#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvy n PRO 68 N 0.00 1.08 -0.27 5.55 -0.02 -1.26 -4.88 135.00 135.20 1qvy n PRO 68 Ca 0.00 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1qvy n PRO 68 Cb 0.00 -1.74 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 1qvy n PRO 68 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1qvy h ASN 69 N 2.28 0.13 -3.42 2.55 -1.24 -1.98 -3.40 115.58 110.50 1qvy h ASN 69 Ca -0.39 0.14 -0.65 0.00 0.71 0.00 0.00 56.30 56.11 1qvy h ASN 69 Cb 1.36 0.17 -0.25 0.00 0.73 0.00 0.00 38.32 40.33 1qvy h ASN 69 CO 0.63 -0.01 -0.69 -0.69 -1.29 0.00 0.00 177.43 175.38 1qvy s VAL 70 N -6.00 3.70 -0.20 2.57 1.01 -1.26 -0.08 120.40 120.14 1qvy s VAL 70 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1qvy s VAL 70 Cb 0.22 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1qvy s VAL 70 CO 0.76 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 175.45 1qvy s VAL 71 N 1.10 2.32 -0.15 2.92 1.01 -0.43 -4.97 120.40 122.20 1qvy s VAL 71 Ca 0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1qvy s VAL 71 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1qvy s VAL 71 CO 0.01 0.45 0.55 -0.69 0.00 0.00 0.00 175.10 175.42 1qvy s VAL 72 N 1.31 5.11 -0.11 2.92 1.01 -1.26 -0.96 120.40 128.41 1qvy s VAL 72 Ca 0.04 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.19 1qvy s VAL 72 Cb -0.14 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 1qvy s VAL 72 CO -0.10 0.22 0.05 0.35 0.00 0.00 0.00 175.10 175.62 1qvy n THR 73 N 4.17 0.75 -3.48 3.92 -2.24 -0.03 -4.27 114.28 113.09 1qvy n THR 73 Ca -0.04 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 1qvy n THR 73 Cb 0.51 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 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 -4.35 -0.53 -0.06 3.38 0.00 -1.12 -1.44 107.32 103.21 1qvy s GLY 74 Ca -0.06 0.95 0.04 0.00 0.00 0.00 0.00 44.72 45.66 1qvy s GLY 74 CO 0.46 0.43 -0.18 -2.27 0.00 0.00 0.00 173.10 171.54 1qvy s LEU 75 N -2.26 1.91 -0.08 0.66 0.20 -0.79 -1.15 118.68 117.17 1qvy s LEU 75 Ca 0.00 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1qvy s LEU 75 Cb -0.01 -1.05 0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1qvy s LEU 75 CO -0.07 0.15 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.10 1qvy s THR 76 N 0.15 1.38 -0.43 3.68 2.01 0.04 -0.26 115.64 122.22 1qvy s THR 76 Ca -0.07 -0.62 -0.20 0.00 0.31 0.00 0.00 61.69 61.11 1qvy s THR 76 Cb -0.13 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.16 1qvy s THR 76 CO 0.03 0.41 0.63 -0.22 -0.69 0.00 0.00 174.62 174.78 1qvy s LEU 77 N 0.64 4.49 -0.29 4.42 0.20 0.02 -0.88 118.68 127.28 1qvy s LEU 77 Ca -0.14 -0.30 -0.20 0.00 0.69 0.00 0.00 54.13 54.18 1qvy s LEU 77 Cb -0.16 -2.71 -0.01 0.00 -0.43 0.00 0.00 46.19 42.87 1qvy s LEU 77 CO 0.04 -0.74 0.59 -0.69 -0.29 0.00 0.00 176.35 175.27 1qvy s VAL 78 N 2.76 4.98 -0.20 1.68 1.01 0.39 -4.42 120.40 126.60 1qvy s VAL 78 Ca 0.22 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1qvy s VAL 78 Cb -0.14 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.38 1qvy s VAL 78 CO 0.18 -0.07 0.41 0.00 0.00 0.00 0.00 175.10 175.62 1qvy h SER 80 N 8.18 0.00 -0.13 0.00 4.64 -1.96 -2.96 113.55 121.32 1qvy h SER 80 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1qvy h SER 80 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1qvy h SER 80 CO 0.13 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.72 1qvy n SER 81 N -3.38 3.11 -4.77 4.97 3.41 -1.26 -4.93 113.62 110.77 1qvy n SER 81 Ca -0.00 -1.99 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 1qvy n SER 81 Cb 0.37 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.85 3.33 -1.13 7.33 0.00 -1.12 -4.92 121.76 123.41 1qvy s ALA 82 Ca 0.31 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.69 1qvy s ALA 82 Cb 0.21 -3.46 1.04 0.00 0.00 0.00 0.00 23.12 20.90 1qvy s ALA 82 CO 0.30 -0.69 1.74 -0.35 0.00 0.00 0.00 175.76 176.76 1qvy n PRO 83 N 0.39 0.10 -3.78 0.00 -0.04 -1.26 -4.86 135.00 125.55 1qvy n PRO 83 Ca 0.02 0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1qvy n PRO 83 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.87 -0.19 0.49 0.55 0.00 -1.26 -5.15 107.32 98.89 1qvy s GLY 84 Ca 0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.57 1qvy s GLY 84 CO 0.40 -0.03 1.26 2.56 0.00 0.00 0.00 173.10 177.29 1qvy s PRO 85 N -3.68 3.51 -0.44 2.90 0.04 -1.26 -5.00 135.00 131.07 1qvy s PRO 85 Ca 0.10 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1qvy s PRO 85 Cb -0.04 -2.38 0.12 0.00 0.04 0.00 0.00 34.50 32.24 1qvy s PRO 85 CO 0.03 -0.82 0.19 -0.51 0.04 0.00 0.00 177.00 175.93 1qvy s LEU 86 N -3.18 3.91 -0.01 -3.56 1.43 -1.26 -5.09 118.68 110.91 1qvy s LEU 86 Ca 0.66 -2.60 0.03 0.00 -1.03 0.00 0.00 54.13 51.19 1qvy s LEU 86 Cb -0.35 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1qvy s LEU 86 CO 0.42 -0.29 -0.10 -1.61 0.23 0.00 0.00 176.35 174.99 1qvy s GLU 87 N 0.30 0.86 -0.10 1.70 0.41 -1.26 -0.80 118.70 119.81 1qvy s GLU 87 Ca 0.15 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.36 1qvy s GLU 87 Cb -0.23 -0.82 -0.02 0.00 -1.78 0.00 0.00 34.13 31.28 1qvy s GLU 87 CO -0.04 0.21 -0.15 -0.51 -0.49 0.00 0.00 175.26 174.28 1qvy s LEU 88 N -0.19 2.63 -0.58 1.80 1.43 0.64 -5.01 118.68 119.40 1qvy s LEU 88 Ca 0.03 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 1qvy s LEU 88 Cb -0.05 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1qvy s LEU 88 CO -0.00 0.22 0.87 -0.62 0.23 0.00 0.00 176.35 177.05 1qvy s ASP 89 N 0.01 6.25 0.00 2.29 2.15 -1.26 -1.89 116.67 124.21 1qvy s ASP 89 Ca -0.05 -0.77 0.30 0.00 0.43 0.00 0.00 52.55 52.47 1qvy s ASP 89 Cb -0.14 -2.39 1.54 0.00 -0.30 0.00 0.00 42.92 41.63 1qvy s ASP 89 CO 0.04 -1.23 2.03 0.18 -0.17 0.00 0.00 175.17 176.03 1qvy n LEU 90 N 7.21 0.40 -0.06 -1.34 4.77 -0.52 -1.93 117.00 125.53 1qvy n LEU 90 Ca -0.03 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1qvy n LEU 90 Cb 0.46 -0.07 0.49 0.00 -2.33 0.00 0.00 43.42 41.97 1qvy n LEU 90 CO 0.61 0.07 0.75 0.35 -1.33 0.00 0.00 177.39 177.85 1qvy n THR 91 N -0.79 0.00 -0.83 -5.08 -2.24 -1.25 -4.85 114.28 99.24 1qvy n THR 91 Ca 0.20 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1qvy n THR 91 Cb 0.21 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.41 1.13 3.55 3.38 0.00 -0.81 -4.98 105.19 108.86 1qvy n GLY 92 Ca 0.10 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 0.23 1.61 2.15 -1.26 -4.88 116.67 119.68 1qvy s ASP 93 Ca 0.00 -0.54 -0.06 0.00 0.43 0.00 0.00 52.55 52.39 1qvy s ASP 93 Cb 0.00 -2.56 0.23 0.00 -0.30 0.00 0.00 42.92 40.29 1qvy s ASP 93 CO 0.00 -1.83 1.76 -0.07 -0.17 0.00 0.00 175.17 174.86 1qvy h LEU 94 N 13.15 0.97 -1.44 -1.34 3.38 -1.91 -2.78 115.31 125.34 1qvy h LEU 94 Ca -0.22 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 57.72 1qvy h LEU 94 Cb 1.05 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1qvy h LEU 94 CO 1.29 0.93 0.56 -0.33 0.09 0.00 0.00 178.44 180.98 1qvy h GLU 95 N 0.98 0.51 0.00 1.13 4.39 -1.94 -2.11 114.58 117.54 1qvy h GLU 95 Ca 0.21 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1qvy h GLU 95 Cb 0.34 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1qvy h GLU 95 CO -0.00 0.34 -0.10 0.66 -1.16 0.00 0.00 179.01 178.75 1qvy h SER 96 N 0.52 0.00 0.53 1.42 4.64 -1.89 -2.25 113.55 116.52 1qvy h SER 96 Ca 0.43 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.72 1qvy h SER 96 Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1qvy h SER 96 CO -0.17 0.10 -0.11 -0.26 -0.87 0.00 0.00 176.83 175.52 1qvy h PHE 97 N 0.00 0.00 0.00 4.77 0.04 -1.52 -2.83 116.94 117.40 1qvy h PHE 97 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1qvy h PHE 97 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1qvy h PHE 97 CO 0.00 0.11 -0.06 0.87 -0.60 0.00 0.00 178.31 178.63 1qvy h LYS 98 N 0.00 0.00 -0.00 1.51 1.57 -1.51 -2.37 116.57 115.76 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 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1qvy h LYS 98 CO 0.01 0.06 -0.83 1.63 -0.57 0.00 0.00 179.45 179.75 1qvy n LYS 99 N -3.37 0.88 -2.84 3.15 5.02 -1.07 -4.91 118.16 115.02 1qvy n LYS 99 Ca -0.02 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.94 1qvy n LYS 99 Cb 0.21 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1qvy n LYS 99 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qvy s GLN 100 N -2.71 2.86 0.05 1.97 -0.21 -0.89 -5.12 119.66 115.61 1qvy s GLN 100 Ca 0.08 -0.59 -0.19 0.00 0.02 0.00 0.00 55.36 54.68 1qvy s GLN 100 Cb 0.14 -2.53 0.04 0.00 1.00 0.00 0.00 33.01 31.67 1qvy s GLN 100 CO 0.74 -0.45 0.43 -1.54 -2.12 0.00 0.00 175.29 172.35 1qvy s SER 101 N -4.30 -0.31 -0.14 5.90 1.04 -1.26 -4.11 113.70 110.51 1qvy s SER 101 Ca 0.52 0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.79 1qvy s SER 101 Cb -0.10 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1qvy s SER 101 CO 0.38 -0.68 0.49 -0.36 0.98 0.00 0.00 173.24 174.05 1qvy s PHE 102 N -2.49 3.47 -0.09 5.02 0.08 -0.63 -4.90 117.98 118.44 1qvy s PHE 102 Ca -0.05 0.85 -0.30 0.00 0.12 0.00 0.00 56.93 57.56 1qvy s PHE 102 Cb -0.01 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1qvy s PHE 102 CO -0.02 0.08 1.07 0.08 -0.10 0.00 0.00 175.22 176.33 1qvy s VAL 103 N 0.94 4.61 -0.07 -0.44 1.01 -1.26 -0.27 120.40 124.92 1qvy s VAL 103 Ca 0.25 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.17 1qvy s VAL 103 Cb -0.15 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1qvy s VAL 103 CO 0.10 -0.00 -0.20 -0.22 0.00 0.00 0.00 175.10 174.78 1qvy s LEU 104 N 2.13 1.94 0.19 3.92 2.96 0.06 -4.92 118.68 124.96 1qvy s LEU 104 Ca 0.51 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.68 1qvy s LEU 104 Cb -0.20 -1.14 -0.08 0.00 0.50 0.00 0.00 46.19 45.26 1qvy s LEU 104 CO 0.19 0.15 1.25 -0.75 -1.32 0.00 0.00 176.35 175.87 1qvy s LYS 105 N 0.19 4.45 0.37 1.98 2.20 -1.26 -1.45 119.74 126.21 1qvy s LYS 105 Ca -0.10 1.95 -0.27 0.00 -0.36 0.00 0.00 55.97 57.20 1qvy s LYS 105 Cb -0.14 -3.22 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 1qvy s LYS 105 CO 0.05 -0.16 1.23 -0.85 -0.36 0.00 0.00 175.35 175.25 1qvy n GLU 106 N 2.56 1.91 -0.06 4.03 0.28 0.10 -2.77 120.64 126.68 1qvy n GLU 106 Ca 0.05 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1qvy n GLU 106 Cb 0.44 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1qvy n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qvy n GLY 107 N 0.86 2.41 3.80 -1.84 0.00 -0.70 -4.94 105.19 104.78 1qvy n GLY 107 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.91 3.93 0.21 1.61 -7.23 -1.12 -4.40 120.40 110.50 1qvy s VAL 108 Ca 0.00 1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 61.18 1qvy s VAL 108 Cb 0.00 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.26 1qvy s VAL 108 CO 0.00 -0.15 1.03 -1.61 -0.31 0.00 0.00 175.10 174.06 1qvy s GLU 109 N -2.90 4.70 0.14 4.82 2.02 -1.26 -0.27 118.70 125.96 1qvy s GLU 109 Ca 0.62 1.63 -0.12 0.00 0.02 0.00 0.00 54.97 57.12 1qvy s GLU 109 Cb -0.17 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.80 1qvy s GLU 109 CO 0.21 0.27 0.34 1.52 0.02 0.00 0.00 175.26 177.61 1qvy s TYR 110 N -0.72 0.10 0.13 1.61 1.13 0.02 -4.52 117.35 115.10 1qvy s TYR 110 Ca 0.45 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.68 1qvy s TYR 110 Cb -0.28 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1qvy s TYR 110 CO 0.35 -0.71 -0.10 1.03 -2.51 0.00 0.00 175.55 173.60 1qvy s ARG 111 N -3.89 1.01 -0.18 -3.49 0.52 -0.36 -1.35 118.95 111.20 1qvy s ARG 111 Ca 0.10 -1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1qvy s ARG 111 Cb 0.02 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.87 1qvy s ARG 111 CO -0.06 0.08 -0.02 0.42 0.02 0.00 0.00 175.30 175.74 1qvy s ILE 112 N -3.12 3.88 -0.18 1.52 -1.09 -1.26 -0.46 121.20 120.49 1qvy s ILE 112 Ca 0.14 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.17 1qvy s ILE 112 Cb 0.01 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1qvy s ILE 112 CO 0.00 0.46 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.41 1qvy s LYS 113 N 0.75 3.67 -0.14 2.79 2.20 -0.06 -0.89 119.74 128.07 1qvy s LYS 113 Ca -0.01 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1qvy s LYS 113 Cb -0.14 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1qvy s LYS 113 CO 0.02 0.15 -0.14 0.42 -0.36 0.00 0.00 175.35 175.43 1qvy s ILE 114 N 0.63 2.83 -0.07 5.43 -1.09 -0.70 -0.78 121.20 127.46 1qvy s ILE 114 Ca -0.01 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1qvy s ILE 114 Cb -0.14 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1qvy s ILE 114 CO 0.02 0.52 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.73 1qvy s SER 115 N 0.58 4.57 0.19 3.58 0.01 -0.30 -1.72 113.70 120.62 1qvy s SER 115 Ca -0.09 -0.04 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1qvy s SER 115 Cb -0.16 -1.13 0.06 0.00 0.21 0.00 0.00 66.02 65.00 1qvy s SER 115 CO 0.03 0.36 0.64 0.72 0.41 0.00 0.00 173.24 175.40 1qvy s PHE 116 N -0.80 -0.43 0.12 2.43 -0.71 -0.36 -0.85 117.98 117.38 1qvy s PHE 116 Ca 0.12 0.15 0.09 0.00 -1.04 0.00 0.00 56.93 56.25 1qvy s PHE 116 Cb -0.11 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1qvy s PHE 116 CO 0.01 -0.97 -0.23 -0.98 -1.34 0.00 0.00 175.22 171.72 1qvy s ARG 117 N -3.79 1.25 -0.18 1.99 1.70 -0.14 0.02 118.95 119.79 1qvy s ARG 117 Ca 0.04 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.04 1qvy s ARG 117 Cb -0.03 -1.58 0.00 0.00 -0.57 0.00 0.00 34.95 32.78 1qvy s ARG 117 CO -0.07 0.37 -0.14 0.08 -1.08 0.00 0.00 175.30 174.46 1qvy s VAL 118 N -1.21 2.62 -0.24 4.99 1.01 -1.26 -1.31 120.40 125.00 1qvy s VAL 118 Ca 0.10 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1qvy s VAL 118 Cb -0.10 -2.13 -0.17 0.00 0.00 0.00 0.00 36.38 33.99 1qvy s VAL 118 CO 0.05 0.50 -0.11 0.59 0.00 0.00 0.00 175.10 176.13 1qvy n ASN 119 N 4.48 1.97 0.00 3.32 3.02 0.88 -2.11 115.26 126.81 1qvy n ASN 119 Ca -0.20 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1qvy n ASN 119 Cb 0.51 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1qvy n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qvy n ARG 120 N -3.92 0.50 -4.25 3.52 1.74 -1.26 -4.59 116.66 108.41 1qvy n ARG 120 Ca -0.45 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.44 1qvy n ARG 120 Cb 0.90 -0.79 -0.13 0.00 -1.02 0.00 0.00 32.46 31.43 1qvy n ARG 120 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qvy s GLU 121 N -1.57 0.86 0.20 5.56 2.02 -1.26 -4.78 118.70 119.73 1qvy s GLU 121 Ca 0.00 -0.87 -0.32 0.00 0.02 0.00 0.00 54.97 53.80 1qvy s GLU 121 Cb 0.00 -0.87 -0.13 0.00 0.10 0.00 0.00 34.13 33.23 1qvy s GLU 121 CO 0.00 0.20 1.53 -0.89 0.02 0.00 0.00 175.26 176.13 1qvy n ILE 122 N 1.55 0.41 -4.80 -1.63 5.41 -1.26 -4.46 119.36 114.58 1qvy n ILE 122 Ca -0.20 -0.10 -0.33 0.00 1.00 0.00 0.00 62.75 63.12 1qvy n ILE 122 Cb 0.54 -1.59 -0.15 0.00 -0.71 0.00 0.00 39.64 37.74 1qvy n ILE 122 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qvy s VAL 123 N 0.52 2.86 0.19 1.39 1.01 -0.61 -4.99 120.40 120.77 1qvy s VAL 123 Ca 0.74 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1qvy s VAL 123 Cb -0.64 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1qvy s VAL 123 CO 0.42 0.53 -0.08 -0.44 0.00 0.00 0.00 175.10 175.53 1qvy s SER 124 N 0.42 4.31 -1.42 3.32 0.01 -1.26 -1.23 113.70 117.84 1qvy s SER 124 Ca -0.11 -0.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.48 1qvy s SER 124 Cb -0.16 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.35 1qvy s SER 124 CO 0.05 0.09 1.06 0.61 0.41 0.00 0.00 173.24 175.47 1qvy n GLY 125 N -0.06 -0.54 3.76 3.44 0.00 -1.13 -2.00 105.19 108.67 1qvy n GLY 125 Ca -0.10 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.28 3.63 -0.13 1.61 -1.94 0.01 -2.79 119.30 113.41 1qvy s MET 126 Ca 0.56 2.40 -0.06 0.00 -1.71 0.00 0.00 55.69 56.88 1qvy s MET 126 Cb -0.25 -2.62 0.06 0.00 2.01 0.00 0.00 34.83 34.03 1qvy s MET 126 CO 0.69 -0.85 0.30 0.21 -0.01 0.00 0.00 175.02 175.35 1qvy s LYS 127 N -2.49 0.23 -0.16 2.03 2.20 -0.43 -1.19 119.74 119.92 1qvy s LYS 127 Ca 0.62 0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 56.88 1qvy s LYS 127 Cb -0.43 -0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 35.82 1qvy s LYS 127 CO 0.55 -0.20 -0.06 -0.47 -0.36 0.00 0.00 175.35 174.81 1qvy s TYR 128 N 1.73 2.96 -0.08 4.03 5.04 0.37 -1.34 117.35 130.05 1qvy s TYR 128 Ca -0.06 -0.48 0.05 0.00 -2.44 0.00 0.00 57.07 54.14 1qvy s TYR 128 Cb -0.11 -1.95 -0.00 0.00 0.35 0.00 0.00 41.96 40.25 1qvy s TYR 128 CO -0.10 -0.16 -0.23 0.42 -1.34 0.00 0.00 175.55 174.14 1qvy s ILE 129 N 0.53 1.95 -0.12 3.14 1.01 0.02 -0.14 121.20 127.59 1qvy s ILE 129 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1qvy s ILE 129 Cb -0.15 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1qvy s ILE 129 CO 0.03 0.54 -0.19 -1.10 0.00 0.00 0.00 174.94 174.22 1qvy s GLN 130 N 0.18 2.63 -0.18 2.79 -0.21 -0.17 -1.39 119.66 123.32 1qvy s GLN 130 Ca -0.13 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.50 1qvy s GLN 130 Cb -0.16 -2.15 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 1qvy s GLN 130 CO 0.06 -0.01 -0.04 -1.01 -2.12 0.00 0.00 175.29 172.17 1qvy s HIS 131 N 0.83 2.98 -0.10 0.91 3.76 -0.27 -1.38 115.29 122.02 1qvy s HIS 131 Ca -0.08 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1qvy s HIS 131 Cb -0.16 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1qvy s HIS 131 CO -0.00 -0.21 -0.01 0.99 -0.85 0.00 0.00 174.74 174.65 1qvy s THR 132 N 0.74 4.21 0.10 1.30 2.01 -0.16 -0.67 115.64 123.17 1qvy s THR 132 Ca -0.02 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.78 1qvy s THR 132 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1qvy s THR 132 CO 0.02 0.57 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1qvy s TYR 133 N -0.56 1.62 -0.10 4.92 1.51 0.58 -0.19 117.35 125.13 1qvy s TYR 133 Ca 0.09 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1qvy s TYR 133 Cb -0.12 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1qvy s TYR 133 CO 0.02 0.17 -0.09 0.50 -1.11 0.00 0.00 175.55 175.04 1qvy s ARG 134 N -1.93 1.60 -1.70 -0.62 3.52 -0.32 -1.33 118.95 118.18 1qvy s ARG 134 Ca 0.05 -0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 55.17 1qvy s ARG 134 Cb -0.10 -1.54 0.15 0.00 -1.56 0.00 0.00 34.95 31.90 1qvy s ARG 134 CO 0.04 -0.17 0.66 1.63 -0.81 0.00 0.00 175.30 176.65 1qvy n LYS 135 N 4.56 -2.57 -0.73 5.12 5.02 -1.26 -2.10 118.16 126.19 1qvy n LYS 135 Ca -0.16 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1qvy n LYS 135 Cb 0.51 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 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 -1.48 0.85 3.61 0.72 0.00 -1.26 -5.02 105.19 102.61 1qvy n GLY 136 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.38 4.40 0.10 1.61 -7.23 -0.89 -5.06 120.40 109.94 1qvy s VAL 137 Ca 0.00 -0.18 -0.31 0.00 -1.81 0.00 0.00 61.98 59.68 1qvy s VAL 137 Cb 0.00 -2.94 -0.08 0.00 0.56 0.00 0.00 36.38 33.93 1qvy s VAL 137 CO 0.00 0.51 1.44 -0.75 -0.31 0.00 0.00 175.10 175.99 1qvy s LYS 138 N 0.05 4.29 -0.00 4.82 2.20 -1.26 -1.18 119.74 128.65 1qvy s LYS 138 Ca 0.03 2.11 0.04 0.00 -0.36 0.00 0.00 55.97 57.80 1qvy s LYS 138 Cb -0.13 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 1qvy s LYS 138 CO 0.02 -0.51 0.14 0.44 -0.36 0.00 0.00 175.35 175.08 1qvy n ILE 139 N 4.16 0.00 -3.64 5.43 -5.35 0.73 -4.93 119.36 115.75 1qvy n ILE 139 Ca 0.12 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 1qvy n ILE 139 Cb 0.42 0.70 -0.08 0.00 -1.74 0.00 0.00 39.64 38.94 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 -1.96 -0.49 -0.08 7.28 -1.08 -0.99 -4.99 116.67 114.35 1qvy s ASP 140 Ca 0.00 0.65 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 1qvy s ASP 140 Cb 0.03 0.66 0.02 0.00 -1.46 0.00 0.00 42.92 42.17 1qvy s ASP 140 CO 0.18 -0.43 -0.09 -0.54 0.52 0.00 0.00 175.17 174.81 1qvy s LYS 141 N -0.77 1.50 -0.05 4.34 1.02 -1.26 -0.99 119.74 123.53 1qvy s LYS 141 Ca -0.08 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1qvy s LYS 141 Cb -0.03 -1.38 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1qvy s LYS 141 CO 0.05 -0.09 -0.02 0.99 -0.92 0.00 0.00 175.35 175.36 1qvy s THR 142 N 1.07 0.41 -0.05 2.17 2.01 -0.48 -5.03 115.64 115.75 1qvy s THR 142 Ca -0.07 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1qvy s THR 142 Cb -0.14 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1qvy s THR 142 CO -0.01 0.21 -0.13 -1.81 -0.69 0.00 0.00 174.62 172.20 1qvy s ASP 143 N 1.20 4.17 -0.10 3.53 1.01 -1.26 -1.00 116.67 124.22 1qvy s ASP 143 Ca -0.07 -0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.04 1qvy s ASP 143 Cb -0.14 -0.91 0.02 0.00 1.01 0.00 0.00 42.92 42.90 1qvy s ASP 143 CO -0.02 0.35 -0.12 -0.31 0.21 0.00 0.00 175.17 175.28 1qvy s TYR 144 N -0.76 1.71 -0.12 4.23 2.02 0.80 -4.99 117.35 120.24 1qvy s TYR 144 Ca 0.12 -0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 55.79 1qvy s TYR 144 Cb -0.11 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1qvy s TYR 144 CO 0.01 -0.44 0.79 -1.64 -1.57 0.00 0.00 175.55 172.70 1qvy s MET 145 N 1.10 4.36 0.00 -0.62 -1.94 -1.26 -0.48 119.30 120.46 1qvy s MET 145 Ca -0.05 0.98 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 1qvy s MET 145 Cb -0.14 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.17 1qvy s MET 145 CO -0.02 -0.17 0.34 1.33 -0.01 0.00 0.00 175.02 176.48 1qvy n VAL 146 N 4.36 0.00 0.00 -6.03 0.24 -0.34 -4.97 118.33 111.59 1qvy n VAL 146 Ca 0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1qvy n VAL 146 Cb 0.50 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1qvy n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qvy n GLY 147 N 0.29 -0.08 3.10 7.63 0.00 -1.23 -4.93 105.19 109.98 1qvy n GLY 147 Ca 0.00 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 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 2.19 -0.05 1.61 0.15 -1.26 -0.81 113.70 111.53 1qvy s SER 148 Ca 0.00 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1qvy s SER 148 Cb 0.00 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1qvy s SER 148 CO 0.00 0.10 -0.05 -0.31 1.20 0.00 0.00 173.24 174.18 1qvy s TYR 149 N 0.39 0.81 0.44 3.44 2.02 -0.37 -5.00 117.35 119.08 1qvy s TYR 149 Ca -0.12 -0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1qvy s TYR 149 Cb -0.15 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 1qvy s TYR 149 CO 0.04 -0.22 0.68 0.20 -1.57 0.00 0.00 175.55 174.69 1qvy s GLY 150 N 1.00 1.49 0.26 0.71 0.00 -1.26 -1.57 107.32 107.95 1qvy s GLY 150 Ca -0.10 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 1qvy s GLY 150 CO -0.00 -0.73 1.15 2.56 0.00 0.00 0.00 173.10 176.08 1qvy s PRO 151 N -4.57 4.57 0.21 2.90 0.04 -1.26 -4.76 135.00 132.13 1qvy s PRO 151 Ca 0.46 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 1qvy s PRO 151 Cb -0.10 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1qvy s PRO 151 CO 0.39 0.08 0.85 -0.98 0.04 0.00 0.00 177.00 177.38 1qvy s ARG 152 N -1.16 1.47 0.16 4.56 1.70 -0.90 -4.98 118.95 119.80 1qvy s ARG 152 Ca 0.47 -0.81 -0.06 0.00 -0.47 0.00 0.00 55.73 54.86 1qvy s ARG 152 Cb -0.33 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1qvy s ARG 152 CO 0.41 -0.67 1.43 0.00 -1.08 0.00 0.00 175.30 175.39 1qvy h ALA 153 N 2.00 0.55 -2.59 7.88 0.00 -1.93 -3.41 119.26 121.76 1qvy h ALA 153 Ca -0.22 -0.56 -0.52 0.00 0.00 0.00 0.00 54.91 53.61 1qvy h ALA 153 Cb 1.24 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1qvy h ALA 153 CO 0.24 0.71 0.56 -2.00 0.00 0.00 0.00 179.25 178.76 1qvy s GLU 154 N -3.86 4.47 0.81 0.00 2.12 -1.26 -4.99 118.70 115.99 1qvy s GLU 154 Ca -0.08 1.83 -0.13 0.00 0.36 0.00 0.00 54.97 56.95 1qvy s GLU 154 Cb 0.10 -3.28 0.08 0.00 0.26 0.00 0.00 34.13 31.29 1qvy s GLU 154 CO 0.86 -0.14 1.19 0.39 -0.54 0.00 0.00 175.26 177.02 1qvy n GLU 155 N 3.05 0.18 -4.15 4.30 1.02 -1.26 -4.82 120.64 118.95 1qvy n GLU 155 Ca 0.06 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.10 1qvy n GLU 155 Cb 0.45 -2.42 -0.06 0.00 -0.02 0.00 0.00 31.44 29.39 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 -2.12 3.01 0.01 -0.32 2.02 0.10 -4.97 117.35 115.08 1qvy s TYR 156 Ca 0.73 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 57.31 1qvy s TYR 156 Cb -0.29 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1qvy s TYR 156 CO 0.51 0.53 0.02 -1.21 -1.57 0.00 0.00 175.55 173.84 1qvy s GLU 157 N -3.44 0.31 0.16 -0.62 2.02 -1.26 -1.22 118.70 114.65 1qvy s GLU 157 Ca 0.31 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.88 1qvy s GLU 157 Cb -0.09 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 1qvy s GLU 157 CO 0.23 -0.06 -0.04 -0.59 0.02 0.00 0.00 175.26 174.82 1qvy s PHE 158 N -1.20 1.25 -0.03 1.61 -0.12 -0.70 -5.00 117.98 113.79 1qvy s PHE 158 Ca -0.13 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 55.91 1qvy s PHE 158 Cb -0.08 -0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 41.61 1qvy s PHE 158 CO -0.00 -0.08 -0.22 -0.51 -0.05 0.00 0.00 175.22 174.36 1qvy s LEU 159 N -3.18 2.02 0.64 -1.99 1.43 -1.26 -1.72 118.68 114.62 1qvy s LEU 159 Ca 0.21 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 1qvy s LEU 159 Cb 0.05 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1qvy s LEU 159 CO 0.02 0.24 1.05 0.42 0.23 0.00 0.00 176.35 178.32 1qvy s THR 160 N -0.33 3.95 0.60 5.49 -4.23 -0.07 -4.95 115.64 116.10 1qvy s THR 160 Ca 0.04 0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 61.14 1qvy s THR 160 Cb -0.10 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 1qvy s THR 160 CO 0.01 -0.68 1.24 -2.84 -0.54 0.00 0.00 174.62 171.81 1qvy s PRO 161 N -4.52 2.90 0.25 3.99 0.02 -1.26 -4.37 135.00 132.00 1qvy s PRO 161 Ca 0.61 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 1qvy s PRO 161 Cb -0.15 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 1qvy s PRO 161 CO 0.45 -1.29 1.30 0.28 -0.33 0.00 0.00 177.00 177.42 1qvy n VAL 162 N -1.59 1.19 -4.38 3.83 0.31 -1.26 -4.79 118.33 111.64 1qvy n VAL 162 Ca 0.14 -0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 63.98 1qvy n VAL 162 Cb 0.49 -1.32 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.71 1.54 -0.05 5.55 -1.05 -0.46 -4.98 118.70 118.54 1qvy s GLU 163 Ca 0.66 -1.86 0.05 0.00 -0.15 0.00 0.00 54.97 53.68 1qvy s GLU 163 Cb -0.68 -0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 32.52 1qvy s GLU 163 CO 0.53 -0.29 -0.21 -1.21 0.95 0.00 0.00 175.26 175.04 1qvy s GLU 164 N -3.95 2.51 0.54 -4.83 2.02 -1.26 -0.80 118.70 112.94 1qvy s GLU 164 Ca 0.36 -0.82 -0.21 0.00 0.02 0.00 0.00 54.97 54.32 1qvy s GLU 164 Cb 0.08 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 1qvy s GLU 164 CO 0.15 0.49 1.27 0.00 0.02 0.00 0.00 175.26 177.19 1qvy s ALA 165 N -0.40 2.78 1.01 5.21 0.00 0.63 -4.91 121.76 126.07 1qvy s ALA 165 Ca 0.04 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 1qvy s ALA 165 Cb -0.12 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.70 1qvy s ALA 165 CO 0.02 -1.16 1.10 -1.25 0.00 0.00 0.00 175.76 174.46 1qvy s PRO 166 N -2.97 0.34 0.02 0.00 0.04 -1.26 -1.71 135.00 129.46 1qvy s PRO 166 Ca 0.71 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 1qvy s PRO 166 Cb -0.35 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1qvy s PRO 166 CO 0.41 -2.78 -0.01 0.21 0.04 0.00 0.00 177.00 174.87 1qvy s LYS 167 N -4.98 0.37 0.00 4.56 2.20 -1.26 -2.31 119.74 118.31 1qvy s LYS 167 Ca 0.65 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1qvy s LYS 167 Cb -0.18 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1qvy s LYS 167 CO 0.57 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 1qvy n GLY 168 N 1.41 2.87 0.21 5.54 0.00 -1.26 -4.55 105.19 109.42 1qvy n GLY 168 Ca -0.23 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 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 0.33 0.00 1.61 4.05 -2.00 0.23 114.93 119.14 1qvy h MET 169 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1qvy h MET 169 Cb 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1qvy h MET 169 CO 0.00 0.22 0.00 1.28 0.23 0.00 0.00 176.91 178.64 1qvy n LEU 170 N -5.04 0.00 -0.00 3.39 4.77 -1.26 -2.42 117.00 116.44 1qvy n LEU 170 Ca 0.07 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 1qvy n LEU 170 Cb 0.24 -0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1qvy n LEU 170 CO 0.22 -0.10 -0.26 0.00 -1.33 0.00 0.00 177.39 175.92 1qvy n ALA 171 N -1.35 3.72 -1.68 -1.18 0.00 0.00 -5.01 120.51 115.01 1qvy n ALA 171 Ca 0.09 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 1qvy n ALA 171 Cb 0.20 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.82 3.35 0.00 0.00 0.52 -0.80 -4.84 118.95 114.36 1qvy s ARG 172 Ca 0.02 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 1qvy s ARG 172 Cb 0.12 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1qvy s ARG 172 CO 0.72 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1qvy n GLY 173 N -0.73 0.01 3.88 -3.53 0.00 -0.19 -4.93 105.19 99.70 1qvy n GLY 173 Ca 0.09 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 6.54 -0.02 1.61 1.04 -1.26 -0.65 113.70 116.96 1qvy s SER 174 Ca 0.00 0.64 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1qvy s SER 174 Cb 0.00 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 64.00 1qvy s SER 174 CO 0.00 0.16 -0.12 -0.31 0.98 0.00 0.00 173.24 173.96 1qvy s TYR 175 N -1.45 1.14 -0.01 5.02 1.51 -0.11 -4.51 117.35 118.93 1qvy s TYR 175 Ca 0.34 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1qvy s TYR 175 Cb -0.13 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1qvy s TYR 175 CO 0.20 -0.08 0.07 -1.54 -1.11 0.00 0.00 175.55 173.09 1qvy s SER 176 N -0.01 5.62 -0.11 2.29 1.04 -0.44 -1.20 113.70 120.89 1qvy s SER 176 Ca -0.00 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1qvy s SER 176 Cb -0.08 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.46 1qvy s SER 176 CO 0.00 0.28 -0.14 -0.63 0.98 0.00 0.00 173.24 173.74 1qvy s ILE 177 N -1.17 1.39 -0.35 -1.02 1.01 0.79 -0.31 121.20 121.55 1qvy s ILE 177 Ca 0.22 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1qvy s ILE 177 Cb -0.12 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1qvy s ILE 177 CO 0.13 0.42 0.19 -0.54 0.00 0.00 0.00 174.94 175.14 1qvy s LYS 178 N 1.12 3.13 -0.13 2.79 1.02 0.15 -1.32 119.74 126.51 1qvy s LYS 178 Ca -0.04 -0.87 -0.07 0.00 0.02 0.00 0.00 55.97 55.00 1qvy s LYS 178 Cb -0.14 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1qvy s LYS 178 CO -0.03 -0.55 0.12 -1.12 -0.92 0.00 0.00 175.35 172.85 1qvy s SER 179 N 1.61 6.21 -0.01 2.83 0.01 0.47 -1.12 113.70 123.70 1qvy s SER 179 Ca 0.04 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1qvy s SER 179 Cb -0.18 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1qvy s SER 179 CO 0.07 0.36 -0.03 -0.13 0.41 0.00 0.00 173.24 173.92 1qvy s ARG 180 N -0.75 0.33 -0.17 12.44 0.52 -0.48 -1.38 118.95 129.45 1qvy s ARG 180 Ca 0.13 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1qvy s ARG 180 Cb -0.12 -0.34 0.02 0.00 0.52 0.00 0.00 34.95 35.03 1qvy s ARG 180 CO 0.03 0.05 -0.20 0.12 0.02 0.00 0.00 175.30 175.32 1qvy s PHE 181 N 0.07 2.70 0.01 -0.53 5.99 -0.29 -0.80 117.98 125.13 1qvy s PHE 181 Ca -0.00 -1.55 0.00 0.00 0.00 0.00 0.00 56.93 55.37 1qvy s PHE 181 Cb -0.03 -1.87 -0.00 0.00 0.00 0.00 0.00 43.02 41.12 1qvy s PHE 181 CO -0.00 -0.76 0.01 -2.37 -0.00 0.00 0.00 175.22 172.10 1qvy n THR 182 N 4.54 0.00 -3.12 0.12 5.66 -0.45 -1.29 114.28 119.74 1qvy n THR 182 Ca -0.20 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1qvy n THR 182 Cb 0.50 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 -2.45 0.00 0.08 1.09 5.68 -1.25 -1.32 116.55 118.37 1qvy n ASP 183 Ca 0.00 -0.74 0.16 0.00 -0.50 0.00 0.00 54.79 53.71 1qvy n ASP 183 Cb 0.02 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.00 0.03 -0.19 -1.12 3.32 -1.23 -0.40 116.42 116.84 1qvy h ASP 184 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qvy h ASP 184 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1qvy h ASP 184 CO 0.00 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.01 1qvy n ASP 185 N -4.44 1.30 -2.20 6.45 8.00 -1.26 -4.92 116.55 119.49 1qvy n ASP 185 Ca 0.06 -1.81 -0.19 0.00 0.71 0.00 0.00 54.79 53.56 1qvy n ASP 185 Cb 0.42 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.14 -1.72 -2.11 -1.24 5.02 -0.16 -4.96 118.16 113.13 1qvy n LYS 186 Ca 0.12 0.95 -0.41 0.00 -2.02 0.00 0.00 58.31 56.95 1qvy n LYS 186 Cb 0.24 -5.53 -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 -2.85 2.85 -1.12 -0.18 2.01 -1.26 -4.85 115.64 110.24 1qvy s THR 187 Ca 0.00 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1qvy s THR 187 Cb 0.00 -3.47 0.14 0.00 0.01 0.00 0.00 72.50 69.18 1qvy s THR 187 CO 0.00 0.13 1.37 -0.62 -0.69 0.00 0.00 174.62 174.81 1qvy s ASP 188 N 0.10 6.89 0.18 3.53 2.15 -1.26 -3.87 116.67 124.38 1qvy s ASP 188 Ca 0.55 -2.59 -0.11 0.00 0.43 0.00 0.00 52.55 50.83 1qvy s ASP 188 Cb -0.40 -2.42 0.08 0.00 -0.30 0.00 0.00 42.92 39.88 1qvy s ASP 188 CO 0.44 -0.92 1.74 0.45 -0.17 0.00 0.00 175.17 176.72 1qvy h HIS 189 N 7.83 0.93 -1.61 -5.34 3.86 -1.56 -3.45 115.15 115.81 1qvy h HIS 189 Ca 0.27 -0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1qvy h HIS 189 Cb 0.93 -0.28 -0.25 0.00 1.06 0.00 0.00 27.41 28.87 1qvy h HIS 189 CO 1.16 0.74 0.47 -1.17 0.86 0.00 0.00 177.93 179.98 1qvy s LEU 190 N -9.77 -0.44 -0.02 2.43 2.96 -1.17 -4.68 118.68 107.99 1qvy s LEU 190 Ca -0.13 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.54 1qvy s LEU 190 Cb 0.13 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.73 1qvy s LEU 190 CO 0.80 -0.24 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.99 1qvy s SER 191 N -0.30 1.89 0.14 3.68 0.01 -1.26 -1.13 113.70 116.72 1qvy s SER 191 Ca 0.01 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.76 1qvy s SER 191 Cb -0.03 -0.36 0.06 0.00 0.21 0.00 0.00 66.02 65.90 1qvy s SER 191 CO -0.03 0.17 0.52 -1.66 0.41 0.00 0.00 173.24 172.65 1qvy s TRP 192 N -0.16 -0.41 -0.04 2.43 -2.14 -0.48 -5.02 118.94 113.12 1qvy s TRP 192 Ca 0.02 0.19 0.04 0.00 2.66 0.00 0.00 56.10 59.00 1qvy s TRP 192 Cb -0.08 0.43 -0.00 0.00 -3.10 0.00 0.00 33.47 30.72 1qvy s TRP 192 CO 0.00 -0.78 -0.15 -2.00 -2.66 0.00 0.00 176.95 171.36 1qvy s GLU 193 N -3.65 1.57 0.27 3.25 2.12 -1.26 -0.40 118.70 120.61 1qvy s GLU 193 Ca 0.01 -0.54 -0.07 0.00 0.36 0.00 0.00 54.97 54.72 1qvy s GLU 193 Cb 0.00 -1.39 -0.01 0.00 0.26 0.00 0.00 34.13 32.99 1qvy s GLU 193 CO -0.12 0.23 0.42 1.67 -0.54 0.00 0.00 175.26 176.91 1qvy s TRP 194 N 0.04 0.73 0.04 5.30 1.48 -0.43 -3.89 118.94 122.21 1qvy s TRP 194 Ca -0.03 -1.03 0.02 0.00 -1.06 0.00 0.00 56.10 54.00 1qvy s TRP 194 Cb -0.10 -0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.15 1qvy s TRP 194 CO 0.02 -0.98 -0.06 -0.80 -4.06 0.00 0.00 176.95 171.06 1qvy s ASN 195 N -3.11 0.73 -0.00 -2.66 0.01 -1.26 -0.15 114.94 108.50 1qvy s ASN 195 Ca 0.28 -0.59 0.07 0.00 -0.71 0.00 0.00 52.86 51.91 1qvy s ASN 195 Cb 0.01 0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.70 1qvy s ASN 195 CO 0.13 -0.26 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.47 1qvy s LEU 196 N -1.71 2.27 -0.23 0.60 1.02 -0.34 -1.60 118.68 118.69 1qvy s LEU 196 Ca -0.09 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.64 1qvy s LEU 196 Cb -0.08 -1.39 0.05 0.00 0.02 0.00 0.00 46.19 44.79 1qvy s LEU 196 CO -0.01 0.30 -0.12 -0.89 0.02 0.00 0.00 176.35 175.66 1qvy s THR 197 N -0.71 1.94 -0.18 5.49 2.01 0.62 -0.94 115.64 123.86 1qvy s THR 197 Ca 0.11 -1.30 -0.23 0.00 0.31 0.00 0.00 61.69 60.58 1qvy s THR 197 Cb -0.10 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1qvy s THR 197 CO 0.01 0.12 0.73 -0.63 -0.69 0.00 0.00 174.62 174.15 1qvy s ILE 198 N 1.25 4.95 0.16 1.82 -1.09 0.18 -0.76 121.20 127.71 1qvy s ILE 198 Ca -0.04 1.41 0.05 0.00 -2.23 0.00 0.00 60.65 59.84 1qvy s ILE 198 Cb -0.18 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1qvy s ILE 198 CO -0.07 0.07 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.46 1qvy s ARG 199 N 2.01 1.13 0.46 2.79 1.81 -0.53 -1.02 118.95 125.59 1qvy s ARG 199 Ca 0.33 -1.47 0.13 0.00 -1.72 0.00 0.00 55.73 53.01 1qvy s ARG 199 Cb -0.16 -0.77 1.05 0.00 -0.45 0.00 0.00 34.95 34.62 1qvy s ARG 199 CO 0.11 0.11 2.05 0.00 -0.68 0.00 0.00 175.30 176.89 1qvy h ARG 200 N 2.78 0.10 -4.04 3.54 3.08 -1.96 0.31 114.38 118.19 1qvy h ARG 200 Ca -0.37 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.54 1qvy h ARG 200 Cb 1.20 -0.02 -0.16 0.00 0.08 0.00 0.00 29.97 31.07 1qvy h ARG 200 CO 0.62 0.17 -0.59 0.34 -1.07 0.00 0.00 179.97 179.43 1qvy s ASP 201 N -6.97 0.33 0.37 7.04 -1.08 -1.26 -4.58 116.67 110.51 1qvy s ASP 201 Ca -0.05 -0.78 0.10 0.00 -0.52 0.00 0.00 52.55 51.30 1qvy s ASP 201 Cb 0.16 0.22 0.72 0.00 -1.46 0.00 0.00 42.92 42.56 1qvy s ASP 201 CO 0.70 -0.57 1.85 -0.50 0.52 0.00 0.00 175.17 177.17 1qvy h TRP 202 N 3.36 0.16 0.00 -5.34 4.06 -1.92 -3.39 115.95 112.87 1qvy h TRP 202 Ca -0.33 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1qvy h TRP 202 Cb 1.17 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1qvy h TRP 202 CO 0.53 0.41 -0.36 0.36 -3.56 0.00 0.00 178.44 175.81 1qvy n LYS 203 N -4.18 1.37 0.00 0.49 2.85 -1.26 -4.98 118.16 112.46 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 -0.68 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 1qvy n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10