#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 1.19 3.74 0.00 0.00 -1.26 -5.11 105.19 103.75 1oxq n GLY 72 Ca 0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1oxq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxq s ALA 73 N 0.00 2.33 -0.05 4.61 0.00 -1.26 -5.04 121.76 122.35 1oxq s ALA 73 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.80 1oxq s ALA 73 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1oxq s ALA 73 CO 0.00 -1.50 -0.15 0.99 0.00 0.00 0.00 175.76 175.10 1oxq s THR 74 N -2.00 3.02 0.25 0.00 2.01 -1.26 -5.09 115.64 112.57 1oxq s THR 74 Ca 0.73 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 1oxq s THR 74 Cb -0.27 -2.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.94 1oxq s THR 74 CO 0.41 0.59 1.63 -0.11 -0.69 0.00 0.00 174.62 176.44 1oxq n LEU 75 N 2.40 4.04 -4.77 4.42 7.94 -1.26 -4.97 117.00 124.80 1oxq n LEU 75 Ca -0.17 1.11 -0.36 0.00 -1.11 0.00 0.00 56.01 55.48 1oxq n LEU 75 Cb 0.52 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1oxq n LEU 75 CO 0.26 0.08 0.81 -0.44 -1.11 0.00 0.00 177.39 176.99 1oxq s SER 76 N 0.77 5.81 0.00 1.96 0.01 -1.26 -4.95 113.70 116.04 1oxq s SER 76 Ca 0.70 2.25 0.25 0.00 1.31 0.00 0.00 55.95 60.46 1oxq s SER 76 Cb -0.52 -2.59 0.48 0.00 0.21 0.00 0.00 66.02 63.59 1oxq s SER 76 CO 0.42 -1.16 1.39 0.54 0.41 0.00 0.00 173.24 174.83 1oxq n ARG 77 N -1.05 0.53 -2.86 12.44 1.74 -1.26 -4.91 116.66 121.29 1oxq n ARG 77 Ca 0.10 -0.35 -0.41 0.00 -0.77 0.00 0.00 57.85 56.43 1oxq n ARG 77 Cb 0.50 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.71 2.62 0.48 -0.13 0.00 -1.26 -5.02 107.32 101.30 1oxq s GLY 78 Ca 0.18 0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 1oxq s GLY 78 CO 0.62 1.52 1.37 -4.14 0.00 0.00 0.00 173.10 172.47 1oxq s PRO 79 N 1.21 3.52 0.41 2.90 0.02 -1.26 -4.91 135.00 136.89 1oxq s PRO 79 Ca 0.44 2.27 0.07 0.00 0.02 0.00 0.00 61.00 63.80 1oxq s PRO 79 Cb -0.19 -2.50 0.84 0.00 0.02 0.00 0.00 34.50 32.67 1oxq s PRO 79 CO 0.21 -0.90 2.05 0.00 -0.33 0.00 0.00 177.00 178.04 1oxq h ALA 80 N 2.03 1.69 -2.19 -1.55 0.00 -0.45 -3.35 119.26 115.44 1oxq h ALA 80 Ca -0.51 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 1oxq h ALA 80 Cb 1.27 -0.17 -0.35 0.00 0.00 0.00 0.00 17.79 18.54 1oxq h ALA 80 CO 0.60 0.28 -0.91 0.12 0.00 0.00 0.00 179.25 179.34 1oxq s PHE 81 N -5.49 0.70 0.41 0.00 2.19 0.49 -5.02 117.98 111.27 1oxq s PHE 81 Ca -0.08 -2.06 0.15 0.00 0.33 0.00 0.00 56.93 55.27 1oxq s PHE 81 Cb 0.17 -0.75 1.02 0.00 -1.31 0.00 0.00 43.02 42.16 1oxq s PHE 81 CO 0.73 -0.89 1.89 -1.35 1.83 0.00 0.00 175.22 177.43 1oxq h PRO 82 N 5.63 0.45 -0.24 10.12 0.11 -1.79 -1.49 132.00 144.79 1oxq h PRO 82 Ca 0.23 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1oxq h PRO 82 Cb 0.94 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1oxq h PRO 82 CO 0.32 0.30 0.02 0.78 -0.21 0.00 0.00 178.00 179.20 1oxq h GLY 83 N 0.46 0.37 -0.63 -0.55 0.00 -1.95 -0.73 103.07 100.04 1oxq h GLY 83 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1oxq h GLY 83 CO -0.15 0.18 0.00 1.03 0.00 0.00 0.00 176.54 177.59 1oxq n MET 84 N -4.36 1.26 0.29 4.80 2.81 -0.56 -3.84 117.12 117.52 1oxq n MET 84 Ca 0.00 -0.30 0.16 0.00 -1.81 0.00 0.00 57.70 55.76 1oxq n MET 84 Cb 0.19 -1.25 0.85 0.00 -0.71 0.00 0.00 33.22 32.30 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 5.50 0.00 -6.34 3.03 0.00 -1.19 -3.42 103.07 100.65 1oxq h GLY 85 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1oxq h GLY 85 CO 0.02 0.00 0.09 -0.45 0.00 0.00 0.00 176.54 176.20 1oxq s SER 86 N -5.83 6.58 0.27 0.19 0.15 -1.25 -4.95 113.70 108.87 1oxq s SER 86 Ca -0.03 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.34 1oxq s SER 86 Cb 0.12 -2.32 0.60 0.00 -1.71 0.00 0.00 66.02 62.71 1oxq s SER 86 CO 0.53 -0.30 1.74 -0.08 1.20 0.00 0.00 173.24 176.34 1oxq h GLU 87 N 7.73 0.53 -0.52 5.44 4.81 -1.87 0.57 114.58 131.28 1oxq h GLU 87 Ca -0.30 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1oxq h GLU 87 Cb 1.14 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 1oxq h GLU 87 CO 0.76 0.35 0.13 1.49 -0.73 0.00 0.00 179.01 181.02 1oxq h GLU 88 N 0.55 0.28 -0.18 1.92 4.57 -1.94 0.11 114.58 119.88 1oxq h GLU 88 Ca 0.50 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.49 1oxq h GLU 88 Cb 0.79 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1oxq h GLU 88 CO -0.42 0.18 -0.56 -0.07 -1.18 0.00 0.00 179.01 176.96 1oxq h LEU 89 N 0.28 0.64 -1.00 1.64 3.38 -1.58 -2.24 115.31 116.43 1oxq h LEU 89 Ca 0.26 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1oxq h LEU 89 Cb 0.33 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1oxq h LEU 89 CO -0.31 1.07 0.46 0.03 0.09 0.00 0.00 178.44 179.77 1oxq h ARG 90 N 0.43 1.15 -0.64 1.13 3.08 -0.27 -2.54 114.38 116.72 1oxq h ARG 90 Ca 0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1oxq h ARG 90 Cb 1.11 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1oxq h ARG 90 CO 0.11 0.84 0.36 -0.07 -1.07 0.00 0.00 179.97 180.14 1oxq h LEU 91 N 1.16 0.80 -1.22 3.04 3.38 -0.59 -2.56 115.31 119.32 1oxq h LEU 91 Ca 0.29 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1oxq h LEU 91 Cb 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 1oxq h LEU 91 CO -0.05 0.65 0.59 0.00 0.09 0.00 0.00 178.44 179.73 1oxq h ALA 92 N 1.18 1.79 0.00 1.53 0.00 -0.99 -1.74 119.26 121.02 1oxq h ALA 92 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1oxq h ALA 92 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1oxq h ALA 92 CO -0.04 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.82 1oxq h SER 93 N 0.73 0.00 -0.41 0.00 4.64 -1.26 -1.67 113.55 115.58 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 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1oxq h SER 93 CO -0.24 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.21 1oxq n PHE 94 N -2.85 0.59 0.12 4.77 3.72 -0.65 -4.29 117.46 118.87 1oxq n PHE 94 Ca -0.02 -0.28 0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1oxq n PHE 94 Cb 0.12 -0.02 0.71 0.00 -0.94 0.00 0.00 39.48 39.35 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 2.40 0.00 0.00 1.38 -0.00 -1.44 -0.31 116.97 119.01 1oxq h TYR 95 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1oxq h TYR 95 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.31 1oxq h TYR 95 CO 0.30 0.00 -0.26 -0.40 -0.00 0.00 0.00 178.16 177.79 1oxq n ASP 96 N -3.46 1.69 -4.68 0.10 5.75 -1.26 -5.04 116.55 109.65 1oxq n ASP 96 Ca 0.07 -2.97 -0.46 0.00 -0.01 0.00 0.00 54.79 51.41 1oxq n ASP 96 Cb 0.66 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1oxq n ASP 96 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1oxq n TRP 97 N -0.97 2.41 -1.44 2.11 -0.00 -0.13 -4.87 117.44 114.55 1oxq n TRP 97 Ca 0.13 -0.11 -0.36 0.00 -0.00 0.00 0.00 57.50 57.16 1oxq n TRP 97 Cb 0.70 -2.70 0.09 0.00 -0.00 0.00 0.00 31.31 29.39 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 6.55 0.65 -0.21 5.87 -0.02 -1.26 -4.93 135.00 141.64 1oxq n PRO 98 Ca 0.21 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1oxq n PRO 98 Cb 0.33 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.52 1oxq n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1oxq h LEU 99 N -0.09 1.04 -0.42 2.45 4.07 -1.99 -2.68 115.31 117.69 1oxq h LEU 99 Ca -0.48 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.19 1oxq h LEU 99 Cb 1.33 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1oxq h LEU 99 CO 0.49 1.08 0.00 0.35 -1.08 0.00 0.00 178.44 179.28 1oxq n THR 100 N -4.18 0.73 -2.18 0.22 -2.24 -1.26 -4.79 114.28 100.58 1oxq n THR 100 Ca 0.03 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1oxq n THR 100 Cb 0.34 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.23 3.50 -1.07 6.98 0.00 -1.01 -4.96 121.76 121.96 1oxq s ALA 101 Ca 0.07 1.18 0.14 0.00 0.00 0.00 0.00 51.96 53.35 1oxq s ALA 101 Cb 0.10 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1oxq s ALA 101 CO 0.49 -0.55 0.72 0.39 0.00 0.00 0.00 175.76 176.80 1oxq n GLU 102 N 1.26 2.04 -4.57 0.00 1.02 -1.26 -4.93 120.64 114.19 1oxq n GLU 102 Ca 0.01 -0.47 -0.34 0.00 -0.02 0.00 0.00 57.16 56.34 1oxq n GLU 102 Cb 0.42 -1.20 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 1oxq n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1oxq s VAL 103 N -1.96 3.82 -0.00 2.62 1.01 -1.26 -4.28 120.40 120.35 1oxq s VAL 103 Ca 0.09 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1oxq s VAL 103 Cb 0.11 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1oxq s VAL 103 CO 0.44 0.60 1.06 -2.16 0.00 0.00 0.00 175.10 175.03 1oxq s PRO 104 N -0.79 4.49 0.31 2.72 0.05 -1.26 -4.94 135.00 135.58 1oxq s PRO 104 Ca 0.12 1.52 0.08 0.00 0.05 0.00 0.00 61.00 62.78 1oxq s PRO 104 Cb -0.11 -3.45 0.86 0.00 0.05 0.00 0.00 34.50 31.85 1oxq s PRO 104 CO 0.02 -0.17 1.71 -1.35 0.05 0.00 0.00 177.00 177.26 1oxq h PRO 105 N 6.90 0.48 -0.82 0.56 0.11 -1.99 -0.94 132.00 136.30 1oxq h PRO 105 Ca -0.39 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.75 1oxq h PRO 105 Cb 1.20 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1oxq h PRO 105 CO 0.79 0.32 0.54 0.93 -0.21 0.00 0.00 178.00 180.37 1oxq h GLU 106 N 0.50 0.88 -0.23 1.05 3.07 -1.96 0.24 114.58 118.11 1oxq h GLU 106 Ca 0.63 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.26 1oxq h GLU 106 Cb 1.22 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1oxq h GLU 106 CO -0.51 0.58 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.08 1oxq h LEU 107 N 0.90 0.87 -0.25 1.33 3.38 -1.58 -1.65 115.31 118.31 1oxq h LEU 107 Ca 0.35 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1oxq h LEU 107 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1oxq h LEU 107 CO -0.13 1.27 0.17 -0.07 0.09 0.00 0.00 178.44 179.77 1oxq h LEU 108 N 0.51 0.29 -0.47 1.67 3.38 -0.93 -2.10 115.31 117.66 1oxq h LEU 108 Ca 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1oxq h LEU 108 Cb 1.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1oxq h LEU 108 CO 0.12 0.22 -0.55 0.00 0.09 0.00 0.00 178.44 178.31 1oxq h ALA 109 N 1.09 0.64 -0.97 1.53 0.00 -0.61 -1.68 119.26 119.26 1oxq h ALA 109 Ca 0.09 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1oxq h ALA 109 Cb -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1oxq h ALA 109 CO -0.02 0.69 0.62 0.00 0.00 0.00 0.00 179.25 180.54 1oxq h ALA 110 N 0.91 1.36 -0.11 0.00 0.00 -1.25 -2.07 119.26 118.10 1oxq h ALA 110 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oxq h ALA 110 Cb 1.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1oxq h ALA 110 CO 0.11 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1oxq n ALA 111 N -2.36 2.61 -0.30 0.00 0.00 -0.79 -4.85 120.51 114.82 1oxq n ALA 111 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1oxq n ALA 111 Cb 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.41 0.90 3.84 0.00 0.00 -0.78 -4.88 105.19 104.68 1oxq n GLY 112 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.73 3.44 0.10 1.61 0.08 -0.70 -1.40 117.98 118.38 1oxq s PHE 113 Ca 0.00 1.28 0.04 0.00 0.12 0.00 0.00 56.93 58.37 1oxq s PHE 113 Cb 0.00 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 1oxq s PHE 113 CO 0.00 0.14 -0.10 -0.59 -0.10 0.00 0.00 175.22 174.57 1oxq s PHE 114 N -1.88 1.07 0.11 0.36 -0.71 -0.48 -3.72 117.98 112.73 1oxq s PHE 114 Ca 0.52 -0.65 -0.28 0.00 -1.04 0.00 0.00 56.93 55.47 1oxq s PHE 114 Cb -0.12 -0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 41.05 1oxq s PHE 114 CO 0.18 0.00 0.90 -1.58 -1.34 0.00 0.00 175.22 173.38 1oxq s HIS 115 N -2.42 3.81 0.07 3.49 5.65 -1.26 -1.89 115.29 122.74 1oxq s HIS 115 Ca 0.05 1.72 0.06 0.00 0.25 0.00 0.00 55.06 57.14 1oxq s HIS 115 Cb -0.03 -2.97 -0.03 0.00 -1.18 0.00 0.00 32.58 28.37 1oxq s HIS 115 CO 0.00 0.26 -0.16 0.95 -0.65 0.00 0.00 174.74 175.15 1oxq s THR 116 N -0.17 1.24 0.00 0.89 -4.23 -0.70 -4.89 115.64 107.79 1oxq s THR 116 Ca 0.44 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1oxq s THR 116 Cb -0.23 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1oxq s THR 116 CO 0.28 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1oxq n GLY 117 N 1.30 -0.36 0.00 3.99 0.00 -1.26 -4.07 105.19 104.79 1oxq n GLY 117 Ca -0.20 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1oxq n GLY 117 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oxq n HIS 118 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.99 115.22 118.83 1oxq n HIS 118 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1oxq n HIS 118 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1oxq n HIS 118 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1oxq n GLN 119 N -0.88 1.03 -0.42 -0.41 6.02 -1.26 -4.76 117.38 116.70 1oxq n GLN 119 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1oxq n GLN 119 Cb 0.00 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.46 1oxq n GLN 119 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1oxq n ASP 120 N 0.00 2.67 -4.74 1.08 5.75 -1.26 -4.51 116.55 115.54 1oxq n ASP 120 Ca 0.00 -3.37 -0.41 0.00 -0.01 0.00 0.00 54.79 51.00 1oxq n ASP 120 Cb 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.53 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 -3.01 4.58 0.20 0.11 1.02 -1.26 -4.44 119.74 116.94 1oxq s LYS 121 Ca 0.38 1.76 0.05 0.00 0.02 0.00 0.00 55.97 58.19 1oxq s LYS 121 Cb 0.34 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1oxq s LYS 121 CO 0.02 0.06 -0.08 0.14 -0.92 0.00 0.00 175.35 174.57 1oxq s VAL 122 N -0.32 1.32 0.03 3.17 -7.23 0.62 -1.72 120.40 116.28 1oxq s VAL 122 Ca 0.49 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1oxq s VAL 122 Cb -0.30 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1oxq s VAL 122 CO 0.36 -0.54 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.43 1oxq s ARG 123 N -3.75 0.38 0.26 4.82 0.52 -0.79 -1.26 118.95 119.12 1oxq s ARG 123 Ca 0.23 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1oxq s ARG 123 Cb 0.03 -0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.35 1oxq s ARG 123 CO 0.06 -0.01 1.02 0.00 0.02 0.00 0.00 175.30 176.39 1oxq h PHE 125 N 3.97 0.00 0.00 0.00 -0.00 -1.54 0.43 116.94 119.80 1oxq h PHE 125 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 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 0.60 0.29 -0.46 0.35 -0.00 0.00 0.00 178.31 179.09 1oxq h PHE 126 N 0.00 0.00 -0.00 6.09 3.04 -1.86 0.15 116.94 124.36 1oxq h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1oxq h PHE 126 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1oxq h PHE 126 CO 0.00 0.00 -0.57 0.00 -2.02 0.00 0.00 178.31 175.72 1oxq n TYR 128 N -1.34 0.00 -1.67 0.00 9.36 0.14 -4.94 117.16 118.71 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 -2.95 -0.04 0.00 -0.63 0.00 0.00 39.34 36.06 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 -0.14 1.20 3.54 2.98 0.00 -1.26 -4.49 105.19 107.02 1oxq n GLY 129 Ca -0.14 0.70 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 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 1.63 1.80 0.04 -0.02 0.00 -1.26 -0.35 107.32 109.16 1oxq s GLY 130 Ca 0.82 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.72 1oxq s GLY 130 CO 0.41 0.09 -0.09 1.08 0.00 0.00 0.00 173.10 174.59 1oxq s LEU 131 N 0.60 2.20 0.00 0.66 1.43 -0.39 -4.98 118.68 118.19 1oxq s LEU 131 Ca 0.01 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1oxq s LEU 131 Cb -0.14 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1oxq s LEU 131 CO 0.02 -0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.49 1oxq n GLN 132 N 1.77 0.00 -4.08 1.70 10.64 -1.26 -0.27 117.38 125.87 1oxq n GLN 132 Ca -0.20 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.67 1oxq n GLN 132 Cb 0.55 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.90 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 -0.45 -1.23 -4.77 2.61 7.64 -1.26 -4.91 113.62 111.25 1oxq n SER 133 Ca 0.00 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.46 1oxq n SER 133 Cb 0.00 -2.82 -0.01 0.00 -1.01 0.00 0.00 64.21 60.37 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 -3.77 2.91 0.05 1.43 0.52 -1.26 -5.05 118.94 113.77 1oxq s TRP 134 Ca 0.26 1.48 0.02 0.00 0.02 0.00 0.00 56.10 57.87 1oxq s TRP 134 Cb -0.14 -3.54 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 1oxq s TRP 134 CO 0.91 -1.76 -0.07 0.15 0.02 0.00 0.00 176.95 176.20 1oxq s LYS 135 N -2.30 0.59 0.17 4.98 1.02 -1.26 -4.37 119.74 118.57 1oxq s LYS 135 Ca 0.58 -0.91 -0.33 0.00 0.02 0.00 0.00 55.97 55.32 1oxq s LYS 135 Cb -0.35 -0.21 -0.15 0.00 -0.52 0.00 0.00 37.83 36.61 1oxq s LYS 135 CO 0.44 0.02 1.37 -2.13 -0.92 0.00 0.00 175.35 174.13 1oxq n ARG 136 N 1.03 1.66 0.00 1.68 3.00 -1.26 -1.43 116.66 121.34 1oxq n ARG 136 Ca -0.20 0.60 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 1oxq n ARG 136 Cb 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.79 1oxq n ARG 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oxq n GLY 137 N 2.50 2.88 3.65 5.14 0.00 -1.26 -5.03 105.19 113.07 1oxq n GLY 137 Ca 0.15 -0.17 -0.54 0.00 0.00 0.00 0.00 46.02 45.45 1oxq n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oxq n ASP 138 N 0.40 2.08 -4.55 1.61 8.00 -0.51 -4.93 116.55 118.65 1oxq n ASP 138 Ca 0.00 1.09 -0.41 0.00 0.71 0.00 0.00 54.79 56.19 1oxq n ASP 138 Cb 0.00 -1.18 -0.09 0.00 -0.02 0.00 0.00 41.12 39.83 1oxq n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oxq s ASP 139 N 2.01 6.17 0.16 -2.24 2.15 -1.26 -4.96 116.67 118.70 1oxq s ASP 139 Ca 0.91 -0.20 -0.16 0.00 0.43 0.00 0.00 52.55 53.53 1oxq s ASP 139 Cb -0.99 -2.19 0.08 0.00 -0.30 0.00 0.00 42.92 39.52 1oxq s ASP 139 CO 0.55 -0.32 1.74 -0.65 -0.17 0.00 0.00 175.17 176.33 1oxq h PRO 140 N 8.45 0.25 -0.69 4.34 0.11 -1.91 0.32 132.00 142.86 1oxq h PRO 140 Ca -0.30 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.87 1oxq h PRO 140 Cb 1.15 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1oxq h PRO 140 CO 0.68 0.17 0.45 -1.49 -0.21 0.00 0.00 178.00 177.61 1oxq h TRP 141 N 0.26 0.67 0.01 0.65 -0.00 -1.89 0.17 115.95 115.81 1oxq h TRP 141 Ca 0.18 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 58.98 1oxq h TRP 141 Cb 0.18 -0.22 0.01 0.00 -0.00 0.00 0.00 29.16 29.13 1oxq h TRP 141 CO -0.16 0.34 -0.41 1.15 -0.00 0.00 0.00 178.44 179.36 1oxq h THR 142 N 0.65 1.52 -0.97 1.49 2.02 -1.71 -2.08 112.91 113.83 1oxq h THR 142 Ca 0.31 -2.07 0.10 0.00 0.77 0.00 0.00 66.41 65.51 1oxq h THR 142 Cb 0.35 2.79 -0.08 0.00 -1.74 0.00 0.00 68.15 69.48 1oxq h THR 142 CO -0.10 0.58 0.61 -0.33 0.37 0.00 0.00 175.52 176.65 1oxq h GLU 143 N -0.39 0.99 -0.27 6.66 4.39 -0.17 0.19 114.58 125.99 1oxq h GLU 143 Ca -0.05 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1oxq h GLU 143 Cb 1.17 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1oxq h GLU 143 CO 0.08 0.65 0.12 1.25 -1.16 0.00 0.00 179.01 179.95 1oxq h HIS 144 N 1.02 0.21 -0.30 4.33 2.76 -0.65 -1.77 115.15 120.76 1oxq h HIS 144 Ca 0.46 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.51 1oxq h HIS 144 Cb 0.35 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1oxq h HIS 144 CO -0.01 0.11 -0.35 0.00 -1.30 0.00 0.00 177.93 176.37 1oxq h ALA 145 N 1.15 0.82 -0.24 5.26 0.00 -0.68 -0.25 119.26 125.32 1oxq h ALA 145 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1oxq h ALA 145 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oxq h ALA 145 CO -0.10 0.64 0.16 -0.22 0.00 0.00 0.00 179.25 179.74 1oxq h LYS 146 N 0.56 0.32 0.01 0.00 3.64 -0.45 -3.31 116.57 117.35 1oxq h LYS 146 Ca 0.06 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.06 1oxq h LYS 146 Cb 0.87 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1oxq h LYS 146 CO 0.08 0.21 -2.24 0.91 -2.27 0.00 0.00 179.45 176.13 1oxq n TRP 147 N -4.92 0.29 -3.01 1.91 7.02 -0.68 -4.68 117.44 113.37 1oxq n TRP 147 Ca -0.02 0.09 -0.22 0.00 -1.02 0.00 0.00 57.50 56.33 1oxq n TRP 147 Cb 0.03 -1.05 -0.03 0.00 -2.42 0.00 0.00 31.31 27.84 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 -2.95 2.09 0.31 -5.99 3.72 -0.11 -4.95 117.46 109.58 1oxq n PHE 148 Ca -0.32 -3.79 0.18 0.00 -0.05 0.00 0.00 57.45 53.47 1oxq n PHE 148 Cb 1.10 -0.43 1.02 0.00 -0.94 0.00 0.00 39.48 40.23 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 2.97 0.00 -0.01 -1.08 0.13 -1.71 -1.60 132.00 130.70 1oxq h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oxq h PRO 149 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1oxq h PRO 149 CO 0.66 0.01 -0.22 -1.13 -0.23 0.00 0.00 178.00 177.09 1oxq n SER 150 N -3.46 1.63 -4.63 1.44 3.41 -1.26 -4.86 113.62 105.89 1oxq n SER 150 Ca -0.03 -1.32 -0.54 0.00 -0.26 0.00 0.00 58.87 56.72 1oxq n SER 150 Cb 0.10 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 8.98 0.00 -0.18 0.00 4.20 -1.91 -1.72 115.11 124.48 1oxq h GLN 152 Ca -0.41 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.18 1oxq h GLN 152 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1oxq h GLN 152 CO 0.98 0.13 -0.36 0.35 -0.67 0.00 0.00 178.83 179.25 1oxq h PHE 153 N 0.00 0.71 -0.89 2.96 3.57 -1.97 -1.95 116.94 119.37 1oxq h PHE 153 Ca -0.00 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1oxq h PHE 153 Cb 0.32 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1oxq h PHE 153 CO 0.00 1.00 0.50 1.25 -2.23 0.00 0.00 178.31 178.83 1oxq h LEU 154 N 0.21 1.11 -0.21 0.59 5.85 -1.81 -2.34 115.31 118.71 1oxq h LEU 154 Ca 0.00 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 1oxq h LEU 154 Cb 0.96 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1oxq h LEU 154 CO 0.08 0.88 -0.63 -0.07 -0.34 0.00 0.00 178.44 178.36 1oxq h LEU 155 N 1.25 0.91 -1.18 2.25 3.38 -1.30 0.74 115.31 121.36 1oxq h LEU 155 Ca 0.32 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1oxq h LEU 155 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1oxq h LEU 155 CO -0.05 1.34 -0.13 0.03 0.09 0.00 0.00 178.44 179.72 1oxq h ARG 156 N 0.54 0.42 0.14 1.13 3.08 -1.31 -0.13 114.38 118.24 1oxq h ARG 156 Ca -0.02 -0.11 -0.29 0.00 0.07 0.00 0.00 59.98 59.63 1oxq h ARG 156 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1oxq h ARG 156 CO 0.13 0.55 -1.46 0.77 -1.07 0.00 0.00 179.97 178.90 1oxq h SER 157 N 0.39 0.45 0.00 7.04 0.02 -1.27 -3.40 113.55 116.78 1oxq h SER 157 Ca 0.07 -0.88 -0.10 0.00 -0.84 0.00 0.00 61.79 60.04 1oxq h SER 157 Cb 0.46 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1oxq h SER 157 CO 0.03 1.65 -1.82 0.29 -1.14 0.00 0.00 176.83 175.84 1oxq n LYS 158 N -3.86 0.92 0.00 3.45 4.76 0.24 -5.10 118.16 118.58 1oxq n LYS 158 Ca -0.24 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 1oxq n LYS 158 Cb 0.94 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 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 1.81 -0.23 0.29 0.72 0.00 -0.06 -4.27 105.19 103.46 1oxq n GLY 159 Ca -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 0.99 -0.33 1.61 9.65 -1.94 -3.05 114.38 121.32 1oxq h ARG 160 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1oxq h ARG 160 Cb 0.00 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 1oxq h ARG 160 CO 0.00 0.67 0.21 -0.44 2.80 0.00 0.00 179.97 183.21 1oxq h ASP 161 N 1.01 0.38 0.12 -3.80 3.32 -1.97 -2.15 116.42 113.34 1oxq h ASP 161 Ca 0.27 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.31 1oxq h ASP 161 Cb -0.09 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1oxq h ASP 161 CO -0.06 0.29 -0.21 0.15 -1.72 0.00 0.00 179.24 177.70 1oxq h PHE 162 N 0.43 -0.56 -0.01 4.55 3.57 -1.71 -1.70 116.94 121.51 1oxq h PHE 162 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1oxq h PHE 162 Cb -0.03 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1oxq h PHE 162 CO -0.05 -0.31 -0.03 0.28 -2.23 0.00 0.00 178.31 175.97 1oxq h VAL 163 N -0.41 0.91 -1.01 1.41 2.07 -1.48 -2.14 116.25 115.60 1oxq h VAL 163 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1oxq h VAL 163 Cb 0.42 0.91 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 1oxq h VAL 163 CO -0.11 0.00 0.62 -0.74 0.02 0.00 0.00 177.57 177.36 1oxq h HIS 164 N -0.05 1.10 -0.06 1.57 -0.00 -1.31 -0.08 115.15 116.31 1oxq h HIS 164 Ca 0.02 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.30 1oxq h HIS 164 Cb 0.08 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 1oxq h HIS 164 CO -0.11 0.32 -0.53 1.03 -0.00 0.00 0.00 177.93 178.64 1oxq h SER 165 N 0.86 0.19 0.39 3.26 0.87 -0.70 0.89 113.55 119.31 1oxq h SER 165 Ca 0.55 -0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.77 1oxq h SER 165 Cb 0.74 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1oxq h SER 165 CO -0.34 0.69 -1.03 0.58 -0.53 0.00 0.00 176.83 176.20 1oxq h VAL 166 N 0.14 1.42 -0.25 2.23 2.07 -0.67 -3.23 116.25 117.96 1oxq h VAL 166 Ca 0.00 -2.59 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 1oxq h VAL 166 Cb 0.99 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1oxq h VAL 166 CO 0.08 0.77 -0.22 1.56 0.02 0.00 0.00 177.57 179.77 1oxq h GLN 167 N 0.20 0.59 0.00 1.57 1.08 -0.85 -3.10 115.11 114.60 1oxq h GLN 167 Ca -0.10 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1oxq h GLN 167 Cb 1.69 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1oxq h GLN 167 CO 0.18 0.89 0.00 -1.91 -0.95 0.00 0.00 178.83 177.04 1oxq n GLU 168 N -4.37 0.63 0.00 1.46 2.13 0.29 -5.10 120.64 115.68 1oxq n GLU 168 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1oxq n GLU 168 Cb 0.42 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.75 1oxq n GLU 168 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97