#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvy s PRO 68 N 0.00 1.54 0.06 5.55 0.02 -1.26 -4.94 135.00 135.97 1qvy s PRO 68 Ca 0.00 1.42 -0.24 0.00 0.02 0.00 0.00 61.00 62.20 1qvy s PRO 68 Cb 0.00 -1.80 -0.17 0.00 0.02 0.00 0.00 34.50 32.56 1qvy s PRO 68 CO 0.00 -2.22 1.59 -0.97 -0.33 0.00 0.00 177.00 175.07 1qvy h ASN 69 N -1.51 -0.07 -3.53 2.53 -1.24 -1.98 -3.40 115.58 106.38 1qvy h ASN 69 Ca -0.43 -0.12 -0.63 0.00 0.71 0.00 0.00 56.30 55.83 1qvy h ASN 69 Cb 1.26 0.02 -0.17 0.00 0.73 0.00 0.00 38.32 40.16 1qvy h ASN 69 CO 0.46 0.08 -0.55 -0.69 -1.29 0.00 0.00 177.43 175.43 1qvy s VAL 70 N -5.64 4.96 -0.14 2.57 1.01 -1.26 -0.45 120.40 121.44 1qvy s VAL 70 Ca -0.14 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1qvy s VAL 70 Cb 0.05 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1qvy s VAL 70 CO 0.65 0.37 -0.09 -0.69 0.00 0.00 0.00 175.10 175.35 1qvy s VAL 71 N 1.01 1.22 -0.11 2.92 1.01 -0.71 -4.99 120.40 120.75 1qvy s VAL 71 Ca 0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 1qvy s VAL 71 Cb -0.14 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1qvy s VAL 71 CO 0.04 0.30 0.82 -0.69 0.00 0.00 0.00 175.10 175.57 1qvy s VAL 72 N 1.61 4.92 -0.12 2.92 1.01 -1.26 -0.13 120.40 129.36 1qvy s VAL 72 Ca 0.03 1.65 0.11 0.00 0.00 0.00 0.00 61.98 63.77 1qvy s VAL 72 Cb -0.14 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 31.95 1qvy s VAL 72 CO -0.09 0.11 0.06 0.35 0.00 0.00 0.00 175.10 175.53 1qvy n THR 73 N 4.34 0.79 -3.48 3.92 -2.24 0.19 -4.39 114.28 113.41 1qvy n THR 73 Ca 0.03 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1qvy n THR 73 Cb 0.50 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1qvy n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qvy s GLY 74 N -4.45 -0.54 -0.06 3.38 0.00 -1.04 -1.30 107.32 103.31 1qvy s GLY 74 Ca -0.06 1.00 0.05 0.00 0.00 0.00 0.00 44.72 45.71 1qvy s GLY 74 CO 0.51 0.51 -0.24 -2.27 0.00 0.00 0.00 173.10 171.62 1qvy s LEU 75 N -2.08 2.04 -0.07 0.66 0.20 -0.79 -0.94 118.68 117.70 1qvy s LEU 75 Ca -0.02 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.35 1qvy s LEU 75 Cb -0.01 -1.32 0.00 0.00 -0.43 0.00 0.00 46.19 44.44 1qvy s LEU 75 CO -0.04 0.22 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.16 1qvy s THR 76 N -0.04 1.60 -0.56 3.68 2.01 0.26 -0.56 115.64 122.03 1qvy s THR 76 Ca -0.06 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 1qvy s THR 76 Cb -0.14 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.04 1qvy s THR 76 CO 0.04 0.46 0.80 -0.22 -0.69 0.00 0.00 174.62 175.01 1qvy s LEU 77 N 0.28 4.62 -0.29 4.42 0.20 -0.23 -0.71 118.68 126.97 1qvy s LEU 77 Ca -0.11 -0.81 -0.24 0.00 0.69 0.00 0.00 54.13 53.67 1qvy s LEU 77 Cb -0.15 -2.55 -0.00 0.00 -0.43 0.00 0.00 46.19 43.06 1qvy s LEU 77 CO 0.05 -1.13 0.79 -0.69 -0.29 0.00 0.00 176.35 175.08 1qvy s VAL 78 N 3.34 4.80 -0.25 1.68 1.01 -0.04 -4.34 120.40 126.61 1qvy s VAL 78 Ca 0.21 1.25 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 1qvy s VAL 78 Cb -0.17 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.21 1qvy s VAL 78 CO 0.13 -0.21 0.41 0.00 0.00 0.00 0.00 175.10 175.43 1qvy h SER 80 N 8.16 0.00 -0.01 0.00 4.64 -1.95 -2.51 113.55 121.88 1qvy h SER 80 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1qvy h SER 80 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1qvy h SER 80 CO 0.25 0.13 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.75 1qvy n SER 81 N -3.42 2.20 -4.77 4.97 3.41 -1.26 -4.94 113.62 109.81 1qvy n SER 81 Ca -0.01 -1.69 -0.38 0.00 -0.26 0.00 0.00 58.87 56.53 1qvy n SER 81 Cb 0.30 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1qvy n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvy s ALA 82 N -2.07 3.13 -0.90 7.33 0.00 -0.95 -4.94 121.76 123.36 1qvy s ALA 82 Ca 0.31 1.03 0.26 0.00 0.00 0.00 0.00 51.96 53.56 1qvy s ALA 82 Cb 0.20 -3.41 1.04 0.00 0.00 0.00 0.00 23.12 20.95 1qvy s ALA 82 CO 0.35 -0.64 1.82 -0.35 0.00 0.00 0.00 175.76 176.94 1qvy n PRO 83 N -0.07 0.08 -3.75 0.00 -0.04 -1.26 -4.88 135.00 125.08 1qvy n PRO 83 Ca 0.05 0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1qvy n PRO 83 Cb 0.46 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1qvy n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1qvy s GLY 84 N -3.18 -0.14 0.54 0.55 0.00 -1.26 -5.16 107.32 98.67 1qvy s GLY 84 Ca 0.12 -0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.45 1qvy s GLY 84 CO 0.51 -0.13 1.24 2.56 0.00 0.00 0.00 173.10 177.27 1qvy s PRO 85 N -3.88 3.23 -0.42 2.90 0.04 -1.26 -5.00 135.00 130.61 1qvy s PRO 85 Ca 0.10 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1qvy s PRO 85 Cb -0.03 -2.15 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1qvy s PRO 85 CO 0.01 -1.02 0.18 -0.51 0.04 0.00 0.00 177.00 175.69 1qvy s LEU 86 N -3.64 3.62 -0.03 -3.56 1.43 -1.26 -5.09 118.68 110.15 1qvy s LEU 86 Ca 0.72 -2.49 0.03 0.00 -1.03 0.00 0.00 54.13 51.37 1qvy s LEU 86 Cb -0.33 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1qvy s LEU 86 CO 0.37 -0.31 -0.13 -1.61 0.23 0.00 0.00 176.35 174.91 1qvy s GLU 87 N 0.47 1.30 -0.13 1.70 0.41 -1.26 -1.06 118.70 120.13 1qvy s GLU 87 Ca 0.15 -0.45 -0.01 0.00 -0.41 0.00 0.00 54.97 54.24 1qvy s GLU 87 Cb -0.23 -1.18 -0.02 0.00 -1.78 0.00 0.00 34.13 30.93 1qvy s GLU 87 CO -0.06 0.19 -0.09 -0.51 -0.49 0.00 0.00 175.26 174.30 1qvy s LEU 88 N 0.06 2.95 -0.51 1.80 1.43 0.28 -5.01 118.68 119.68 1qvy s LEU 88 Ca -0.02 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 1qvy s LEU 88 Cb -0.09 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1qvy s LEU 88 CO 0.01 0.19 0.93 -0.62 0.23 0.00 0.00 176.35 177.09 1qvy s ASP 89 N 0.23 6.40 0.00 2.29 -1.08 -1.26 -1.88 116.67 121.37 1qvy s ASP 89 Ca -0.06 -0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.02 1qvy s ASP 89 Cb -0.15 -2.44 0.83 0.00 -1.46 0.00 0.00 42.92 39.70 1qvy s ASP 89 CO 0.04 -1.15 1.59 0.18 0.52 0.00 0.00 175.17 176.35 1qvy n LEU 90 N 7.34 1.30 -0.08 -1.34 4.77 -0.42 -1.87 117.00 126.69 1qvy n LEU 90 Ca 0.04 -0.54 0.13 0.00 -0.03 0.00 0.00 56.01 55.60 1qvy n LEU 90 Cb 0.48 -0.08 0.33 0.00 -2.33 0.00 0.00 43.42 41.82 1qvy n LEU 90 CO 0.64 0.27 0.57 0.35 -1.33 0.00 0.00 177.39 177.89 1qvy n THR 91 N 0.08 0.00 -0.56 -5.08 -2.24 -1.24 -4.81 114.28 100.43 1qvy n THR 91 Ca 0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1qvy n THR 91 Cb 0.27 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1qvy n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qvy n GLY 92 N 1.44 0.42 3.57 3.38 0.00 -0.78 -4.98 105.19 108.23 1qvy n GLY 92 Ca 0.08 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1qvy n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qvy s ASP 93 N -1.00 6.16 0.32 1.61 2.15 -1.26 -4.88 116.67 119.76 1qvy s ASP 93 Ca 0.00 0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.12 1qvy s ASP 93 Cb 0.00 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.60 1qvy s ASP 93 CO 0.00 -1.73 1.72 -0.07 -0.17 0.00 0.00 175.17 174.92 1qvy h LEU 94 N 13.01 0.08 -1.36 -1.34 3.38 -1.92 -3.06 115.31 124.10 1qvy h LEU 94 Ca -0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1qvy h LEU 94 Cb 1.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1qvy h LEU 94 CO 1.21 0.53 0.23 -0.33 0.09 0.00 0.00 178.44 180.17 1qvy h GLU 95 N 0.06 0.67 0.00 1.13 4.39 -1.93 -2.55 114.58 116.35 1qvy h GLU 95 Ca 0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1qvy h GLU 95 Cb 0.83 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1qvy h GLU 95 CO 0.06 0.52 -0.08 0.66 -1.16 0.00 0.00 179.01 179.01 1qvy h SER 96 N 0.67 0.00 0.72 1.42 4.64 -1.93 -2.36 113.55 116.71 1qvy h SER 96 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1qvy h SER 96 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1qvy h SER 96 CO -0.02 0.08 0.00 -0.26 -0.87 0.00 0.00 176.83 175.76 1qvy h PHE 97 N 0.00 0.00 0.00 4.77 0.04 -1.61 -2.83 116.94 117.30 1qvy h PHE 97 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1qvy h PHE 97 Cb 0.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1qvy h PHE 97 CO 0.00 0.00 -0.07 0.87 -0.60 0.00 0.00 178.31 178.51 1qvy h LYS 98 N 0.00 0.00 0.00 1.51 1.57 -1.55 -2.49 116.57 115.61 1qvy h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qvy h LYS 98 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1qvy h LYS 98 CO 0.00 0.07 -0.74 1.63 -0.57 0.00 0.00 179.45 179.84 1qvy n LYS 99 N -3.40 1.91 -2.58 3.15 4.76 -1.07 -4.91 118.16 116.02 1qvy n LYS 99 Ca -0.01 -0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.18 1qvy n LYS 99 Cb 0.23 -1.23 0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1qvy n LYS 99 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1qvy s GLN 100 N -2.46 2.79 -0.05 1.97 -0.21 -0.94 -5.12 119.66 115.65 1qvy s GLN 100 Ca 0.06 -0.32 -0.24 0.00 0.02 0.00 0.00 55.36 54.87 1qvy s GLN 100 Cb 0.12 -2.38 0.05 0.00 1.00 0.00 0.00 33.01 31.80 1qvy s GLN 100 CO 0.63 -0.66 0.53 0.45 -2.12 0.00 0.00 175.29 174.12 1qvy s SER 101 N -4.33 -0.48 -0.14 5.90 0.15 -1.26 -4.18 113.70 109.36 1qvy s SER 101 Ca 0.54 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.48 1qvy s SER 101 Cb -0.10 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1qvy s SER 101 CO 0.42 -0.52 0.60 -0.36 1.20 0.00 0.00 173.24 174.57 1qvy s PHE 102 N -1.15 3.47 -0.02 3.44 0.08 -0.81 -4.89 117.98 118.09 1qvy s PHE 102 Ca -0.11 1.00 -0.30 0.00 0.12 0.00 0.00 56.93 57.63 1qvy s PHE 102 Cb -0.02 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1qvy s PHE 102 CO 0.07 0.00 1.03 0.08 -0.10 0.00 0.00 175.22 176.30 1qvy s VAL 103 N 1.21 4.70 -0.09 -0.44 1.01 -1.26 -0.46 120.40 125.06 1qvy s VAL 103 Ca 0.30 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.24 1qvy s VAL 103 Cb -0.16 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1qvy s VAL 103 CO 0.12 0.11 -0.11 -0.22 0.00 0.00 0.00 175.10 175.00 1qvy s LEU 104 N 1.29 1.51 0.25 3.92 0.20 -0.07 -4.92 118.68 120.87 1qvy s LEU 104 Ca 0.52 -0.33 -0.30 0.00 0.69 0.00 0.00 54.13 54.72 1qvy s LEU 104 Cb -0.22 -0.89 -0.10 0.00 -0.43 0.00 0.00 46.19 44.56 1qvy s LEU 104 CO 0.26 -0.02 1.38 -0.75 -0.29 0.00 0.00 176.35 176.93 1qvy s LYS 105 N 1.08 4.31 0.46 1.98 2.20 -1.26 -1.63 119.74 126.88 1qvy s LYS 105 Ca -0.06 2.23 -0.25 0.00 -0.36 0.00 0.00 55.97 57.53 1qvy s LYS 105 Cb -0.14 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1qvy s LYS 105 CO -0.01 -0.33 1.41 -1.83 -0.36 0.00 0.00 175.35 174.22 1qvy s GLU 106 N -0.61 3.62 0.00 4.03 -1.05 0.06 -2.77 118.70 121.98 1qvy s GLU 106 Ca 0.57 2.37 0.00 0.00 -0.15 0.00 0.00 54.97 57.75 1qvy s GLU 106 Cb -0.40 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1qvy s GLU 106 CO 0.44 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.21 1qvy n GLY 107 N 0.61 2.66 3.80 -3.83 0.00 -0.73 -4.95 105.19 102.75 1qvy n GLY 107 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1qvy n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qvy s VAL 108 N -3.14 4.16 0.26 1.61 -7.23 -1.12 -4.36 120.40 110.58 1qvy s VAL 108 Ca 0.00 1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 61.32 1qvy s VAL 108 Cb 0.00 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.20 1qvy s VAL 108 CO 0.00 -0.19 1.27 -1.61 -0.31 0.00 0.00 175.10 174.26 1qvy s GLU 109 N -2.93 4.42 0.25 4.82 2.02 -1.26 -0.86 118.70 125.16 1qvy s GLU 109 Ca 0.61 2.07 -0.17 0.00 0.02 0.00 0.00 54.97 57.50 1qvy s GLU 109 Cb -0.14 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.96 1qvy s GLU 109 CO 0.18 -0.15 0.58 1.52 0.02 0.00 0.00 175.26 177.41 1qvy s TYR 110 N -0.56 0.04 0.15 1.61 1.13 -0.11 -4.47 117.35 115.14 1qvy s TYR 110 Ca 0.52 -0.43 -0.07 0.00 -1.41 0.00 0.00 57.07 55.67 1qvy s TYR 110 Cb -0.37 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1qvy s TYR 110 CO 0.44 -1.06 0.23 1.03 -2.51 0.00 0.00 175.55 173.68 1qvy s ARG 111 N -3.95 1.08 -0.12 -3.49 0.52 -0.36 -1.34 118.95 111.30 1qvy s ARG 111 Ca 0.15 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1qvy s ARG 111 Cb -0.03 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 1qvy s ARG 111 CO 0.05 -0.38 -0.06 0.42 0.02 0.00 0.00 175.30 175.35 1qvy s ILE 112 N -3.97 3.71 -0.17 1.52 -1.09 -1.26 -0.86 121.20 119.08 1qvy s ILE 112 Ca 0.17 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1qvy s ILE 112 Cb 0.04 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1qvy s ILE 112 CO -0.01 0.53 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.37 1qvy s LYS 113 N -0.03 3.30 -0.23 2.79 2.20 0.11 -1.15 119.74 126.73 1qvy s LYS 113 Ca 0.00 -0.70 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1qvy s LYS 113 Cb -0.13 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1qvy s LYS 113 CO 0.03 -0.01 0.04 0.42 -0.36 0.00 0.00 175.35 175.47 1qvy s ILE 114 N 0.91 4.15 -0.10 5.43 -1.09 0.46 -0.57 121.20 130.38 1qvy s ILE 114 Ca -0.03 -0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1qvy s ILE 114 Cb -0.15 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1qvy s ILE 114 CO -0.01 0.38 0.20 -0.44 -1.23 0.00 0.00 174.94 173.84 1qvy s SER 115 N 1.36 6.46 0.09 3.58 0.01 -0.12 -0.81 113.70 124.28 1qvy s SER 115 Ca 0.05 0.55 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 1qvy s SER 115 Cb -0.15 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.03 1qvy s SER 115 CO 0.02 0.36 0.59 0.72 0.41 0.00 0.00 173.24 175.34 1qvy s PHE 116 N -0.85 -0.52 0.04 2.43 -0.71 -0.73 -0.64 117.98 117.01 1qvy s PHE 116 Ca 0.16 0.51 0.05 0.00 -1.04 0.00 0.00 56.93 56.61 1qvy s PHE 116 Cb -0.13 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1qvy s PHE 116 CO 0.05 -0.75 -0.08 1.03 -1.34 0.00 0.00 175.22 174.14 1qvy s ARG 117 N -2.92 2.41 -0.29 1.99 0.52 0.81 -0.28 118.95 121.19 1qvy s ARG 117 Ca -0.03 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 1qvy s ARG 117 Cb -0.01 -2.43 0.07 0.00 0.52 0.00 0.00 34.95 33.10 1qvy s ARG 117 CO -0.06 0.57 -0.04 0.08 0.02 0.00 0.00 175.30 175.87 1qvy s VAL 118 N -1.09 2.38 -0.02 3.52 1.01 -1.26 -1.74 120.40 123.20 1qvy s VAL 118 Ca 0.19 -1.77 0.06 0.00 0.00 0.00 0.00 61.98 60.46 1qvy s VAL 118 Cb -0.11 -2.49 -0.24 0.00 0.00 0.00 0.00 36.38 33.54 1qvy s VAL 118 CO 0.10 -0.20 0.75 0.78 0.00 0.00 0.00 175.10 176.54 1qvy h ASN 119 N 7.78 0.14 0.00 3.32 2.35 -1.03 -1.74 115.58 126.40 1qvy h ASN 119 Ca -0.16 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1qvy h ASN 119 Cb 1.04 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1qvy h ASN 119 CO 0.50 1.21 -0.15 0.54 -1.65 0.00 0.00 177.43 177.88 1qvy n ARG 120 N -3.23 0.30 -3.73 0.81 1.74 -1.26 -4.65 116.66 106.63 1qvy n ARG 120 Ca -0.16 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.78 1qvy n ARG 120 Cb 1.03 -0.57 -0.09 0.00 -1.02 0.00 0.00 32.46 31.81 1qvy n ARG 120 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1qvy s GLU 121 N -1.15 0.58 0.26 5.56 -1.05 -1.26 -4.85 118.70 116.78 1qvy s GLU 121 Ca 0.00 0.23 -0.30 0.00 -0.15 0.00 0.00 54.97 54.75 1qvy s GLU 121 Cb 0.00 0.27 -0.14 0.00 -0.44 0.00 0.00 34.13 33.82 1qvy s GLU 121 CO 0.00 -0.12 1.11 1.51 0.95 0.00 0.00 175.26 178.70 1qvy n ILE 122 N 2.09 1.59 -4.43 1.83 3.06 -1.26 -4.52 119.36 117.73 1qvy n ILE 122 Ca -0.17 -0.40 -0.26 0.00 -2.50 0.00 0.00 62.75 59.42 1qvy n ILE 122 Cb 0.57 -1.04 -0.11 0.00 0.54 0.00 0.00 39.64 39.60 1qvy n ILE 122 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1qvy s VAL 123 N -0.72 2.33 0.07 9.51 -7.23 -0.79 -5.02 120.40 118.55 1qvy s VAL 123 Ca 0.63 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1qvy s VAL 123 Cb -0.73 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1qvy s VAL 123 CO 0.57 -0.19 0.03 -0.55 -0.31 0.00 0.00 175.10 174.65 1qvy s SER 124 N -2.83 0.39 -1.27 4.85 0.15 -1.26 -2.11 113.70 111.63 1qvy s SER 124 Ca 0.22 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1qvy s SER 124 Cb -0.07 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1qvy s SER 124 CO 0.11 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1qvy n GLY 125 N 0.04 0.80 3.80 9.45 0.00 -0.96 -4.76 105.19 113.56 1qvy n GLY 125 Ca -0.13 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1qvy n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qvy s MET 126 N -3.67 3.43 0.11 1.61 -1.94 -0.28 -1.81 119.30 116.75 1qvy s MET 126 Ca 0.00 1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 55.12 1qvy s MET 126 Cb 0.00 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.81 1qvy s MET 126 CO 0.00 -0.73 0.27 -1.59 -0.01 0.00 0.00 175.02 172.97 1qvy s LYS 127 N -3.85 0.94 -0.11 2.03 -2.85 -0.25 -1.10 119.74 114.57 1qvy s LYS 127 Ca 0.65 -0.87 0.03 0.00 -1.00 0.00 0.00 55.97 54.77 1qvy s LYS 127 Cb -0.16 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1qvy s LYS 127 CO 0.33 -0.33 -0.20 -0.47 0.10 0.00 0.00 175.35 174.78 1qvy s TYR 128 N -3.84 2.28 -0.06 1.78 5.04 -0.04 -0.75 117.35 121.76 1qvy s TYR 128 Ca 0.05 -1.02 0.06 0.00 -2.44 0.00 0.00 57.07 53.71 1qvy s TYR 128 Cb 0.04 -1.57 -0.01 0.00 0.35 0.00 0.00 41.96 40.76 1qvy s TYR 128 CO -0.11 -0.47 -0.24 0.42 -1.34 0.00 0.00 175.55 173.81 1qvy s ILE 129 N 0.68 2.01 -0.14 3.14 1.01 0.19 -0.41 121.20 127.68 1qvy s ILE 129 Ca -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.51 1qvy s ILE 129 Cb -0.16 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1qvy s ILE 129 CO 0.03 0.56 -0.19 -1.10 0.00 0.00 0.00 174.94 174.24 1qvy s GLN 130 N -0.15 2.67 -0.23 2.79 -0.21 -0.62 -1.14 119.66 122.77 1qvy s GLN 130 Ca -0.04 -0.72 -0.07 0.00 0.02 0.00 0.00 55.36 54.56 1qvy s GLN 130 Cb -0.14 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 1qvy s GLN 130 CO 0.04 -0.09 0.05 -1.01 -2.12 0.00 0.00 175.29 172.16 1qvy s HIS 131 N 1.02 3.08 -0.14 0.91 3.76 -0.21 -1.58 115.29 122.14 1qvy s HIS 131 Ca -0.04 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1qvy s HIS 131 Cb -0.15 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 1qvy s HIS 131 CO -0.05 -0.29 0.06 0.99 -0.85 0.00 0.00 174.74 174.60 1qvy s THR 132 N 1.36 4.78 0.10 1.30 2.01 -0.00 -0.69 115.64 124.49 1qvy s THR 132 Ca 0.05 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1qvy s THR 132 Cb -0.15 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1qvy s THR 132 CO 0.03 0.54 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.97 1qvy s TYR 133 N -0.28 1.79 -0.08 4.92 1.51 0.55 -0.17 117.35 125.60 1qvy s TYR 133 Ca 0.08 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1qvy s TYR 133 Cb -0.12 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1qvy s TYR 133 CO 0.02 0.21 -0.07 1.03 -1.11 0.00 0.00 175.55 175.63 1qvy s ARG 134 N -1.94 1.25 -1.61 -0.62 1.81 -0.43 -0.97 118.95 116.44 1qvy s ARG 134 Ca 0.07 -0.20 -0.12 0.00 -1.72 0.00 0.00 55.73 53.76 1qvy s ARG 134 Cb -0.10 -1.27 0.10 0.00 -0.45 0.00 0.00 34.95 33.24 1qvy s ARG 134 CO 0.04 -0.16 0.62 1.63 -0.68 0.00 0.00 175.30 176.75 1qvy n LYS 135 N 4.51 -2.97 -0.28 3.54 5.02 -1.26 -2.25 118.16 124.46 1qvy n LYS 135 Ca -0.17 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1qvy n LYS 135 Cb 0.51 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1qvy n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qvy n GLY 136 N -1.65 1.14 3.38 0.72 0.00 -1.26 -5.02 105.19 102.50 1qvy n GLY 136 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1qvy n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qvy s VAL 137 N -2.81 2.46 0.07 1.61 -7.23 -0.96 -5.06 120.40 108.48 1qvy s VAL 137 Ca 0.00 -0.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.87 1qvy s VAL 137 Cb 0.00 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.96 1qvy s VAL 137 CO 0.00 0.56 1.42 -0.75 -0.31 0.00 0.00 175.10 176.01 1qvy s LYS 138 N -0.74 4.30 -0.00 4.82 2.20 -1.26 -1.31 119.74 127.73 1qvy s LYS 138 Ca 0.11 2.05 0.11 0.00 -0.36 0.00 0.00 55.97 57.88 1qvy s LYS 138 Cb -0.10 -3.41 -0.13 0.00 -1.51 0.00 0.00 37.83 32.68 1qvy s LYS 138 CO 0.00 -0.52 0.38 0.44 -0.36 0.00 0.00 175.35 175.29 1qvy n ILE 139 N 4.29 0.00 -3.64 5.43 -5.35 0.76 -4.92 119.36 115.92 1qvy n ILE 139 Ca 0.12 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 1qvy n ILE 139 Cb 0.43 0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 39.00 1qvy n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1qvy s ASP 140 N -2.41 -0.60 -0.10 7.28 -1.08 -0.96 -4.99 116.67 113.80 1qvy s ASP 140 Ca 0.01 1.03 0.02 0.00 -0.52 0.00 0.00 52.55 53.10 1qvy s ASP 140 Cb 0.08 1.02 0.01 0.00 -1.46 0.00 0.00 42.92 42.57 1qvy s ASP 140 CO 0.44 -0.31 -0.17 -0.54 0.52 0.00 0.00 175.17 175.11 1qvy s LYS 141 N -0.12 2.36 -0.04 4.34 1.02 -1.26 -0.82 119.74 125.22 1qvy s LYS 141 Ca -0.03 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.34 1qvy s LYS 141 Cb -0.03 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1qvy s LYS 141 CO 0.03 0.02 -0.02 0.99 -0.92 0.00 0.00 175.35 175.45 1qvy s THR 142 N 0.75 0.37 -0.08 2.17 2.01 -0.61 -5.04 115.64 115.21 1qvy s THR 142 Ca -0.11 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1qvy s THR 142 Cb -0.16 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1qvy s THR 142 CO 0.02 0.19 -0.02 -1.81 -0.69 0.00 0.00 174.62 172.31 1qvy s ASP 143 N 1.07 5.04 -0.15 3.53 1.11 -1.26 -1.59 116.67 124.41 1qvy s ASP 143 Ca -0.09 0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.73 1qvy s ASP 143 Cb -0.14 -1.37 0.03 0.00 1.07 0.00 0.00 42.92 42.52 1qvy s ASP 143 CO -0.01 0.37 -0.10 -0.31 1.18 0.00 0.00 175.17 176.30 1qvy s TYR 144 N -0.87 1.94 0.32 4.23 2.02 0.45 -5.00 117.35 120.45 1qvy s TYR 144 Ca 0.13 -1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 55.41 1qvy s TYR 144 Cb -0.11 -1.46 -0.10 0.00 -0.40 0.00 0.00 41.96 39.89 1qvy s TYR 144 CO 0.02 -0.63 1.39 1.41 -1.57 0.00 0.00 175.55 176.16 1qvy s MET 145 N 1.56 4.28 -0.07 -0.62 -2.45 -1.26 -0.86 119.30 119.87 1qvy s MET 145 Ca 0.03 2.32 -0.02 0.00 -1.25 0.00 0.00 55.69 56.77 1qvy s MET 145 Cb -0.14 -3.06 -0.04 0.00 1.25 0.00 0.00 34.83 32.84 1qvy s MET 145 CO -0.09 -0.33 -0.08 0.28 1.05 0.00 0.00 175.02 175.85 1qvy n VAL 146 N 1.19 0.40 0.00 10.11 0.31 -0.26 -4.85 118.33 125.23 1qvy n VAL 146 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1qvy n VAL 146 Cb 0.41 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1qvy n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qvy n GLY 147 N 2.79 0.86 3.21 2.92 0.00 -0.38 -4.87 105.19 109.73 1qvy n GLY 147 Ca -0.14 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 1qvy n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qvy s SER 148 N -4.00 2.40 -0.01 1.61 0.15 -1.26 -1.12 113.70 111.46 1qvy s SER 148 Ca 0.00 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1qvy s SER 148 Cb 0.00 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1qvy s SER 148 CO 0.00 0.24 0.02 -0.31 1.20 0.00 0.00 173.24 174.40 1qvy s TYR 149 N -0.44 -0.01 0.54 3.44 2.02 -0.90 -5.00 117.35 117.00 1qvy s TYR 149 Ca 0.07 0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1qvy s TYR 149 Cb -0.08 -0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.45 1qvy s TYR 149 CO -0.00 -0.03 0.81 0.20 -1.57 0.00 0.00 175.55 174.95 1qvy s GLY 150 N 0.25 1.63 0.34 0.71 0.00 -1.26 -1.89 107.32 107.10 1qvy s GLY 150 Ca -0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 1qvy s GLY 150 CO -0.01 -0.68 1.20 2.56 0.00 0.00 0.00 173.10 176.17 1qvy s PRO 151 N -4.82 4.31 0.15 2.90 0.04 -1.26 -4.74 135.00 131.59 1qvy s PRO 151 Ca 0.53 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 1qvy s PRO 151 Cb -0.10 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.55 1qvy s PRO 151 CO 0.42 -0.14 0.76 -0.98 0.04 0.00 0.00 177.00 177.10 1qvy s ARG 152 N -1.90 1.28 0.15 4.56 1.70 -0.65 -4.99 118.95 119.10 1qvy s ARG 152 Ca 0.51 -0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 55.07 1qvy s ARG 152 Cb -0.34 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 1qvy s ARG 152 CO 0.44 -0.58 1.50 0.00 -1.08 0.00 0.00 175.30 175.59 1qvy h ALA 153 N 2.00 0.60 -2.71 7.88 0.00 -1.93 -3.42 119.26 121.68 1qvy h ALA 153 Ca -0.26 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 53.71 1qvy h ALA 153 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1qvy h ALA 153 CO 0.30 0.65 0.26 -2.00 0.00 0.00 0.00 179.25 178.46 1qvy s GLU 154 N -4.51 4.68 0.47 0.00 2.12 -1.26 -5.04 118.70 115.16 1qvy s GLU 154 Ca -0.11 1.30 -0.23 0.00 0.36 0.00 0.00 54.97 56.29 1qvy s GLU 154 Cb 0.11 -3.29 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1qvy s GLU 154 CO 0.87 0.48 0.96 0.39 -0.54 0.00 0.00 175.26 177.43 1qvy n GLU 155 N 1.83 1.20 -3.55 4.30 1.02 -1.26 -4.85 120.64 119.33 1qvy n GLU 155 Ca -0.03 0.44 -0.24 0.00 -0.02 0.00 0.00 57.16 57.31 1qvy n GLU 155 Cb 0.48 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 1qvy n GLU 155 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qvy s TYR 156 N -1.36 3.49 -0.09 -0.32 2.02 0.62 -4.94 117.35 116.77 1qvy s TYR 156 Ca 0.66 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.66 1qvy s TYR 156 Cb -0.52 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 1qvy s TYR 156 CO 0.55 0.23 -0.12 -1.21 -1.57 0.00 0.00 175.55 173.44 1qvy s GLU 157 N -4.04 1.75 -0.20 -0.62 2.02 -1.26 -1.77 118.70 114.57 1qvy s GLU 157 Ca 0.39 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.91 1qvy s GLU 157 Cb -0.10 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 1qvy s GLU 157 CO 0.33 -0.07 0.05 0.12 0.02 0.00 0.00 175.26 175.71 1qvy s PHE 158 N 1.00 3.14 -0.10 1.61 5.36 0.01 -4.95 117.98 124.06 1qvy s PHE 158 Ca -0.08 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1qvy s PHE 158 Cb -0.15 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1qvy s PHE 158 CO -0.01 -0.09 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.09 1qvy s LEU 159 N 0.87 3.15 0.73 6.12 1.43 -1.26 -0.41 118.68 129.33 1qvy s LEU 159 Ca 0.03 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1qvy s LEU 159 Cb -0.14 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1qvy s LEU 159 CO 0.02 0.29 1.08 0.42 0.23 0.00 0.00 176.35 178.39 1qvy s THR 160 N -0.34 3.62 0.58 5.49 -4.23 -0.30 -4.99 115.64 115.47 1qvy s THR 160 Ca 0.05 0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 1qvy s THR 160 Cb -0.12 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1qvy s THR 160 CO 0.02 -0.69 1.12 -2.84 -0.54 0.00 0.00 174.62 171.70 1qvy s PRO 161 N -5.13 3.18 0.27 3.99 0.02 -1.26 -4.54 135.00 131.53 1qvy s PRO 161 Ca 0.59 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 1qvy s PRO 161 Cb -0.14 -1.99 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 1qvy s PRO 161 CO 0.54 -0.98 1.55 0.28 -0.33 0.00 0.00 177.00 178.06 1qvy n VAL 162 N -1.67 0.95 -4.18 3.83 0.31 -1.26 -4.71 118.33 111.60 1qvy n VAL 162 Ca 0.11 -0.24 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 1qvy n VAL 162 Cb 0.51 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 1qvy n VAL 162 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1qvy s GLU 163 N -0.39 0.87 -0.19 5.55 -1.05 -0.45 -4.96 118.70 118.08 1qvy s GLU 163 Ca 0.66 -1.22 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 1qvy s GLU 163 Cb -0.54 -0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 32.60 1qvy s GLU 163 CO 0.48 0.07 0.19 -1.21 0.95 0.00 0.00 175.26 175.74 1qvy s GLU 164 N -3.05 4.20 0.62 -4.83 2.02 -1.26 -0.94 118.70 115.46 1qvy s GLU 164 Ca 0.08 -0.11 -0.19 0.00 0.02 0.00 0.00 54.97 54.77 1qvy s GLU 164 Cb -0.01 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1qvy s GLU 164 CO -0.01 0.24 1.18 0.00 0.02 0.00 0.00 175.26 176.70 1qvy n ALA 165 N 3.66 0.85 -1.38 5.21 0.00 -0.04 -4.90 120.51 123.90 1qvy n ALA 165 Ca -0.14 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1qvy n ALA 165 Cb 0.52 -2.25 0.13 0.00 0.00 0.00 0.00 19.45 17.85 1qvy n ALA 165 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qvy s PRO 166 N -3.08 1.25 0.00 0.00 0.04 -1.26 -1.78 135.00 130.17 1qvy s PRO 166 Ca 0.79 0.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 1qvy s PRO 166 Cb -0.40 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1qvy s PRO 166 CO 0.44 -2.18 0.10 0.21 0.04 0.00 0.00 177.00 175.61 1qvy s LYS 167 N -5.10 0.40 0.00 4.56 2.20 -1.26 -2.27 119.74 118.27 1qvy s LYS 167 Ca 0.63 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1qvy s LYS 167 Cb -0.16 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1qvy s LYS 167 CO 0.55 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 1qvy n GLY 168 N 1.69 3.14 0.29 5.54 0.00 -1.26 -4.57 105.19 110.03 1qvy n GLY 168 Ca -0.22 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 43.84 1qvy n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qvy h MET 169 N 0.00 -0.05 0.00 1.61 4.05 -2.01 0.12 114.93 118.65 1qvy h MET 169 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1qvy h MET 169 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1qvy h MET 169 CO 0.00 -0.03 0.00 -0.07 0.23 0.00 0.00 176.91 177.04 1qvy h LEU 170 N -0.05 0.00 0.00 3.39 4.07 -2.04 -2.96 115.31 117.72 1qvy h LEU 170 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1qvy h LEU 170 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1qvy h LEU 170 CO -0.71 0.00 -1.36 0.00 -1.08 0.00 0.00 178.44 175.29 1qvy n ALA 171 N -1.80 3.16 -1.41 1.53 0.00 -0.05 -4.99 120.51 116.95 1qvy n ALA 171 Ca 0.03 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1qvy n ALA 171 Cb 0.27 -0.90 0.07 0.00 0.00 0.00 0.00 19.45 18.88 1qvy n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qvy s ARG 172 N -3.32 2.59 0.00 0.00 0.52 -0.73 -4.76 118.95 113.25 1qvy s ARG 172 Ca -0.01 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1qvy s ARG 172 Cb 0.13 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.67 1qvy s ARG 172 CO 0.84 -1.39 0.00 0.41 0.02 0.00 0.00 175.30 175.18 1qvy n GLY 173 N -0.97 -1.19 3.90 -3.53 0.00 0.57 -4.89 105.19 99.08 1qvy n GLY 173 Ca 0.09 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1qvy n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qvy s SER 174 N -4.00 6.46 0.00 1.61 1.04 -1.26 -0.52 113.70 117.03 1qvy s SER 174 Ca 0.00 0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.97 1qvy s SER 174 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1qvy s SER 174 CO 0.00 0.11 -0.11 -0.31 0.98 0.00 0.00 173.24 173.91 1qvy s TYR 175 N -1.57 0.94 0.04 5.02 1.51 0.35 -4.46 117.35 119.18 1qvy s TYR 175 Ca 0.38 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.26 1qvy s TYR 175 Cb -0.13 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1qvy s TYR 175 CO 0.24 -0.01 -0.04 -1.54 -1.11 0.00 0.00 175.55 173.09 1qvy s SER 176 N -0.44 4.79 -0.12 2.29 1.04 -0.15 -1.55 113.70 119.58 1qvy s SER 176 Ca 0.03 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1qvy s SER 176 Cb -0.05 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 64.97 1qvy s SER 176 CO -0.00 0.24 -0.11 -0.63 0.98 0.00 0.00 173.24 173.72 1qvy s ILE 177 N -1.13 1.22 -0.42 -1.02 1.09 0.78 -0.33 121.20 121.39 1qvy s ILE 177 Ca 0.20 -0.43 -0.18 0.00 -1.10 0.00 0.00 60.65 59.14 1qvy s ILE 177 Cb -0.11 -1.18 0.02 0.00 -1.06 0.00 0.00 42.46 40.12 1qvy s ILE 177 CO 0.12 0.40 0.48 -0.54 -0.10 0.00 0.00 174.94 175.29 1qvy s LYS 178 N 1.45 3.18 -0.10 2.79 1.02 0.13 -1.59 119.74 126.62 1qvy s LYS 178 Ca 0.01 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.28 1qvy s LYS 178 Cb -0.13 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.18 1qvy s LYS 178 CO -0.07 -0.86 0.20 -1.12 -0.92 0.00 0.00 175.35 172.58 1qvy s SER 179 N 1.84 6.47 -0.04 2.83 0.01 -0.08 -1.04 113.70 123.69 1qvy s SER 179 Ca 0.15 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1qvy s SER 179 Cb -0.16 -2.11 0.03 0.00 0.21 0.00 0.00 66.02 63.98 1qvy s SER 179 CO 0.15 0.39 -0.01 -0.13 0.41 0.00 0.00 173.24 174.04 1qvy s ARG 180 N -1.00 0.52 -0.31 12.44 0.52 -0.29 -1.33 118.95 129.49 1qvy s ARG 180 Ca 0.17 0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1qvy s ARG 180 Cb -0.13 -0.70 -0.02 0.00 0.52 0.00 0.00 34.95 34.62 1qvy s ARG 180 CO 0.06 -0.16 0.19 0.12 0.02 0.00 0.00 175.30 175.53 1qvy s PHE 181 N 1.23 3.20 0.00 -0.53 2.19 -0.06 -0.64 117.98 123.38 1qvy s PHE 181 Ca -0.07 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1qvy s PHE 181 Cb -0.13 -2.41 0.00 0.00 -1.31 0.00 0.00 43.02 39.17 1qvy s PHE 181 CO -0.02 -0.34 0.00 -2.37 1.83 0.00 0.00 175.22 174.32 1qvy n THR 182 N 5.05 0.00 -3.51 0.12 5.66 0.07 -1.95 114.28 119.72 1qvy n THR 182 Ca -0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1qvy n THR 182 Cb 0.50 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.30 1qvy n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1qvy n ASP 183 N 0.00 -1.27 0.28 1.09 5.68 -1.26 -1.09 116.55 119.99 1qvy n ASP 183 Ca 0.00 -1.84 0.16 0.00 -0.50 0.00 0.00 54.79 52.61 1qvy n ASP 183 Cb 0.00 2.10 0.84 0.00 -1.14 0.00 0.00 41.12 42.92 1qvy n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qvy h ASP 184 N 1.15 0.00 -0.26 -1.12 3.32 -1.65 -0.65 116.42 117.20 1qvy h ASP 184 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1qvy h ASP 184 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1qvy h ASP 184 CO 0.24 0.06 0.00 0.47 -1.72 0.00 0.00 179.24 178.29 1qvy n ASP 185 N -3.45 1.93 -2.55 6.45 8.00 -1.26 -4.95 116.55 120.71 1qvy n ASP 185 Ca -0.02 -1.83 -0.20 0.00 0.71 0.00 0.00 54.79 53.45 1qvy n ASP 185 Cb 0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1qvy n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qvy n LYS 186 N 0.51 -2.45 -1.78 -1.24 5.02 -0.25 -4.95 118.16 113.01 1qvy n LYS 186 Ca 0.15 0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 56.97 1qvy n LYS 186 Cb 0.35 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.69 1qvy n LYS 186 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qvy s THR 187 N -3.03 2.10 -1.21 -0.18 2.01 -1.26 -4.86 115.64 109.21 1qvy s THR 187 Ca 0.07 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.00 1qvy s THR 187 Cb -0.03 -3.05 0.15 0.00 0.01 0.00 0.00 72.50 69.58 1qvy s THR 187 CO 0.09 0.01 1.47 -0.62 -0.69 0.00 0.00 174.62 174.88 1qvy s ASP 188 N 0.64 7.01 0.12 3.53 2.15 -1.26 -4.12 116.67 124.75 1qvy s ASP 188 Ca 0.65 -2.86 -0.19 0.00 0.43 0.00 0.00 52.55 50.58 1qvy s ASP 188 Cb -0.48 -2.43 -0.06 0.00 -0.30 0.00 0.00 42.92 39.65 1qvy s ASP 188 CO 0.44 -0.83 1.76 0.45 -0.17 0.00 0.00 175.17 176.82 1qvy h HIS 189 N 7.31 0.29 -1.70 -5.34 3.86 -1.74 -3.45 115.15 114.39 1qvy h HIS 189 Ca 0.33 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.58 1qvy h HIS 189 Cb 0.88 -0.10 -0.23 0.00 1.06 0.00 0.00 27.41 29.02 1qvy h HIS 189 CO 1.15 0.21 0.40 -1.17 0.86 0.00 0.00 177.93 179.38 1qvy s LEU 190 N -10.12 -0.49 -0.02 2.43 2.96 -1.12 -4.65 118.68 107.66 1qvy s LEU 190 Ca -0.13 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1qvy s LEU 190 Cb 0.08 2.05 -0.01 0.00 0.50 0.00 0.00 46.19 48.81 1qvy s LEU 190 CO 0.70 -0.30 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.79 1qvy s SER 191 N -0.42 2.35 0.18 3.68 0.01 -1.26 -0.88 113.70 117.36 1qvy s SER 191 Ca -0.01 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 1qvy s SER 191 Cb -0.03 -0.33 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1qvy s SER 191 CO -0.00 0.23 0.55 -1.66 0.41 0.00 0.00 173.24 172.77 1qvy s TRP 192 N -0.39 -0.30 -0.03 2.43 -2.14 -0.44 -5.01 118.94 113.06 1qvy s TRP 192 Ca 0.06 -0.00 0.04 0.00 2.66 0.00 0.00 56.10 58.86 1qvy s TRP 192 Cb -0.08 0.46 -0.01 0.00 -3.10 0.00 0.00 33.47 30.74 1qvy s TRP 192 CO -0.00 -0.89 -0.16 -2.00 -2.66 0.00 0.00 176.95 171.24 1qvy s GLU 193 N -3.82 1.58 0.27 3.25 2.12 -1.26 -0.90 118.70 119.94 1qvy s GLU 193 Ca 0.05 -0.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.72 1qvy s GLU 193 Cb -0.01 -1.43 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 1qvy s GLU 193 CO -0.07 0.27 0.44 1.67 -0.54 0.00 0.00 175.26 177.03 1qvy s TRP 194 N -0.09 0.66 0.06 5.30 1.48 -0.62 -3.96 118.94 121.77 1qvy s TRP 194 Ca -0.00 -0.97 0.01 0.00 -1.06 0.00 0.00 56.10 54.07 1qvy s TRP 194 Cb -0.10 0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.21 1qvy s TRP 194 CO 0.01 -1.00 -0.05 -0.80 -4.06 0.00 0.00 176.95 171.05 1qvy s ASN 195 N -3.10 0.71 0.01 -2.66 0.01 -1.26 -0.16 114.94 108.50 1qvy s ASN 195 Ca 0.27 -0.79 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1qvy s ASN 195 Cb 0.00 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.76 1qvy s ASN 195 CO 0.13 -0.41 -0.12 -0.22 -1.51 0.00 0.00 177.10 174.97 1qvy s LEU 196 N -2.34 2.07 -0.20 0.60 0.20 -0.60 -1.93 118.68 116.48 1qvy s LEU 196 Ca -0.00 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.55 1qvy s LEU 196 Cb -0.01 -0.55 0.04 0.00 -0.43 0.00 0.00 46.19 45.24 1qvy s LEU 196 CO -0.04 0.09 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.10 1qvy s THR 197 N -0.46 1.79 -0.09 3.68 2.01 0.39 -0.49 115.64 122.47 1qvy s THR 197 Ca 0.03 -1.06 -0.24 0.00 0.31 0.00 0.00 61.69 60.73 1qvy s THR 197 Cb -0.05 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1qvy s THR 197 CO 0.00 0.23 0.74 -0.63 -0.69 0.00 0.00 174.62 174.26 1qvy s ILE 198 N 1.34 5.00 0.10 1.82 -1.09 0.32 -0.89 121.20 127.82 1qvy s ILE 198 Ca -0.01 1.50 0.03 0.00 -2.23 0.00 0.00 60.65 59.94 1qvy s ILE 198 Cb -0.16 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1qvy s ILE 198 CO -0.09 0.20 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.60 1qvy s ARG 199 N 1.14 0.87 0.51 2.79 1.81 -0.65 -0.31 118.95 125.11 1qvy s ARG 199 Ca 0.38 -1.24 0.18 0.00 -1.72 0.00 0.00 55.73 53.33 1qvy s ARG 199 Cb -0.18 -0.47 1.29 0.00 -0.45 0.00 0.00 34.95 35.13 1qvy s ARG 199 CO 0.17 0.06 2.13 0.00 -0.68 0.00 0.00 175.30 176.98 1qvy h ARG 200 N 3.32 0.00 -4.08 3.54 3.08 -1.96 0.21 114.38 118.50 1qvy h ARG 200 Ca -0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.57 1qvy h ARG 200 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.09 1qvy h ARG 200 CO 0.57 0.05 -0.56 0.34 -1.07 0.00 0.00 179.97 179.30 1qvy s ASP 201 N -6.91 0.34 0.44 7.04 2.15 -1.26 -4.55 116.67 113.92 1qvy s ASP 201 Ca -0.05 -0.88 0.20 0.00 0.43 0.00 0.00 52.55 52.25 1qvy s ASP 201 Cb 0.16 0.26 1.01 0.00 -0.30 0.00 0.00 42.92 44.06 1qvy s ASP 201 CO 0.66 -0.66 1.91 -0.50 -0.17 0.00 0.00 175.17 176.41 1qvy h TRP 202 N 2.98 0.00 0.00 -5.34 4.06 -1.94 -3.38 115.95 112.33 1qvy h TRP 202 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1qvy h TRP 202 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1qvy h TRP 202 CO 0.48 0.26 -0.08 0.36 -3.56 0.00 0.00 178.44 175.90 1qvy n LYS 203 N -3.79 2.37 -0.03 0.49 2.85 -1.26 -4.98 118.16 113.81 1qvy n LYS 203 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1qvy n LYS 203 Cb 0.35 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1qvy n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10