS 367 Ca -0.19 -0.27 -0.07 0.00 -0.26 0.00 0.00 57.72 56.93 1s63 n HIS 367 Cb 0.91 -0.07 0.10 0.00 1.12 0.00 0.00 29.99 32.05 1s63 n HIS 367 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1s63 h SER 368 N 0.00 0.62 0.00 0.41 0.02 -1.72 -3.48 113.55 109.40 1s63 h SER 368 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1s63 h SER 368 Cb 1.20 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1s63 h SER 368 CO 0.00 0.94 0.00 0.41 -1.14 0.00 0.00 176.83 177.04