#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 0.10 -0.14 5.55 -0.02 -1.26 -4.92 135.00 134.31 1qvy n PRO 68 Ca 0.00 0.10 -0.08 0.00 -2.02 0.00 0.00 63.50 61.50 1qvy n PRO 68 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 -0.96 0.52 -3.34 2.55 -1.24 -1.98 -3.41 115.58 107.72 1qvy h ASN 69 Ca -0.45 -0.08 -0.64 0.00 0.71 0.00 0.00 56.30 55.83 1qvy h ASN 69 Cb 1.30 -0.13 -0.24 0.00 0.73 0.00 0.00 38.32 39.99 1qvy h ASN 69 CO 0.43 0.45 -0.69 -0.69 -1.29 0.00 0.00 177.43 175.64 1qvy s VAL 70 N -5.89 3.68 -0.16 2.57 1.01 -1.26 -0.40 120.40 119.95 1qvy s VAL 70 Ca -0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1qvy s VAL 70 Cb 0.11 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1qvy s VAL 70 CO 0.74 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 175.57 1qvy s VAL 71 N 0.63 1.14 -0.15 2.92 1.01 -0.75 -4.98 120.40 120.22 1qvy s VAL 71 Ca -0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1qvy s VAL 71 Cb -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1qvy s VAL 71 CO 0.02 0.16 0.91 -0.69 0.00 0.00 0.00 175.10 175.50 1qvy s VAL 72 N 1.62 4.84 -0.11 2.92 1.01 -1.26 -0.53 120.40 128.89 1qvy s VAL 72 Ca 0.01 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.91 1qvy s VAL 72 Cb -0.15 -4.21 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 1qvy s VAL 72 CO -0.08 0.01 0.06 0.35 0.00 0.00 0.00 175.10 175.44 1qvy n THR 73 N 4.67 0.78 -3.48 3.92 -2.24 -0.30 -4.20 114.28 113.43 1qvy n THR 73 Ca 0.06 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 1qvy n THR 73 Cb 0.49 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 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 -4.43 -0.59 -0.06 3.38 0.00 -1.03 -1.71 107.32 102.88 1qvy s GLY 74 Ca -0.06 0.95 0.05 0.00 0.00 0.00 0.00 44.72 45.66 1qvy s GLY 74 CO 0.50 0.60 -0.21 -2.27 0.00 0.00 0.00 173.10 171.72 1qvy s LEU 75 N -1.90 1.97 -0.06 0.66 0.20 -0.70 -1.05 118.68 117.79 1qvy s LEU 75 Ca -0.05 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.36 1qvy s LEU 75 Cb -0.00 -1.16 0.01 0.00 -0.43 0.00 0.00 46.19 44.60 1qvy s LEU 75 CO -0.01 0.18 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.20 1qvy s THR 76 N 0.04 1.26 -0.50 3.68 2.01 0.07 -0.71 115.64 121.48 1qvy s THR 76 Ca -0.06 -0.57 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1qvy s THR 76 Cb -0.13 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.29 1qvy s THR 76 CO 0.04 0.38 0.73 -0.22 -0.69 0.00 0.00 174.62 174.86 1qvy s LEU 77 N 0.48 4.55 -0.37 4.42 2.96 -0.19 -0.73 118.68 129.80 1qvy s LEU 77 Ca -0.12 -0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 53.00 1qvy s LEU 77 Cb -0.15 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.89 1qvy s LEU 77 CO 0.04 -0.96 0.80 -0.69 -1.32 0.00 0.00 176.35 174.22 1qvy s VAL 78 N 3.11 4.71 -0.28 1.68 1.01 0.49 -4.44 120.40 126.68 1qvy s VAL 78 Ca 0.22 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1qvy s VAL 78 Cb -0.16 -4.23 0.16 0.00 0.00 0.00 0.00 36.38 32.15 1qvy s VAL 78 CO 0.16 -0.46 0.43 0.00 0.00 0.00 0.00 175.10 175.23 1qvy h SER 80 N 8.14 0.00 1.50 0.00 4.64 -1.94 -2.34 113.55 123.54 1qvy h SER 80 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1qvy h SER 80 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1qvy h SER 80 CO 0.26 0.00 -0.16 0.28 -0.87 0.00 0.00 176.83 176.33 1qvy h SER 81 N 0.00 0.00 -3.97 4.97 0.02 -1.96 -3.47 113.55 109.15 1qvy h SER 81 Ca 0.00 -0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 60.41 1qvy h SER 81 Cb 0.50 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.09 1qvy h SER 81 CO 0.00 0.02 0.49 0.00 -1.14 0.00 0.00 176.83 176.19 1qvy s ALA 82 N -3.16 3.08 -1.09 3.77 0.00 -0.88 -4.93 121.76 118.55 1qvy s ALA 82 Ca 0.08 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.20 1qvy s ALA 82 Cb 0.10 -3.37 1.03 0.00 0.00 0.00 0.00 23.12 20.88 1qvy s ALA 82 CO 0.65 -0.55 1.75 -0.35 0.00 0.00 0.00 175.76 177.26 1qvy n PRO 83 N -0.15 0.07 -3.70 0.00 -0.04 -1.26 -4.88 135.00 125.04 1qvy n PRO 83 Ca 0.05 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1qvy n PRO 83 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.91 -0.28 0.55 0.55 0.00 -1.26 -5.15 107.32 98.81 1qvy s GLY 84 Ca 0.13 0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.84 1qvy s GLY 84 CO 0.41 0.05 1.27 2.56 0.00 0.00 0.00 173.10 177.39 1qvy s PRO 85 N -3.48 3.19 -0.39 2.90 0.04 -1.26 -5.00 135.00 131.01 1qvy s PRO 85 Ca 0.09 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1qvy s PRO 85 Cb -0.02 -2.18 0.11 0.00 0.04 0.00 0.00 34.50 32.45 1qvy s PRO 85 CO -0.00 -1.08 0.15 -0.51 0.04 0.00 0.00 177.00 175.60 1qvy s LEU 86 N -3.61 3.47 -0.01 -3.56 1.43 -1.26 -5.09 118.68 110.04 1qvy s LEU 86 Ca 0.72 -2.29 0.02 0.00 -1.03 0.00 0.00 54.13 51.55 1qvy s LEU 86 Cb -0.35 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1qvy s LEU 86 CO 0.40 -0.33 -0.07 -1.61 0.23 0.00 0.00 176.35 174.97 1qvy s GLU 87 N 0.74 0.60 -0.13 1.70 2.02 -1.26 -1.02 118.70 121.36 1qvy s GLU 87 Ca 0.13 -0.25 -0.00 0.00 0.02 0.00 0.00 54.97 54.87 1qvy s GLU 87 Cb -0.21 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.42 1qvy s GLU 87 CO -0.09 0.14 -0.13 -0.51 0.02 0.00 0.00 175.26 174.69 1qvy s LEU 88 N -0.11 2.72 -0.63 1.80 1.43 0.11 -5.01 118.68 118.99 1qvy s LEU 88 Ca 0.02 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 1qvy s LEU 88 Cb -0.03 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1qvy s LEU 88 CO -0.00 0.16 1.04 -0.62 0.23 0.00 0.00 176.35 177.16 1qvy s ASP 89 N 0.36 6.25 0.00 2.29 -1.08 -1.26 -1.73 116.67 121.51 1qvy s ASP 89 Ca -0.11 -0.56 0.26 0.00 -0.52 0.00 0.00 52.55 51.63 1qvy s ASP 89 Cb -0.16 -2.47 1.45 0.00 -1.46 0.00 0.00 42.92 40.29 1qvy s ASP 89 CO 0.06 -1.46 1.95 0.18 0.52 0.00 0.00 175.17 176.42 1qvy n LEU 90 N 8.04 0.28 -0.13 -1.34 4.77 -0.69 -1.84 117.00 126.09 1qvy n LEU 90 Ca 0.01 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1qvy n LEU 90 Cb 0.47 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.77 1qvy n LEU 90 CO 0.66 0.05 0.44 0.35 -1.33 0.00 0.00 177.39 177.56 1qvy n THR 91 N -0.70 0.00 -0.53 -5.08 -2.24 -1.25 -4.82 114.28 99.66 1qvy n THR 91 Ca 0.19 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1qvy n THR 91 Cb 0.14 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.12 3.47 3.38 0.00 -0.76 -4.99 105.19 108.85 1qvy n GLY 92 Ca 0.08 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 6.24 0.40 1.61 2.15 -1.26 -4.88 116.67 119.93 1qvy s ASP 93 Ca 0.00 -1.07 0.14 0.00 0.43 0.00 0.00 52.55 52.05 1qvy s ASP 93 Cb 0.00 -2.44 0.83 0.00 -0.30 0.00 0.00 42.92 41.01 1qvy s ASP 93 CO 0.00 -1.45 1.88 -0.07 -0.17 0.00 0.00 175.17 175.36 1qvy h LEU 94 N 11.51 0.00 -1.10 -1.34 3.38 -1.92 -2.67 115.31 123.17 1qvy h LEU 94 Ca -0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1qvy h LEU 94 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1qvy h LEU 94 CO 1.20 0.31 0.21 -0.33 0.09 0.00 0.00 178.44 179.92 1qvy h GLU 95 N 0.00 0.84 -0.09 1.13 4.39 -1.94 -2.67 114.58 116.24 1qvy h GLU 95 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1qvy h GLU 95 Cb 0.57 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1qvy h GLU 95 CO 0.04 0.71 0.06 0.66 -1.16 0.00 0.00 179.01 179.32 1qvy h SER 96 N 0.83 0.10 0.68 1.42 4.64 -1.88 -2.50 113.55 116.84 1qvy h SER 96 Ca 0.19 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1qvy h SER 96 Cb 0.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1qvy h SER 96 CO -0.01 0.08 -0.21 -0.26 -0.87 0.00 0.00 176.83 175.56 1qvy h PHE 97 N 0.12 0.00 0.00 4.77 0.04 -1.59 -2.66 116.94 117.62 1qvy h PHE 97 Ca 0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1qvy h PHE 97 Cb -0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 1qvy h PHE 97 CO 0.00 0.21 -0.05 0.87 -0.60 0.00 0.00 178.31 178.74 1qvy h LYS 98 N 0.00 0.00 0.00 1.51 1.57 -1.52 -2.56 116.57 115.58 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 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1qvy h LYS 98 CO 0.03 0.05 -0.96 1.63 -0.57 0.00 0.00 179.45 179.63 1qvy n LYS 99 N -3.43 1.06 -2.47 3.15 4.76 -1.01 -4.92 118.16 115.31 1qvy n LYS 99 Ca -0.02 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.15 1qvy n LYS 99 Cb 0.18 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.75 2.67 0.05 1.97 -0.21 -0.96 -5.12 119.66 115.31 1qvy s GLN 100 Ca 0.05 -0.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.98 1qvy s GLN 100 Cb 0.13 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.85 1qvy s GLN 100 CO 0.73 -0.79 0.39 -1.54 -2.12 0.00 0.00 175.29 171.96 1qvy s SER 101 N -4.37 -0.25 -0.14 5.90 1.04 -1.26 -4.11 113.70 110.52 1qvy s SER 101 Ca 0.55 -0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.75 1qvy s SER 101 Cb -0.10 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1qvy s SER 101 CO 0.43 -0.66 0.45 -0.36 0.98 0.00 0.00 173.24 174.08 1qvy s PHE 102 N -2.55 3.48 -0.11 5.02 0.08 -0.60 -4.89 117.98 118.41 1qvy s PHE 102 Ca -0.05 0.82 -0.28 0.00 0.12 0.00 0.00 56.93 57.55 1qvy s PHE 102 Cb -0.01 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1qvy s PHE 102 CO -0.03 0.14 0.92 0.08 -0.10 0.00 0.00 175.22 176.23 1qvy s VAL 103 N 0.74 4.85 -0.02 -0.44 1.01 -1.26 -0.55 120.40 124.73 1qvy s VAL 103 Ca 0.24 1.85 0.07 0.00 0.00 0.00 0.00 61.98 64.14 1qvy s VAL 103 Cb -0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1qvy s VAL 103 CO 0.09 0.05 -0.23 -0.76 0.00 0.00 0.00 175.10 174.25 1qvy s LEU 104 N 1.81 2.04 0.15 3.92 1.43 -0.16 -4.93 118.68 122.94 1qvy s LEU 104 Ca 0.44 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1qvy s LEU 104 Cb -0.18 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.75 1qvy s LEU 104 CO 0.17 0.28 1.26 -0.75 0.23 0.00 0.00 176.35 177.55 1qvy s LYS 105 N -0.51 4.42 0.46 1.70 2.20 -1.26 -1.34 119.74 125.42 1qvy s LYS 105 Ca 0.08 1.93 -0.24 0.00 -0.36 0.00 0.00 55.97 57.38 1qvy s LYS 105 Cb -0.09 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 1qvy s LYS 105 CO -0.00 -0.23 1.22 -0.85 -0.36 0.00 0.00 175.35 175.13 1qvy n GLU 106 N 3.10 1.71 -0.51 4.03 0.28 0.34 -2.37 120.64 127.23 1qvy n GLU 106 Ca 0.07 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 1qvy n GLU 106 Cb 0.44 -2.35 0.00 0.00 1.43 0.00 0.00 31.44 30.96 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 0.90 1.77 3.78 -1.84 0.00 -0.60 -4.94 105.19 104.26 1qvy n GLY 107 Ca 0.08 0.00 -0.36 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 -3.31 3.76 0.11 1.61 -7.23 -1.00 -4.48 120.40 109.86 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 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 1qvy s VAL 108 CO 0.00 -0.03 1.01 -1.61 -0.31 0.00 0.00 175.10 174.16 1qvy s GLU 109 N -2.59 4.65 0.19 4.82 2.02 -1.26 -0.71 118.70 125.82 1qvy s GLU 109 Ca 0.59 1.53 -0.11 0.00 0.02 0.00 0.00 54.97 56.99 1qvy s GLU 109 Cb -0.21 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 1qvy s GLU 109 CO 0.26 0.13 0.36 1.52 0.02 0.00 0.00 175.26 177.56 1qvy s TYR 110 N 0.11 0.31 0.11 1.61 1.13 0.17 -4.57 117.35 116.22 1qvy s TYR 110 Ca 0.49 -0.67 0.05 0.00 -1.41 0.00 0.00 57.07 55.52 1qvy s TYR 110 Cb -0.25 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1qvy s TYR 110 CO 0.31 -0.81 -0.12 1.03 -2.51 0.00 0.00 175.55 173.45 1qvy s ARG 111 N -3.96 0.93 -0.19 -3.49 0.52 -0.40 -1.12 118.95 111.24 1qvy s ARG 111 Ca 0.17 -1.22 -0.08 0.00 -0.52 0.00 0.00 55.73 54.08 1qvy s ARG 111 Cb 0.02 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1qvy s ARG 111 CO 0.02 0.11 0.08 0.42 0.02 0.00 0.00 175.30 175.95 1qvy s ILE 112 N -2.42 4.91 -0.18 1.52 -1.09 -1.26 -0.38 121.20 122.29 1qvy s ILE 112 Ca 0.08 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.48 1qvy s ILE 112 Cb -0.03 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1qvy s ILE 112 CO 0.01 0.44 -0.07 -0.75 -1.23 0.00 0.00 174.94 173.35 1qvy s LYS 113 N 0.49 3.42 -0.15 2.79 2.20 0.09 -0.87 119.74 127.70 1qvy s LYS 113 Ca 0.04 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1qvy s LYS 113 Cb -0.12 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1qvy s LYS 113 CO 0.00 -0.01 -0.04 0.42 -0.36 0.00 0.00 175.35 175.35 1qvy s ILE 114 N 0.99 3.83 -0.08 5.43 -1.09 -0.37 -0.75 121.20 129.16 1qvy s ILE 114 Ca -0.00 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1qvy s ILE 114 Cb -0.15 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1qvy s ILE 114 CO -0.00 0.50 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.69 1qvy s SER 115 N 0.33 4.59 0.20 3.58 0.01 -0.22 -1.73 113.70 120.46 1qvy s SER 115 Ca -0.04 -0.05 -0.21 0.00 1.31 0.00 0.00 55.95 56.95 1qvy s SER 115 Cb -0.14 -1.21 0.05 0.00 0.21 0.00 0.00 66.02 64.93 1qvy s SER 115 CO 0.03 0.34 0.60 0.72 0.41 0.00 0.00 173.24 175.34 1qvy s PHE 116 N -0.67 -0.33 0.08 2.43 -0.71 -0.46 -1.15 117.98 117.16 1qvy s PHE 116 Ca 0.10 0.02 0.09 0.00 -1.04 0.00 0.00 56.93 56.10 1qvy s PHE 116 Cb -0.11 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1qvy s PHE 116 CO 0.02 -0.96 -0.22 1.03 -1.34 0.00 0.00 175.22 173.75 1qvy s ARG 117 N -3.83 1.79 -0.21 1.99 0.52 0.31 -0.08 118.95 119.45 1qvy s ARG 117 Ca 0.06 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.15 1qvy s ARG 117 Cb -0.02 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.43 1qvy s ARG 117 CO -0.05 0.50 -0.15 0.08 0.02 0.00 0.00 175.30 175.70 1qvy s VAL 118 N -0.97 2.00 -0.15 3.52 1.01 -1.26 -1.80 120.40 122.75 1qvy s VAL 118 Ca 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1qvy s VAL 118 Cb -0.10 -1.97 -0.23 0.00 0.00 0.00 0.00 36.38 34.07 1qvy s VAL 118 CO 0.06 0.26 0.25 0.59 0.00 0.00 0.00 175.10 176.26 1qvy n ASN 119 N 4.57 1.72 0.00 3.32 3.02 0.46 -1.82 115.26 126.54 1qvy n ASN 119 Ca -0.17 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1qvy n ASN 119 Cb 0.46 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1qvy n ASN 119 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1qvy n ARG 120 N -3.30 2.88 -3.99 3.52 1.85 -1.26 -4.58 116.66 111.78 1qvy n ARG 120 Ca -0.33 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.43 1qvy n ARG 120 Cb 1.04 -0.24 -0.11 0.00 -1.05 0.00 0.00 32.46 32.11 1qvy n ARG 120 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1qvy s GLU 121 N 0.00 0.40 0.30 2.89 -1.05 -1.26 -4.81 118.70 115.17 1qvy s GLU 121 Ca 0.00 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 53.81 1qvy s GLU 121 Cb 0.00 0.15 -0.11 0.00 -0.44 0.00 0.00 34.13 33.73 1qvy s GLU 121 CO 0.00 -0.07 1.46 0.42 0.95 0.00 0.00 175.26 178.02 1qvy s ILE 122 N -1.99 2.40 -0.07 1.83 1.01 -1.26 -4.42 121.20 118.70 1qvy s ILE 122 Ca -0.11 0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.94 1qvy s ILE 122 Cb -0.06 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1qvy s ILE 122 CO -0.03 0.07 -0.21 0.68 0.00 0.00 0.00 174.94 175.45 1qvy s VAL 123 N -0.44 1.75 0.11 2.92 -7.23 -0.56 -5.00 120.40 111.96 1qvy s VAL 123 Ca 0.57 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.94 1qvy s VAL 123 Cb -0.44 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1qvy s VAL 123 CO 0.50 0.49 -0.10 -0.55 -0.31 0.00 0.00 175.10 175.14 1qvy s SER 124 N 0.20 4.42 -1.05 4.85 0.15 -1.26 -0.90 113.70 120.11 1qvy s SER 124 Ca -0.11 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.13 1qvy s SER 124 Cb -0.15 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1qvy s SER 124 CO 0.05 0.18 0.33 0.61 1.20 0.00 0.00 173.24 175.60 1qvy n GLY 125 N 0.67 -0.12 3.77 9.45 0.00 -1.20 -2.22 105.19 115.54 1qvy n GLY 125 Ca -0.13 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.18 3.86 -0.10 1.61 -1.94 -0.36 -2.97 119.30 114.22 1qvy s MET 126 Ca 0.16 2.02 -0.06 0.00 -1.71 0.00 0.00 55.69 56.10 1qvy s MET 126 Cb -0.07 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.19 1qvy s MET 126 CO 0.20 -0.54 0.24 0.21 -0.01 0.00 0.00 175.02 175.11 1qvy s LYS 127 N -2.41 0.22 -0.15 2.03 2.20 -0.13 -1.41 119.74 120.10 1qvy s LYS 127 Ca 0.60 0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1qvy s LYS 127 Cb -0.35 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 35.94 1qvy s LYS 127 CO 0.44 -0.11 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.71 1qvy s TYR 128 N 0.82 2.81 -0.08 4.03 5.04 -0.03 -0.93 117.35 129.01 1qvy s TYR 128 Ca -0.06 -0.86 0.05 0.00 -2.44 0.00 0.00 57.07 53.76 1qvy s TYR 128 Cb -0.07 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 1qvy s TYR 128 CO -0.05 -0.37 -0.24 0.42 -1.34 0.00 0.00 175.55 173.98 1qvy s ILE 129 N 0.67 1.99 -0.13 3.14 1.01 -0.13 -0.45 121.20 127.30 1qvy s ILE 129 Ca -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1qvy s ILE 129 Cb -0.15 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1qvy s ILE 129 CO 0.02 0.55 -0.04 -1.58 0.00 0.00 0.00 174.94 173.90 1qvy s GLN 130 N 0.12 1.15 -0.19 2.79 0.74 -0.39 -0.97 119.66 122.91 1qvy s GLN 130 Ca -0.11 -0.25 -0.05 0.00 0.05 0.00 0.00 55.36 54.99 1qvy s GLN 130 Cb -0.16 -1.60 -0.03 0.00 1.10 0.00 0.00 33.01 32.32 1qvy s GLN 130 CO 0.06 -0.37 0.01 -1.01 -0.55 0.00 0.00 175.29 173.44 1qvy s HIS 131 N 1.78 3.09 -0.12 1.67 3.76 0.00 -1.45 115.29 124.02 1qvy s HIS 131 Ca 0.03 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1qvy s HIS 131 Cb -0.14 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1qvy s HIS 131 CO -0.07 -0.08 0.04 0.99 -0.85 0.00 0.00 174.74 174.77 1qvy s THR 132 N 0.68 4.64 0.11 1.30 2.01 -0.05 -0.85 115.64 123.47 1qvy s THR 132 Ca 0.00 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1qvy s THR 132 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1qvy s THR 132 CO 0.02 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.01 1qvy s TYR 133 N -0.58 1.75 -0.11 4.92 1.51 0.95 -0.56 117.35 125.23 1qvy s TYR 133 Ca 0.10 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1qvy s TYR 133 Cb -0.12 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1qvy s TYR 133 CO 0.02 0.21 -0.12 0.50 -1.11 0.00 0.00 175.55 175.05 1qvy s ARG 134 N -2.02 1.90 -1.72 -0.62 3.52 -0.19 -1.21 118.95 118.60 1qvy s ARG 134 Ca 0.07 -0.42 -0.14 0.00 -0.13 0.00 0.00 55.73 55.11 1qvy s ARG 134 Cb -0.09 -1.74 0.13 0.00 -1.56 0.00 0.00 34.95 31.69 1qvy s ARG 134 CO 0.04 -0.15 0.40 1.63 -0.81 0.00 0.00 175.30 176.41 1qvy n LYS 135 N 4.51 -1.23 -0.69 5.12 5.02 -1.26 -2.12 118.16 127.51 1qvy n LYS 135 Ca -0.17 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1qvy n LYS 135 Cb 0.51 -4.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 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 -1.69 0.84 3.53 0.72 0.00 -1.26 -5.02 105.19 102.31 1qvy n GLY 136 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.37 3.88 0.10 1.61 -7.23 -0.90 -5.05 120.40 109.43 1qvy s VAL 137 Ca 0.00 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.48 1qvy s VAL 137 Cb 0.00 -2.67 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 1qvy s VAL 137 CO 0.00 0.52 1.62 -0.75 -0.31 0.00 0.00 175.10 176.19 1qvy s LYS 138 N 0.04 4.20 -0.00 4.82 2.20 -1.26 -1.02 119.74 128.71 1qvy s LYS 138 Ca 0.00 2.34 0.03 0.00 -0.36 0.00 0.00 55.97 57.97 1qvy s LYS 138 Cb -0.13 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1qvy s LYS 138 CO 0.03 -0.69 0.09 0.44 -0.36 0.00 0.00 175.35 174.85 1qvy n ILE 139 N 4.49 0.00 -3.63 5.43 -5.35 0.28 -4.92 119.36 115.65 1qvy n ILE 139 Ca 0.15 -0.29 -0.15 0.00 -0.27 0.00 0.00 62.75 62.19 1qvy n ILE 139 Cb 0.40 0.78 -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 -1.65 -0.57 -0.08 7.28 3.68 -1.02 -4.99 116.67 119.31 1qvy s ASP 140 Ca 0.00 0.88 0.01 0.00 2.13 0.00 0.00 52.55 55.58 1qvy s ASP 140 Cb 0.02 0.87 0.02 0.00 -1.45 0.00 0.00 42.92 42.37 1qvy s ASP 140 CO 0.10 -0.38 -0.10 -0.54 0.13 0.00 0.00 175.17 174.39 1qvy s LYS 141 N -0.42 1.59 -0.04 4.34 1.02 -1.26 -0.87 119.74 124.10 1qvy s LYS 141 Ca -0.06 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1qvy s LYS 141 Cb -0.03 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.84 1qvy s LYS 141 CO 0.04 -0.09 -0.08 0.95 -0.92 0.00 0.00 175.35 175.25 1qvy s THR 142 N 1.08 0.75 -0.02 2.17 -4.23 -0.53 -5.03 115.64 109.82 1qvy s THR 142 Ca -0.07 -0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1qvy s THR 142 Cb -0.14 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 1qvy s THR 142 CO -0.01 0.25 -0.21 -1.81 -0.54 0.00 0.00 174.62 172.30 1qvy s ASP 143 N 0.49 2.47 -0.06 3.99 1.01 -1.26 -1.26 116.67 122.04 1qvy s ASP 143 Ca -0.08 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.82 1qvy s ASP 143 Cb -0.12 -0.37 0.01 0.00 1.01 0.00 0.00 42.92 43.45 1qvy s ASP 143 CO 0.01 0.24 -0.12 -0.31 0.21 0.00 0.00 175.17 175.20 1qvy s TYR 144 N -0.38 1.47 -0.10 4.23 2.02 0.41 -4.99 117.35 120.02 1qvy s TYR 144 Ca 0.05 -0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 1qvy s TYR 144 Cb -0.09 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1qvy s TYR 144 CO 0.00 -0.27 0.91 -1.64 -1.57 0.00 0.00 175.55 172.98 1qvy s MET 145 N 0.64 4.42 0.00 -0.62 -1.94 -1.26 -0.85 119.30 119.69 1qvy s MET 145 Ca -0.14 1.22 0.00 0.00 -1.71 0.00 0.00 55.69 55.06 1qvy s MET 145 Cb -0.16 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1qvy s MET 145 CO 0.04 -0.21 0.30 1.33 -0.01 0.00 0.00 175.02 176.46 1qvy n VAL 146 N 4.36 0.00 0.00 -6.03 0.24 -0.50 -4.99 118.33 111.42 1qvy n VAL 146 Ca 0.06 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1qvy n VAL 146 Cb 0.50 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.35 0.35 3.17 7.63 0.00 -1.23 -4.94 105.19 110.53 1qvy n GLY 147 Ca 0.00 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1qvy n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qvy s SER 148 N -4.00 2.74 -0.08 1.61 0.01 -1.26 -1.22 113.70 111.50 1qvy s SER 148 Ca 0.00 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1qvy s SER 148 Cb 0.00 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1qvy s SER 148 CO 0.00 0.13 -0.10 -0.31 0.41 0.00 0.00 173.24 173.37 1qvy s TYR 149 N 0.39 1.40 0.47 2.43 2.02 -0.08 -4.99 117.35 118.99 1qvy s TYR 149 Ca -0.17 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 55.90 1qvy s TYR 149 Cb -0.17 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1qvy s TYR 149 CO 0.07 -0.35 0.77 0.20 -1.57 0.00 0.00 175.55 174.68 1qvy s GLY 150 N 1.04 1.53 0.39 0.71 0.00 -1.26 -1.49 107.32 108.24 1qvy s GLY 150 Ca -0.08 -0.50 -0.26 0.00 0.00 0.00 0.00 44.72 43.89 1qvy s GLY 150 CO -0.01 -0.33 1.23 2.56 0.00 0.00 0.00 173.10 176.55 1qvy s PRO 151 N -4.64 4.07 0.10 2.90 0.04 -1.26 -4.79 135.00 131.43 1qvy s PRO 151 Ca 0.47 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 1qvy s PRO 151 Cb -0.10 -2.77 0.08 0.00 0.04 0.00 0.00 34.50 31.74 1qvy s PRO 151 CO 0.43 -0.35 0.81 -0.98 0.04 0.00 0.00 177.00 176.95 1qvy s ARG 152 N -2.18 1.12 0.14 4.56 1.70 -0.75 -4.97 118.95 118.57 1qvy s ARG 152 Ca 0.56 -0.49 -0.14 0.00 -0.47 0.00 0.00 55.73 55.19 1qvy s ARG 152 Cb -0.35 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1qvy s ARG 152 CO 0.44 -0.50 1.63 0.00 -1.08 0.00 0.00 175.30 175.79 1qvy h ALA 153 N 2.00 0.61 -2.65 7.88 0.00 -1.93 -3.42 119.26 121.75 1qvy h ALA 153 Ca -0.25 -0.22 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1qvy h ALA 153 Cb 1.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qvy h ALA 153 CO 0.31 0.33 0.45 -2.00 0.00 0.00 0.00 179.25 178.33 1qvy s GLU 154 N -5.21 4.63 0.72 0.00 2.12 -1.26 -5.02 118.70 114.69 1qvy s GLU 154 Ca -0.13 1.65 -0.16 0.00 0.36 0.00 0.00 54.97 56.70 1qvy s GLU 154 Cb 0.11 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.22 1qvy s GLU 154 CO 0.79 0.13 1.11 -1.91 -0.54 0.00 0.00 175.26 174.84 1qvy n GLU 155 N 2.39 0.59 -3.97 4.30 2.13 -1.26 -4.84 120.64 119.98 1qvy n GLU 155 Ca 0.02 0.26 -0.25 0.00 0.66 0.00 0.00 57.16 57.85 1qvy n GLU 155 Cb 0.47 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.79 1qvy n GLU 155 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1qvy s TYR 156 N -1.77 3.43 0.04 4.31 2.02 0.89 -4.96 117.35 121.30 1qvy s TYR 156 Ca 0.76 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 1qvy s TYR 156 Cb -0.34 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1qvy s TYR 156 CO 0.48 0.51 -0.08 -1.21 -1.57 0.00 0.00 175.55 173.67 1qvy s GLU 157 N -3.34 0.54 0.11 -0.62 2.02 -1.26 -1.35 118.70 114.80 1qvy s GLU 157 Ca 0.34 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1qvy s GLU 157 Cb -0.11 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 1qvy s GLU 157 CO 0.28 0.07 -0.09 -0.59 0.02 0.00 0.00 175.26 174.95 1qvy s PHE 158 N -1.18 1.04 0.00 1.61 -0.12 -0.70 -4.99 117.98 113.63 1qvy s PHE 158 Ca -0.08 -0.78 0.08 0.00 -0.05 0.00 0.00 56.93 56.10 1qvy s PHE 158 Cb -0.09 -0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 1qvy s PHE 158 CO 0.00 -0.04 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.37 1qvy s LEU 159 N -2.86 2.08 0.61 -1.99 2.01 -1.26 -1.24 118.68 116.04 1qvy s LEU 159 Ca 0.11 -0.49 -0.10 0.00 0.01 0.00 0.00 54.13 53.65 1qvy s LEU 159 Cb 0.02 -1.27 -0.03 0.00 0.01 0.00 0.00 46.19 44.92 1qvy s LEU 159 CO -0.02 0.29 1.00 0.42 1.01 0.00 0.00 176.35 179.05 1qvy s THR 160 N -0.65 4.46 0.75 5.49 -4.23 -0.05 -4.97 115.64 116.44 1qvy s THR 160 Ca 0.10 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.12 1qvy s THR 160 Cb -0.10 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.01 1qvy s THR 160 CO -0.00 -0.98 1.24 -2.84 -0.54 0.00 0.00 174.62 171.50 1qvy s PRO 161 N -5.14 1.97 0.34 3.99 0.02 -1.26 -4.39 135.00 130.53 1qvy s PRO 161 Ca 0.54 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 1qvy s PRO 161 Cb -0.11 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1qvy s PRO 161 CO 0.52 -1.99 1.51 0.28 -0.33 0.00 0.00 177.00 176.98 1qvy n VAL 162 N -2.78 1.57 -4.26 3.83 0.31 -1.26 -4.77 118.33 110.97 1qvy n VAL 162 Ca 0.14 -0.39 -0.15 0.00 -0.01 0.00 0.00 64.34 63.93 1qvy n VAL 162 Cb 0.50 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 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 -1.39 1.37 -0.05 5.55 -1.05 -0.27 -4.99 118.70 117.88 1qvy s GLU 163 Ca 0.58 -1.75 0.06 0.00 -0.15 0.00 0.00 54.97 53.72 1qvy s GLU 163 Cb -0.50 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.25 1qvy s GLU 163 CO 0.57 -0.40 -0.24 -1.21 0.95 0.00 0.00 175.26 174.93 1qvy s GLU 164 N -4.01 2.42 0.54 -4.83 2.02 -1.26 -0.65 118.70 112.93 1qvy s GLU 164 Ca 0.38 -0.89 -0.21 0.00 0.02 0.00 0.00 54.97 54.27 1qvy s GLU 164 Cb 0.06 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1qvy s GLU 164 CO 0.15 0.45 1.23 0.00 0.02 0.00 0.00 175.26 177.12 1qvy s ALA 165 N -0.34 2.74 0.90 5.21 0.00 0.12 -4.91 121.76 125.47 1qvy s ALA 165 Ca 0.02 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1qvy s ALA 165 Cb -0.12 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.67 1qvy s ALA 165 CO 0.02 -1.07 1.11 -1.25 0.00 0.00 0.00 175.76 174.57 1qvy s PRO 166 N -3.05 1.23 0.05 0.00 0.04 -1.26 -1.56 135.00 130.45 1qvy s PRO 166 Ca 0.72 0.53 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1qvy s PRO 166 Cb -0.32 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1qvy s PRO 166 CO 0.37 -2.19 -0.07 0.21 0.04 0.00 0.00 177.00 175.37 1qvy s LYS 167 N -5.11 0.55 0.00 4.56 2.20 -1.26 -2.41 119.74 118.27 1qvy s LYS 167 Ca 0.63 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1qvy s LYS 167 Cb -0.16 -0.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 1qvy s LYS 167 CO 0.55 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1qvy n GLY 168 N 1.21 2.69 0.28 5.54 0.00 -1.26 -4.52 105.19 109.12 1qvy n GLY 168 Ca -0.21 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 0.53 0.00 1.61 4.05 -2.00 0.77 114.93 119.89 1qvy h MET 169 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1qvy h MET 169 Cb 0.00 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1qvy h MET 169 CO 0.00 0.35 0.00 1.28 0.23 0.00 0.00 176.91 178.77 1qvy n LEU 170 N -4.91 0.45 -0.00 3.39 4.77 -1.26 -2.73 117.00 116.70 1qvy n LEU 170 Ca 0.13 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1qvy n LEU 170 Cb 0.34 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1qvy n LEU 170 CO 0.22 -0.41 -0.29 0.00 -1.33 0.00 0.00 177.39 175.58 1qvy n ALA 171 N -1.68 4.05 -1.50 -1.18 0.00 0.21 -5.00 120.51 115.40 1qvy n ALA 171 Ca 0.03 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 1qvy n ALA 171 Cb 0.23 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -3.18 2.83 0.00 0.00 0.52 -0.86 -4.83 118.95 113.42 1qvy s ARG 172 Ca 0.02 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 1qvy s ARG 172 Cb 0.15 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.65 1qvy s ARG 172 CO 0.88 -1.19 0.00 0.41 0.02 0.00 0.00 175.30 175.42 1qvy n GLY 173 N -1.42 -0.51 3.89 -3.53 0.00 -0.43 -4.92 105.19 98.27 1qvy n GLY 173 Ca 0.08 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 6.52 -0.01 1.61 1.04 -1.26 -0.80 113.70 116.79 1qvy s SER 174 Ca 0.00 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.08 1qvy s SER 174 Cb 0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 1qvy s SER 174 CO 0.00 0.13 -0.12 -0.31 0.98 0.00 0.00 173.24 173.92 1qvy s TYR 175 N -1.51 1.14 0.04 5.02 1.51 0.30 -4.50 117.35 119.36 1qvy s TYR 175 Ca 0.36 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1qvy s TYR 175 Cb -0.13 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1qvy s TYR 175 CO 0.21 -0.04 0.09 -1.54 -1.11 0.00 0.00 175.55 173.16 1qvy s SER 176 N -0.22 5.63 -0.11 2.29 1.04 -0.35 -1.31 113.70 120.68 1qvy s SER 176 Ca 0.03 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1qvy s SER 176 Cb -0.06 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.51 1qvy s SER 176 CO -0.00 0.22 -0.10 -0.63 0.98 0.00 0.00 173.24 173.71 1qvy s ILE 177 N -1.31 1.13 -0.27 -1.02 1.01 0.75 -0.03 121.20 121.47 1qvy s ILE 177 Ca 0.27 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 1qvy s ILE 177 Cb -0.12 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1qvy s ILE 177 CO 0.19 0.38 0.16 -0.54 0.00 0.00 0.00 174.94 175.13 1qvy s LYS 178 N 1.44 3.88 -0.03 2.79 1.02 -0.03 -1.43 119.74 127.39 1qvy s LYS 178 Ca 0.01 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1qvy s LYS 178 Cb -0.13 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1qvy s LYS 178 CO -0.06 -0.18 -0.09 -1.12 -0.92 0.00 0.00 175.35 172.98 1qvy s SER 179 N 1.71 4.43 -0.01 2.83 0.01 0.26 -0.82 113.70 122.11 1qvy s SER 179 Ca 0.07 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1qvy s SER 179 Cb -0.16 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1qvy s SER 179 CO 0.09 0.32 -0.03 -0.13 0.41 0.00 0.00 173.24 173.90 1qvy s ARG 180 N -1.04 0.30 -0.15 12.44 0.52 -0.14 -1.21 118.95 129.66 1qvy s ARG 180 Ca 0.14 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1qvy s ARG 180 Cb -0.11 -0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.06 1qvy s ARG 180 CO 0.04 0.05 -0.20 0.12 0.02 0.00 0.00 175.30 175.32 1qvy s PHE 181 N 0.08 2.60 0.04 -0.53 5.99 0.01 -0.96 117.98 125.21 1qvy s PHE 181 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 56.93 55.51 1qvy s PHE 181 Cb -0.03 -1.80 -0.00 0.00 0.00 0.00 0.00 43.02 41.18 1qvy s PHE 181 CO -0.00 -0.69 0.04 -2.37 -0.00 0.00 0.00 175.22 172.20 1qvy n THR 182 N 4.38 0.00 -3.35 0.12 5.66 -0.10 -1.82 114.28 119.17 1qvy n THR 182 Ca -0.20 -0.26 -0.01 0.00 -3.05 0.00 0.00 64.05 60.53 1qvy n THR 182 Cb 0.51 0.14 -0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 -2.56 -0.18 0.12 1.09 5.68 -1.26 -0.95 116.55 118.50 1qvy n ASP 183 Ca 0.01 -1.17 0.18 0.00 -0.50 0.00 0.00 54.79 53.30 1qvy n ASP 183 Cb 0.07 0.31 0.75 0.00 -1.14 0.00 0.00 41.12 41.12 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 0.20 0.00 -0.05 -1.12 3.32 -1.34 -0.20 116.42 117.23 1qvy h ASP 184 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qvy h ASP 184 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1qvy h ASP 184 CO 0.04 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.03 1qvy n ASP 185 N -4.05 1.38 -1.69 6.45 8.00 -1.26 -4.95 116.55 120.44 1qvy n ASP 185 Ca 0.05 -1.50 -0.18 0.00 0.71 0.00 0.00 54.79 53.86 1qvy n ASP 185 Cb 0.45 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.09 -1.35 -1.92 -1.24 5.02 -0.09 -4.97 118.16 113.70 1qvy n LYS 186 Ca 0.19 1.04 -0.41 0.00 -2.02 0.00 0.00 58.31 57.10 1qvy n LYS 186 Cb 0.32 -5.41 -0.01 0.00 -0.02 0.00 0.00 35.03 29.91 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 -2.78 2.35 -1.15 -0.18 2.01 -1.26 -4.83 115.64 109.80 1qvy s THR 187 Ca 0.00 0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 1qvy s THR 187 Cb 0.00 -3.21 0.14 0.00 0.01 0.00 0.00 72.50 69.44 1qvy s THR 187 CO 0.00 0.07 1.41 -0.62 -0.69 0.00 0.00 174.62 174.78 1qvy s ASP 188 N 0.00 6.91 0.14 3.53 2.15 -1.26 -4.04 116.67 124.10 1qvy s ASP 188 Ca 0.55 -2.63 -0.17 0.00 0.43 0.00 0.00 52.55 50.73 1qvy s ASP 188 Cb -0.44 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 39.73 1qvy s ASP 188 CO 0.53 -0.91 1.76 0.45 -0.17 0.00 0.00 175.17 176.83 1qvy h HIS 189 N 7.73 0.45 -1.86 -5.34 3.86 -1.71 -3.44 115.15 114.84 1qvy h HIS 189 Ca 0.29 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1qvy h HIS 189 Cb 0.91 -0.15 -0.22 0.00 1.06 0.00 0.00 27.41 29.01 1qvy h HIS 189 CO 1.17 0.33 0.25 -1.17 0.86 0.00 0.00 177.93 179.37 1qvy s LEU 190 N -10.06 -0.64 -0.05 2.43 2.96 -1.19 -4.68 118.68 107.45 1qvy s LEU 190 Ca -0.13 1.16 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 1qvy s LEU 190 Cb 0.10 2.28 -0.01 0.00 0.50 0.00 0.00 46.19 49.05 1qvy s LEU 190 CO 0.72 -0.26 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.80 1qvy s SER 191 N 0.10 3.02 0.14 3.68 0.01 -1.26 -0.81 113.70 118.59 1qvy s SER 191 Ca -0.00 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.60 1qvy s SER 191 Cb -0.04 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.49 1qvy s SER 191 CO -0.00 0.26 0.42 -1.66 0.41 0.00 0.00 173.24 172.66 1qvy s TRP 192 N -0.25 -0.12 -0.04 2.43 -2.14 -0.35 -5.01 118.94 113.45 1qvy s TRP 192 Ca -0.01 -0.21 0.03 0.00 2.66 0.00 0.00 56.10 58.58 1qvy s TRP 192 Cb -0.13 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 1qvy s TRP 192 CO 0.03 -0.75 -0.13 -2.00 -2.66 0.00 0.00 176.95 171.44 1qvy s GLU 193 N -3.84 1.39 0.25 3.25 2.12 -1.26 -0.58 118.70 120.04 1qvy s GLU 193 Ca 0.06 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.88 1qvy s GLU 193 Cb 0.01 -1.23 -0.01 0.00 0.26 0.00 0.00 34.13 33.16 1qvy s GLU 193 CO -0.09 0.14 0.38 1.67 -0.54 0.00 0.00 175.26 176.82 1qvy s TRP 194 N 0.24 0.74 0.04 5.30 1.48 -0.51 -3.68 118.94 122.54 1qvy s TRP 194 Ca -0.06 -1.03 0.01 0.00 -1.06 0.00 0.00 56.10 53.96 1qvy s TRP 194 Cb -0.11 -0.09 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 1qvy s TRP 194 CO 0.02 -0.92 -0.05 -0.80 -4.06 0.00 0.00 176.95 171.14 1qvy s ASN 195 N -3.11 0.56 0.02 -2.66 -0.87 -1.26 -0.17 114.94 107.45 1qvy s ASN 195 Ca 0.29 -0.61 0.09 0.00 -1.57 0.00 0.00 52.86 51.06 1qvy s ASN 195 Cb 0.02 0.09 -0.03 0.00 -0.02 0.00 0.00 41.25 41.31 1qvy s ASN 195 CO 0.12 -0.31 -0.26 -0.76 -2.57 0.00 0.00 177.10 173.33 1qvy s LEU 196 N -1.77 2.16 -0.20 0.60 1.02 -0.43 -1.56 118.68 118.50 1qvy s LEU 196 Ca -0.09 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.55 1qvy s LEU 196 Cb -0.07 -1.33 0.03 0.00 0.02 0.00 0.00 46.19 44.84 1qvy s LEU 196 CO -0.02 0.29 -0.17 -0.89 0.02 0.00 0.00 176.35 175.58 1qvy s THR 197 N -0.73 2.03 -0.23 5.49 2.01 0.29 -0.54 115.64 123.96 1qvy s THR 197 Ca 0.11 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.86 1qvy s THR 197 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1qvy s THR 197 CO 0.01 0.38 0.44 -0.63 -0.69 0.00 0.00 174.62 174.13 1qvy s ILE 198 N 1.26 5.15 0.22 1.82 -1.09 0.02 -0.99 121.20 127.59 1qvy s ILE 198 Ca 0.01 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.28 1qvy s ILE 198 Cb -0.15 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1qvy s ILE 198 CO -0.11 0.18 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.54 1qvy s ARG 199 N 1.72 1.37 0.52 2.79 1.81 -0.45 -1.31 118.95 125.41 1qvy s ARG 199 Ca 0.20 -1.63 0.23 0.00 -1.72 0.00 0.00 55.73 52.81 1qvy s ARG 199 Cb -0.15 -1.10 1.43 0.00 -0.45 0.00 0.00 34.95 34.68 1qvy s ARG 199 CO 0.09 0.14 2.12 0.00 -0.68 0.00 0.00 175.30 176.97 1qvy h ARG 200 N 2.51 0.00 -3.81 3.54 3.08 -1.96 0.99 114.38 118.72 1qvy h ARG 200 Ca -0.38 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 1qvy h ARG 200 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 1qvy h ARG 200 CO 0.63 0.08 -0.36 0.34 -1.07 0.00 0.00 179.97 179.60 1qvy s ASP 201 N -6.49 0.10 0.38 7.04 2.15 -1.26 -4.60 116.67 113.99 1qvy s ASP 201 Ca -0.04 -0.68 0.18 0.00 0.43 0.00 0.00 52.55 52.45 1qvy s ASP 201 Cb 0.15 0.36 0.75 0.00 -0.30 0.00 0.00 42.92 43.88 1qvy s ASP 201 CO 0.61 -0.76 1.78 -0.50 -0.17 0.00 0.00 175.17 176.13 1qvy h TRP 202 N 2.71 0.00 0.00 -5.34 4.06 -1.92 -3.38 115.95 112.07 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 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1qvy h TRP 202 CO 0.42 0.36 -0.24 0.36 -3.56 0.00 0.00 178.44 175.78 1qvy n LYS 203 N -3.64 2.13 0.00 0.49 2.85 -1.26 -4.97 118.16 113.76 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 0.47 -0.62 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 1qvy n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10