#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxq n GLY 72 N 0.00 1.95 3.63 0.00 0.00 -1.26 -5.10 105.19 104.41 1oxq n GLY 72 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1oxq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxq n ALA 73 N -3.00 0.05 -2.44 4.61 0.00 -1.26 -5.03 120.51 113.44 1oxq n ALA 73 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1oxq n ALA 73 Cb 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 1oxq n ALA 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1oxq s THR 74 N -1.70 2.30 0.28 0.00 -4.23 -1.26 -5.11 115.64 105.93 1oxq s THR 74 Ca 0.75 -2.15 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 1oxq s THR 74 Cb -0.36 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.22 1oxq s THR 74 CO 0.48 -0.25 1.62 -0.76 -0.54 0.00 0.00 174.62 175.16 1oxq s LEU 75 N -2.96 4.35 0.57 4.79 1.02 -1.26 -4.99 118.68 120.19 1oxq s LEU 75 Ca 0.23 2.94 -0.18 0.00 0.02 0.00 0.00 54.13 57.14 1oxq s LEU 75 Cb -0.06 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 1oxq s LEU 75 CO 0.11 -0.93 1.11 -0.44 0.02 0.00 0.00 176.35 176.23 1oxq s SER 76 N 0.61 5.60 0.10 2.29 0.01 -1.26 -4.97 113.70 116.09 1oxq s SER 76 Ca 0.65 2.10 0.23 0.00 1.31 0.00 0.00 55.95 60.24 1oxq s SER 76 Cb -0.48 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.30 1oxq s SER 76 CO 0.45 -1.29 1.11 0.54 0.41 0.00 0.00 173.24 174.45 1oxq n ARG 77 N -1.61 0.37 -2.45 12.44 1.74 -1.26 -4.93 116.66 120.97 1oxq n ARG 77 Ca 0.11 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1oxq n ARG 77 Cb 0.51 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1oxq n ARG 77 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1oxq s GLY 78 N -3.84 2.87 0.46 -0.13 0.00 -1.26 -5.01 107.32 100.41 1oxq s GLY 78 Ca 0.03 0.89 -0.24 0.00 0.00 0.00 0.00 44.72 45.41 1oxq s GLY 78 CO 0.78 1.67 1.28 -4.14 0.00 0.00 0.00 173.10 172.69 1oxq s PRO 79 N -0.70 3.66 0.23 2.90 0.02 -1.26 -4.93 135.00 134.92 1oxq s PRO 79 Ca 0.49 2.06 -0.08 0.00 0.02 0.00 0.00 61.00 63.49 1oxq s PRO 79 Cb -0.31 -2.50 0.20 0.00 0.02 0.00 0.00 34.50 31.91 1oxq s PRO 79 CO 0.38 -0.72 1.88 0.00 -0.33 0.00 0.00 177.00 178.21 1oxq h ALA 80 N 2.12 1.11 -2.70 -1.55 0.00 -0.10 -3.36 119.26 114.78 1oxq h ALA 80 Ca -0.50 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1oxq h ALA 80 Cb 1.26 -0.35 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 1oxq h ALA 80 CO 0.60 0.56 -0.79 0.12 0.00 0.00 0.00 179.25 179.75 1oxq s PHE 81 N -6.01 2.26 0.29 0.00 2.19 0.19 -4.98 117.98 111.92 1oxq s PHE 81 Ca -0.13 -2.81 -0.01 0.00 0.33 0.00 0.00 56.93 54.31 1oxq s PHE 81 Cb 0.16 -1.76 0.46 0.00 -1.31 0.00 0.00 43.02 40.57 1oxq s PHE 81 CO 0.81 -0.69 1.92 -1.35 1.83 0.00 0.00 175.22 177.74 1oxq h PRO 82 N 5.52 1.08 -1.00 10.12 0.11 -1.78 0.11 132.00 146.17 1oxq h PRO 82 Ca 0.21 -0.07 0.25 0.00 0.11 0.00 0.00 66.00 66.50 1oxq h PRO 82 Cb 0.84 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 1oxq h PRO 82 CO 0.53 0.72 0.65 0.78 -0.21 0.00 0.00 178.00 180.47 1oxq h GLY 83 N 1.12 1.02 -1.61 -0.55 0.00 -1.94 0.37 103.07 101.47 1oxq h GLY 83 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1oxq h GLY 83 CO -0.12 -0.08 0.00 1.03 0.00 0.00 0.00 176.54 177.37 1oxq n MET 84 N -4.56 2.19 0.31 4.80 2.81 0.02 -3.93 117.12 118.76 1oxq n MET 84 Ca 0.23 -1.23 0.19 0.00 -1.81 0.00 0.00 57.70 55.08 1oxq n MET 84 Cb 0.83 -1.53 0.96 0.00 -0.71 0.00 0.00 33.22 32.77 1oxq n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1oxq h GLY 85 N 4.96 0.00 -5.59 3.03 0.00 -0.30 -3.42 103.07 101.75 1oxq h GLY 85 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1oxq h GLY 85 CO 0.10 0.00 0.13 -0.45 0.00 0.00 0.00 176.54 176.32 1oxq s SER 86 N -5.50 6.81 0.26 0.19 0.15 -1.25 -4.96 113.70 109.39 1oxq s SER 86 Ca -0.03 0.98 -0.05 0.00 0.70 0.00 0.00 55.95 57.56 1oxq s SER 86 Cb 0.12 -2.38 0.29 0.00 -1.71 0.00 0.00 66.02 62.34 1oxq s SER 86 CO 0.48 -0.23 1.89 -0.08 1.20 0.00 0.00 173.24 176.51 1oxq h GLU 87 N 7.19 1.20 -0.22 5.44 4.81 -1.89 -1.38 114.58 129.74 1oxq h GLU 87 Ca -0.35 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1oxq h GLU 87 Cb 1.16 -0.25 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 1oxq h GLU 87 CO 0.78 0.85 -0.31 0.93 -0.73 0.00 0.00 179.01 180.53 1oxq h GLU 88 N 1.21 -0.32 -0.78 1.92 5.08 -1.95 0.41 114.58 120.16 1oxq h GLU 88 Ca 0.31 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1oxq h GLU 88 Cb -0.02 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1oxq h GLU 88 CO -0.06 -0.21 0.42 -0.07 -1.00 0.00 0.00 179.01 178.10 1oxq h LEU 89 N -0.33 0.97 -0.33 1.33 3.38 -1.80 0.91 115.31 119.44 1oxq h LEU 89 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1oxq h LEU 89 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1oxq h LEU 89 CO -0.41 0.79 0.05 0.03 0.09 0.00 0.00 178.44 178.99 1oxq h ARG 90 N 1.09 0.55 -0.03 1.13 3.08 -0.50 -1.08 114.38 118.62 1oxq h ARG 90 Ca 0.28 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1oxq h ARG 90 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1oxq h ARG 90 CO -0.04 0.64 0.02 1.25 -1.07 0.00 0.00 179.97 180.77 1oxq h LEU 91 N 0.38 0.04 -1.45 3.04 6.46 0.03 -2.41 115.31 121.40 1oxq h LEU 91 Ca 0.10 -0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.06 1oxq h LEU 91 Cb 0.36 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.21 1oxq h LEU 91 CO 0.01 0.03 0.60 0.00 -0.62 0.00 0.00 178.44 178.46 1oxq h ALA 92 N 1.01 2.15 0.00 1.25 0.00 -0.62 0.86 119.26 123.91 1oxq h ALA 92 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oxq h ALA 92 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oxq h ALA 92 CO -0.00 -0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.47 1oxq h SER 93 N 0.45 0.00 -0.47 0.00 4.64 -0.66 -2.49 113.55 115.02 1oxq h SER 93 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1oxq h SER 93 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1oxq h SER 93 CO -0.20 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.25 1oxq n PHE 94 N -2.51 1.24 -0.27 4.77 3.72 0.30 -4.45 117.46 120.26 1oxq n PHE 94 Ca -0.02 -0.47 0.16 0.00 -0.05 0.00 0.00 57.45 57.08 1oxq n PHE 94 Cb 0.05 -0.26 0.45 0.00 -0.94 0.00 0.00 39.48 38.78 1oxq n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1oxq h TYR 95 N 3.02 0.71 -0.40 1.38 -0.00 -1.62 -1.63 116.97 118.43 1oxq h TYR 95 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.73 58.66 1oxq h TYR 95 Cb 1.28 -0.22 -0.05 0.00 -0.00 0.00 0.00 36.73 37.74 1oxq h TYR 95 CO 0.65 0.20 0.05 -3.47 -0.00 0.00 0.00 178.16 175.58 1oxq n ASP 96 N -4.57 3.80 -4.69 0.10 2.03 -1.26 -5.01 116.55 106.95 1oxq n ASP 96 Ca 0.20 -3.24 -0.43 0.00 0.52 0.00 0.00 54.79 51.84 1oxq n ASP 96 Cb 0.63 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 1oxq n ASP 96 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1oxq n TRP 97 N -0.56 2.61 -1.69 -0.67 -0.00 -0.62 -4.89 117.44 111.62 1oxq n TRP 97 Ca 0.29 -0.10 -0.41 0.00 -0.00 0.00 0.00 57.50 57.28 1oxq n TRP 97 Cb 1.05 -2.71 0.02 0.00 -0.00 0.00 0.00 31.31 29.66 1oxq n TRP 97 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1oxq n PRO 98 N 5.40 1.81 0.00 5.87 -0.02 -1.26 -4.90 135.00 141.90 1oxq n PRO 98 Ca 0.18 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 1oxq n PRO 98 Cb 0.36 -2.35 0.63 0.00 -0.02 0.00 0.00 33.50 32.12 1oxq n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oxq n LEU 99 N 0.12 0.75 -0.03 2.45 4.77 -1.26 -2.37 117.00 121.43 1oxq n LEU 99 Ca 0.07 -0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1oxq n LEU 99 Cb 0.40 -0.08 0.49 0.00 -2.33 0.00 0.00 43.42 41.90 1oxq n LEU 99 CO 0.58 0.13 0.76 0.35 -1.33 0.00 0.00 177.39 177.88 1oxq n THR 100 N -0.58 0.00 -3.29 -5.08 -2.24 -1.26 -4.84 114.28 96.98 1oxq n THR 100 Ca 0.18 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 1oxq n THR 100 Cb 0.27 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.29 1oxq n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oxq s ALA 101 N -2.87 3.56 -0.43 6.98 0.00 -1.00 -4.98 121.76 123.01 1oxq s ALA 101 Ca 0.17 -0.50 0.15 0.00 0.00 0.00 0.00 51.96 51.78 1oxq s ALA 101 Cb 0.19 -2.77 0.80 0.00 0.00 0.00 0.00 23.12 21.34 1oxq s ALA 101 CO 0.58 -0.47 1.72 0.39 0.00 0.00 0.00 175.76 177.98 1oxq n GLU 102 N 4.87 4.63 -4.44 0.00 4.71 -1.26 -4.82 120.64 124.32 1oxq n GLU 102 Ca -0.06 -3.11 -0.34 0.00 -0.01 0.00 0.00 57.16 53.65 1oxq n GLU 102 Cb 0.50 -2.18 -0.14 0.00 -1.01 0.00 0.00 31.44 28.61 1oxq n GLU 102 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1oxq s VAL 103 N -2.58 3.04 0.29 2.62 1.01 -1.26 -4.02 120.40 119.50 1oxq s VAL 103 Ca 0.54 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1oxq s VAL 103 Cb 0.40 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1oxq s VAL 103 CO 0.18 0.50 1.42 -2.84 0.00 0.00 0.00 175.10 174.36 1oxq s PRO 104 N 0.80 4.26 0.36 2.72 0.02 -1.26 -4.92 135.00 136.98 1oxq s PRO 104 Ca -0.04 2.34 0.09 0.00 0.02 0.00 0.00 61.00 63.41 1oxq s PRO 104 Cb -0.15 -3.07 0.82 0.00 0.02 0.00 0.00 34.50 32.12 1oxq s PRO 104 CO 0.01 -0.39 1.89 -1.35 -0.33 0.00 0.00 177.00 176.83 1oxq h PRO 105 N 4.31 0.67 -0.44 5.54 0.11 -1.97 -1.89 132.00 138.33 1oxq h PRO 105 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1oxq h PRO 105 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1oxq h PRO 105 CO 0.73 0.44 0.18 0.93 -0.21 0.00 0.00 178.00 180.07 1oxq h GLU 106 N 0.69 0.62 -0.29 1.05 3.07 -1.95 -0.22 114.58 117.55 1oxq h GLU 106 Ca 0.41 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 1oxq h GLU 106 Cb 0.64 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1oxq h GLU 106 CO -0.18 0.51 -0.19 1.25 -1.40 0.00 0.00 179.01 179.01 1oxq h LEU 107 N 0.62 0.67 -0.23 1.33 5.85 -1.73 -1.65 115.31 120.18 1oxq h LEU 107 Ca 0.15 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1oxq h LEU 107 Cb 0.12 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1oxq h LEU 107 CO -0.02 0.96 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.96 1oxq h LEU 108 N 0.39 0.40 -0.90 2.25 3.38 -1.20 -2.26 115.31 117.37 1oxq h LEU 108 Ca 0.06 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1oxq h LEU 108 Cb 0.73 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1oxq h LEU 108 CO 0.05 0.62 -0.33 0.00 0.09 0.00 0.00 178.44 178.87 1oxq h ALA 109 N 0.79 1.07 -0.37 1.53 0.00 -1.10 -0.80 119.26 120.38 1oxq h ALA 109 Ca 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1oxq h ALA 109 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1oxq h ALA 109 CO 0.01 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 1oxq h ALA 110 N 1.30 1.31 -0.18 0.00 0.00 -1.19 -2.41 119.26 118.09 1oxq h ALA 110 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1oxq h ALA 110 Cb 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1oxq h ALA 110 CO 0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1oxq n ALA 111 N -2.48 2.60 -0.31 0.00 0.00 -0.76 -4.86 120.51 114.70 1oxq n ALA 111 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1oxq n ALA 111 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1oxq n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oxq n GLY 112 N 0.60 0.72 3.82 0.00 0.00 -0.91 -4.90 105.19 104.52 1oxq n GLY 112 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1oxq n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oxq s PHE 113 N -2.66 3.78 0.17 1.61 0.08 -0.38 -1.11 117.98 119.46 1oxq s PHE 113 Ca 0.00 1.17 0.10 0.00 0.12 0.00 0.00 56.93 58.32 1oxq s PHE 113 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1oxq s PHE 113 CO 0.00 0.60 -0.19 -0.59 -0.10 0.00 0.00 175.22 174.94 1oxq s PHE 114 N -1.06 2.45 0.16 0.36 -0.12 0.40 -3.50 117.98 116.66 1oxq s PHE 114 Ca 0.27 -0.30 -0.30 0.00 -0.05 0.00 0.00 56.93 56.55 1oxq s PHE 114 Cb -0.18 -1.22 -0.07 0.00 -0.63 0.00 0.00 43.02 40.91 1oxq s PHE 114 CO 0.17 0.48 1.12 -1.58 -0.05 0.00 0.00 175.22 175.35 1oxq s HIS 115 N -1.57 3.56 -0.27 3.49 5.65 -1.26 -1.43 115.29 123.46 1oxq s HIS 115 Ca 0.21 1.55 0.18 0.00 0.25 0.00 0.00 55.06 57.26 1oxq s HIS 115 Cb -0.09 -3.30 0.15 0.00 -1.18 0.00 0.00 32.58 28.16 1oxq s HIS 115 CO 0.11 -0.73 1.45 1.79 -0.65 0.00 0.00 174.74 176.72 1oxq h THR 116 N 3.86 0.48 0.00 0.89 1.35 -1.65 -3.47 112.91 114.36 1oxq h THR 116 Ca -0.44 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1oxq h THR 116 Cb 1.21 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1oxq h THR 116 CO 0.74 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1oxq n GLY 117 N 1.19 0.98 3.58 5.82 0.00 -1.26 -5.08 105.19 110.42 1oxq n GLY 117 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1oxq n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oxq s HIS 118 N -1.39 3.23 0.00 1.61 3.76 -1.26 -4.97 115.29 116.27 1oxq s HIS 118 Ca 0.00 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1oxq s HIS 118 Cb 0.00 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 31.10 1oxq s HIS 118 CO 0.00 -0.30 0.00 1.04 -0.85 0.00 0.00 174.74 174.63 1oxq n GLN 119 N 5.32 0.00 -1.22 1.40 3.00 -1.26 -1.84 117.38 122.78 1oxq n GLN 119 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.75 1oxq n GLN 119 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.88 1oxq n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1oxq n ASP 120 N 3.60 3.97 -4.72 1.08 5.75 -1.26 -4.48 116.55 120.49 1oxq n ASP 120 Ca 0.00 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.59 1oxq n ASP 120 Cb 0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.43 1oxq n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1oxq s LYS 121 N -3.44 4.52 0.21 0.11 1.02 -0.77 -4.36 119.74 117.03 1oxq s LYS 121 Ca 0.50 1.19 0.09 0.00 0.02 0.00 0.00 55.97 57.77 1oxq s LYS 121 Cb 0.43 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1oxq s LYS 121 CO 0.01 0.05 -0.16 0.14 -0.92 0.00 0.00 175.35 174.47 1oxq s VAL 122 N 0.72 1.87 0.03 3.17 -7.23 0.68 -1.66 120.40 117.98 1oxq s VAL 122 Ca 0.45 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1oxq s VAL 122 Cb -0.20 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1oxq s VAL 122 CO 0.24 -0.53 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.28 1oxq s ARG 123 N -3.52 0.62 0.24 4.82 0.52 -0.52 -1.07 118.95 120.04 1oxq s ARG 123 Ca 0.23 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1oxq s ARG 123 Cb -0.02 -0.51 -0.09 0.00 0.52 0.00 0.00 34.95 34.85 1oxq s ARG 123 CO 0.08 0.12 1.05 0.00 0.02 0.00 0.00 175.30 176.57 1oxq h PHE 125 N 4.32 0.00 0.00 0.00 -0.00 -1.42 -0.89 116.94 118.94 1oxq h PHE 125 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1oxq h PHE 125 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1oxq h PHE 125 CO 0.61 0.20 -0.52 0.34 -0.00 0.00 0.00 178.31 178.94 1oxq n PHE 126 N -3.70 0.67 1.03 6.09 -0.00 -1.26 0.54 117.46 120.83 1oxq n PHE 126 Ca -0.01 0.29 0.12 0.00 -0.00 0.00 0.00 57.45 57.85 1oxq n PHE 126 Cb 0.32 -0.66 0.30 0.00 -0.00 0.00 0.00 39.48 39.44 1oxq n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1oxq n TYR 128 N -1.41 0.00 -1.67 0.00 9.36 -0.34 -4.94 117.16 118.17 1oxq n TYR 128 Ca 0.06 0.00 -0.46 0.00 3.32 0.00 0.00 57.90 60.82 1oxq n TYR 128 Cb 0.34 -1.84 -0.04 0.00 -0.63 0.00 0.00 39.34 37.16 1oxq n TYR 128 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oxq n GLY 129 N -0.39 1.13 3.41 2.98 0.00 -1.26 -4.48 105.19 106.57 1oxq n GLY 129 Ca -0.05 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.30 1oxq n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oxq s GLY 130 N 1.08 1.61 0.07 -0.02 0.00 -1.26 -0.75 107.32 108.05 1oxq s GLY 130 Ca 0.80 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1oxq s GLY 130 CO 0.39 -0.08 -0.09 1.08 0.00 0.00 0.00 173.10 174.40 1oxq s LEU 131 N 0.48 2.34 0.00 0.66 1.43 -0.23 -4.97 118.68 118.39 1oxq s LEU 131 Ca -0.07 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1oxq s LEU 131 Cb -0.15 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1oxq s LEU 131 CO 0.04 -0.25 0.16 0.00 0.23 0.00 0.00 176.35 176.53 1oxq n GLN 132 N 0.93 0.23 -3.64 1.70 10.64 -1.26 -0.23 117.38 125.74 1oxq n GLN 132 Ca -0.19 -0.83 -0.23 0.00 -1.83 0.00 0.00 57.00 53.92 1oxq n GLN 132 Cb 0.56 0.82 0.06 0.00 -0.86 0.00 0.00 30.24 30.83 1oxq n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1oxq n SER 133 N -1.90 -3.93 -4.73 2.61 7.64 -1.26 -4.95 113.62 107.10 1oxq n SER 133 Ca -0.00 -0.67 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 1oxq n SER 133 Cb 0.18 -4.63 -0.03 0.00 -1.01 0.00 0.00 64.21 58.73 1oxq n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1oxq s TRP 134 N -3.39 3.11 0.18 1.43 0.52 -1.26 -5.03 118.94 114.49 1oxq s TRP 134 Ca 0.34 0.97 0.09 0.00 0.02 0.00 0.00 56.10 57.52 1oxq s TRP 134 Cb -0.16 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.34 1oxq s TRP 134 CO 0.77 -2.63 -0.19 0.15 0.02 0.00 0.00 176.95 175.06 1oxq s LYS 135 N 0.22 1.35 -0.20 4.98 1.02 -1.26 -4.20 119.74 121.65 1oxq s LYS 135 Ca 0.62 -1.46 -0.41 0.00 0.02 0.00 0.00 55.97 54.73 1oxq s LYS 135 Cb -0.40 -1.43 -0.18 0.00 -0.52 0.00 0.00 37.83 35.29 1oxq s LYS 135 CO 0.38 0.29 1.48 -2.13 -0.92 0.00 0.00 175.35 174.45 1oxq n ARG 136 N 0.19 0.61 -0.03 1.68 0.63 -1.26 -1.49 116.66 117.00 1oxq n ARG 136 Ca -0.12 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1oxq n ARG 136 Cb 0.57 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1oxq n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oxq n GLY 137 N 3.22 0.39 3.73 5.14 0.00 -1.26 -5.05 105.19 111.36 1oxq n GLY 137 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1oxq n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oxq s ASP 138 N -2.40 6.70 -0.37 1.61 1.01 -0.55 -5.00 116.67 117.66 1oxq s ASP 138 Ca 0.00 2.56 -0.12 0.00 0.71 0.00 0.00 52.55 55.71 1oxq s ASP 138 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 1oxq s ASP 138 CO 0.00 -0.69 0.22 -0.62 0.21 0.00 0.00 175.17 174.29 1oxq s ASP 139 N 0.64 5.82 0.41 0.27 -1.08 -1.26 -4.98 116.67 116.49 1oxq s ASP 139 Ca 0.62 -0.90 0.16 0.00 -0.52 0.00 0.00 52.55 51.90 1oxq s ASP 139 Cb -0.41 -2.06 1.03 0.00 -1.46 0.00 0.00 42.92 40.03 1oxq s ASP 139 CO 0.38 -0.37 1.88 -0.65 0.52 0.00 0.00 175.17 176.92 1oxq h PRO 140 N 8.47 0.44 -0.29 4.34 0.11 -1.94 0.20 132.00 143.33 1oxq h PRO 140 Ca -0.27 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1oxq h PRO 140 Cb 1.11 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1oxq h PRO 140 CO 0.68 0.29 -0.11 -1.49 -0.21 0.00 0.00 178.00 177.15 1oxq h TRP 141 N 0.45 0.67 -0.44 0.65 -0.00 -1.90 0.12 115.95 115.49 1oxq h TRP 141 Ca 0.43 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.89 59.13 1oxq h TRP 141 Cb 0.99 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.97 1oxq h TRP 141 CO -0.00 0.81 0.16 1.15 -0.00 0.00 0.00 178.44 180.55 1oxq h THR 142 N 0.34 1.21 -0.47 1.49 2.02 -1.71 -1.46 112.91 114.34 1oxq h THR 142 Ca 0.07 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1oxq h THR 142 Cb 0.61 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1oxq h THR 142 CO 0.04 0.25 0.15 -0.33 0.37 0.00 0.00 175.52 175.99 1oxq h GLU 143 N 0.57 0.73 -0.86 6.66 4.39 -0.54 -0.12 114.58 125.40 1oxq h GLU 143 Ca 0.14 -0.16 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1oxq h GLU 143 Cb 0.23 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 1oxq h GLU 143 CO -0.01 0.69 0.48 1.25 -1.16 0.00 0.00 179.01 180.27 1oxq h HIS 144 N 0.62 0.87 0.00 4.33 2.76 -0.57 -1.85 115.15 121.30 1oxq h HIS 144 Ca 0.15 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1oxq h HIS 144 Cb 0.27 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1oxq h HIS 144 CO 0.01 0.30 -0.64 0.00 -1.30 0.00 0.00 177.93 176.31 1oxq h ALA 145 N 1.50 0.68 -0.39 5.26 0.00 -0.55 -0.79 119.26 124.97 1oxq h ALA 145 Ca 0.44 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1oxq h ALA 145 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1oxq h ALA 145 CO -0.29 0.80 -0.18 -0.22 0.00 0.00 0.00 179.25 179.36 1oxq h LYS 146 N 0.00 0.81 0.00 0.00 3.64 -0.31 -3.31 116.57 117.40 1oxq h LYS 146 Ca -0.01 -0.35 -0.33 0.00 -1.27 0.00 0.00 60.65 58.69 1oxq h LYS 146 Cb 1.36 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 1oxq h LYS 146 CO 0.08 0.98 -2.27 0.91 -2.27 0.00 0.00 179.45 176.88 1oxq n TRP 147 N -4.26 0.00 -3.12 1.91 7.02 -0.77 -4.70 117.44 113.52 1oxq n TRP 147 Ca -0.02 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.24 1oxq n TRP 147 Cb 0.42 -0.91 -0.04 0.00 -2.42 0.00 0.00 31.31 28.36 1oxq n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1oxq n PHE 148 N -2.68 1.79 0.29 -5.99 3.72 -0.31 -4.96 117.46 109.33 1oxq n PHE 148 Ca -0.30 -3.88 0.15 0.00 -0.05 0.00 0.00 57.45 53.37 1oxq n PHE 148 Cb 1.10 -0.45 0.90 0.00 -0.94 0.00 0.00 39.48 40.08 1oxq n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxq h PRO 149 N 3.20 0.00 -0.37 -1.08 0.13 -1.72 -1.69 132.00 130.47 1oxq h PRO 149 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1oxq h PRO 149 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1oxq h PRO 149 CO 0.64 0.04 0.00 -1.13 -0.23 0.00 0.00 178.00 177.31 1oxq n SER 150 N -3.68 3.08 -4.68 1.44 3.41 -1.26 -4.82 113.62 107.11 1oxq n SER 150 Ca -0.03 -1.94 -0.45 0.00 -0.26 0.00 0.00 58.87 56.19 1oxq n SER 150 Cb 0.13 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1oxq n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oxq h GLN 152 N 9.05 0.00 -0.11 0.00 4.20 -1.91 -0.10 115.11 126.24 1oxq h GLN 152 Ca -0.48 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 1oxq h GLN 152 Cb 1.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1oxq h GLN 152 CO 0.94 0.26 -0.15 0.35 -0.67 0.00 0.00 178.83 179.57 1oxq h PHE 153 N 0.00 0.37 -0.34 2.96 3.57 -1.97 -0.17 116.94 121.36 1oxq h PHE 153 Ca -0.00 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1oxq h PHE 153 Cb 0.96 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1oxq h PHE 153 CO 0.00 0.74 0.12 1.25 -2.23 0.00 0.00 178.31 178.20 1oxq h LEU 154 N -0.11 0.14 -0.51 0.59 5.85 -1.85 -1.23 115.31 118.19 1oxq h LEU 154 Ca 0.01 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1oxq h LEU 154 Cb 0.69 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1oxq h LEU 154 CO 0.03 0.12 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.00 1oxq h LEU 155 N 0.27 1.03 -0.76 2.25 3.38 -0.98 0.15 115.31 120.66 1oxq h LEU 155 Ca 0.15 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1oxq h LEU 155 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1oxq h LEU 155 CO -0.15 1.18 0.28 0.03 0.09 0.00 0.00 178.44 179.88 1oxq h ARG 156 N 0.88 1.14 0.01 1.13 2.47 -0.90 0.23 114.38 119.34 1oxq h ARG 156 Ca 0.12 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1oxq h ARG 156 Cb 0.76 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1oxq h ARG 156 CO 0.06 0.94 -0.01 0.77 0.56 0.00 0.00 179.97 182.30 1oxq h SER 157 N 1.10 -0.01 0.00 7.04 0.02 -0.97 -3.40 113.55 117.33 1oxq h SER 157 Ca 0.25 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1oxq h SER 157 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1oxq h SER 157 CO -0.02 0.65 -1.40 0.29 -1.14 0.00 0.00 176.83 175.21 1oxq n LYS 158 N -4.78 0.95 0.00 3.45 4.76 0.51 -5.10 118.16 117.94 1oxq n LYS 158 Ca -0.09 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1oxq n LYS 158 Cb 0.33 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1oxq n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oxq n GLY 159 N 1.59 -1.62 0.21 0.72 0.00 0.79 -4.26 105.19 102.62 1oxq n GLY 159 Ca -0.01 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1oxq n GLY 159 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oxq h ARG 160 N 0.00 0.67 -0.56 1.61 2.43 -1.93 -2.86 114.38 113.75 1oxq h ARG 160 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1oxq h ARG 160 Cb 0.00 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1oxq h ARG 160 CO 0.00 0.54 0.35 -0.44 -1.51 0.00 0.00 179.97 178.91 1oxq h ASP 161 N 0.63 0.66 -0.40 -3.80 5.19 -1.98 0.23 116.42 116.96 1oxq h ASP 161 Ca 0.17 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1oxq h ASP 161 Cb 0.07 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1oxq h ASP 161 CO -0.02 0.50 0.23 0.15 -3.12 0.00 0.00 179.24 176.98 1oxq h PHE 162 N 0.75 0.53 -0.37 4.55 3.57 -1.73 0.68 116.94 124.93 1oxq h PHE 162 Ca 0.20 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1oxq h PHE 162 Cb -0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1oxq h PHE 162 CO -0.03 0.39 0.09 0.28 -2.23 0.00 0.00 178.31 176.81 1oxq h VAL 163 N 0.52 1.22 -0.62 1.41 2.07 -1.19 -0.44 116.25 119.22 1oxq h VAL 163 Ca 0.14 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1oxq h VAL 163 Cb 0.02 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1oxq h VAL 163 CO -0.03 0.26 0.39 -0.74 0.02 0.00 0.00 177.57 177.48 1oxq h HIS 164 N 0.45 0.74 -0.70 1.57 -0.00 -0.43 0.16 115.15 116.93 1oxq h HIS 164 Ca 0.12 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1oxq h HIS 164 Cb 0.30 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 1oxq h HIS 164 CO 0.02 0.44 0.29 1.03 -0.00 0.00 0.00 177.93 179.70 1oxq h SER 165 N 0.78 0.96 -0.57 3.26 0.87 -0.53 -1.39 113.55 116.92 1oxq h SER 165 Ca 0.24 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1oxq h SER 165 Cb -0.02 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1oxq h SER 165 CO -0.08 0.86 0.07 0.58 -0.53 0.00 0.00 176.83 177.73 1oxq h VAL 166 N 1.00 1.26 -0.83 2.23 2.07 -0.67 -2.77 116.25 118.54 1oxq h VAL 166 Ca 0.23 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1oxq h VAL 166 Cb 0.19 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1oxq h VAL 166 CO -0.02 0.37 0.52 1.56 0.02 0.00 0.00 177.57 180.02 1oxq h GLN 167 N 0.86 1.11 -0.03 1.57 1.08 -0.29 -2.25 115.11 117.17 1oxq h GLN 167 Ca 0.17 -0.09 -0.24 0.00 -1.45 0.00 0.00 58.65 57.04 1oxq h GLN 167 Cb 0.45 -0.24 0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1oxq h GLN 167 CO 0.02 0.76 -0.96 1.05 -0.95 0.00 0.00 178.83 178.75 1oxq h GLU 168 N 1.13 0.61 -0.02 1.46 4.11 -1.18 -3.24 114.58 117.46 1oxq h GLU 168 Ca 0.30 -0.62 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1oxq h GLU 168 Cb -0.08 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1oxq h GLU 168 CO -0.06 1.23 0.00 0.25 0.07 0.00 0.00 179.01 180.50 1oxq n THR 169 N -3.83 0.00 -2.55 -1.06 -2.24 -1.05 -3.94 114.28 99.61 1oxq n THR 169 Ca -0.09 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 1oxq n THR 169 Cb 0.84 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1oxq n THR 169 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oxq n HIS 170 N 0.23 2.01 -1.87 4.78 8.25 -0.85 -5.09 115.22 122.68 1oxq n HIS 170 Ca 0.19 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.01 1oxq n HIS 170 Cb 0.37 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1oxq n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43