#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 0.00 3.67 0.00 0.00 -1.26 -5.12 105.19 102.49 1oxq n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.60 0.22 4.61 0.00 -1.26 -5.01 121.76 123.92 1oxq s ALA 73 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1oxq s ALA 73 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1oxq s ALA 73 CO 0.00 -1.06 0.40 0.95 0.00 0.00 0.00 175.76 176.05 1oxq s THR 74 N 2.99 5.21 0.27 0.00 -4.23 -1.26 -5.07 115.64 113.55 1oxq s THR 74 Ca 0.62 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 1oxq s THR 74 Cb -0.28 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 69.68 1oxq s THR 74 CO 0.23 -0.24 1.41 -0.22 -0.54 0.00 0.00 174.62 175.26 1oxq s LEU 75 N -3.56 4.39 0.42 4.79 2.96 -1.26 -5.01 118.68 121.42 1oxq s LEU 75 Ca 0.37 2.68 -0.24 0.00 -0.22 0.00 0.00 54.13 56.72 1oxq s LEU 75 Cb -0.10 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 1oxq s LEU 75 CO 0.30 -0.67 1.15 -0.44 -1.32 0.00 0.00 176.35 175.37 1oxq s SER 76 N 0.17 6.42 0.00 3.68 0.01 -1.26 -4.96 113.70 117.76 1oxq s SER 76 Ca 0.57 2.28 0.24 0.00 1.31 0.00 0.00 55.95 60.34 1oxq s SER 76 Cb -0.41 -2.60 0.24 0.00 0.21 0.00 0.00 66.02 63.45 1oxq s SER 76 CO 0.46 -0.74 1.23 0.54 0.41 0.00 0.00 173.24 175.14 1oxq n ARG 77 N -0.17 0.56 -2.75 12.44 1.74 -1.26 -4.92 116.66 122.30 1oxq n ARG 77 Ca 0.06 -0.41 -0.41 0.00 -0.77 0.00 0.00 57.85 56.31 1oxq n ARG 77 Cb 0.48 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.72 2.94 0.43 -0.13 0.00 -1.26 -5.02 107.32 101.55 1oxq s GLY 78 Ca 0.16 0.52 -0.26 0.00 0.00 0.00 0.00 44.72 45.14 1oxq s GLY 78 CO 0.66 1.52 1.44 -1.05 0.00 0.00 0.00 173.10 175.67 1oxq n PRO 79 N 3.29 2.36 -0.23 2.90 -0.02 -1.26 -4.91 135.00 137.12 1oxq n PRO 79 Ca 0.03 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1oxq n PRO 79 Cb 0.50 -2.62 0.29 0.00 -0.02 0.00 0.00 33.50 31.64 1oxq n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oxq h ALA 80 N 2.48 1.57 -2.40 3.55 0.00 -0.73 -3.36 119.26 120.37 1oxq h ALA 80 Ca -0.51 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1oxq h ALA 80 Cb 1.26 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.42 1oxq h ALA 80 CO 0.62 0.33 -0.95 0.34 0.00 0.00 0.00 179.25 179.58 1oxq n PHE 81 N -4.47 -0.58 -0.06 0.00 -0.00 0.42 -5.01 117.46 107.76 1oxq n PHE 81 Ca 0.11 -3.39 0.07 0.00 -0.00 0.00 0.00 57.45 54.24 1oxq n PHE 81 Cb 0.16 0.17 0.44 0.00 -0.00 0.00 0.00 39.48 40.26 1oxq n PHE 81 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1oxq h PRO 82 N 5.54 0.52 -0.03 -7.13 0.11 -1.79 -1.42 132.00 127.80 1oxq h PRO 82 Ca 0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1oxq h PRO 82 Cb 0.90 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1oxq h PRO 82 CO 0.40 0.34 -0.08 0.78 -0.21 0.00 0.00 178.00 179.24 1oxq h GLY 83 N 0.54 0.05 -0.63 -0.55 0.00 -1.95 -0.94 103.07 99.58 1oxq h GLY 83 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1oxq h GLY 83 CO -0.06 0.02 0.00 1.03 0.00 0.00 0.00 176.54 177.53 1oxq n MET 84 N -4.42 1.32 0.29 4.80 2.81 -0.54 -3.46 117.12 117.94 1oxq n MET 84 Ca -0.02 -0.40 0.18 0.00 -1.81 0.00 0.00 57.70 55.65 1oxq n MET 84 Cb 0.17 -1.21 0.85 0.00 -0.71 0.00 0.00 33.22 32.31 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 5.54 0.00 -5.00 3.03 0.00 -1.25 -3.42 103.07 101.97 1oxq h GLY 85 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1oxq h GLY 85 CO 0.02 0.00 0.66 -0.45 0.00 0.00 0.00 176.54 176.77 1oxq s SER 86 N -5.58 7.13 0.30 0.19 0.15 -1.22 -4.92 113.70 109.75 1oxq s SER 86 Ca -0.01 1.40 -0.01 0.00 0.70 0.00 0.00 55.95 58.03 1oxq s SER 86 Cb 0.10 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.35 1oxq s SER 86 CO 0.51 -0.56 1.97 -0.08 1.20 0.00 0.00 173.24 176.28 1oxq h GLU 87 N 7.32 1.06 -0.31 5.44 4.81 -1.89 -0.93 114.58 130.08 1oxq h GLU 87 Ca -0.25 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1oxq h GLU 87 Cb 1.10 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1oxq h GLU 87 CO 0.92 0.70 0.12 1.49 -0.73 0.00 0.00 179.01 181.50 1oxq h GLU 88 N 1.09 0.25 -0.40 1.92 4.81 -1.95 0.11 114.58 120.42 1oxq h GLU 88 Ca 0.30 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1oxq h GLU 88 Cb -0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1oxq h GLU 88 CO -0.07 0.17 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.13 1oxq h LEU 89 N 0.26 0.75 -0.49 1.64 3.38 -1.84 -1.34 115.31 117.67 1oxq h LEU 89 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1oxq h LEU 89 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1oxq h LEU 89 CO -0.13 0.93 0.24 0.03 0.09 0.00 0.00 178.44 179.59 1oxq h ARG 90 N 0.67 0.71 -0.50 1.13 3.08 -0.64 -2.02 114.38 116.82 1oxq h ARG 90 Ca 0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1oxq h ARG 90 Cb 0.66 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1oxq h ARG 90 CO 0.05 0.59 0.20 1.25 -1.07 0.00 0.00 179.97 181.00 1oxq h LEU 91 N 0.65 0.68 -2.11 3.04 6.46 -0.65 -2.33 115.31 121.06 1oxq h LEU 91 Ca 0.17 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1oxq h LEU 91 Cb 0.12 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1oxq h LEU 91 CO -0.02 0.66 -0.01 0.00 -0.62 0.00 0.00 178.44 178.45 1oxq h ALA 92 N 1.05 1.86 0.00 1.25 0.00 -1.01 -0.46 119.26 121.95 1oxq h ALA 92 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oxq h ALA 92 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oxq h ALA 92 CO -0.01 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1oxq h SER 93 N 0.00 0.00 -0.42 0.00 4.64 -0.78 -2.95 113.55 114.04 1oxq h SER 93 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oxq h SER 93 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1oxq h SER 93 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1oxq n PHE 94 N -2.82 0.58 -0.28 4.77 3.01 -0.18 -4.39 117.46 118.16 1oxq n PHE 94 Ca -0.01 -0.28 0.24 0.00 1.01 0.00 0.00 57.45 58.40 1oxq n PHE 94 Cb 0.13 -0.01 0.57 0.00 -0.01 0.00 0.00 39.48 40.16 1oxq n PHE 94 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1oxq h TYR 95 N 2.45 0.45 -0.54 1.38 -0.00 -1.69 0.76 116.97 119.78 1oxq h TYR 95 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.64 1oxq h TYR 95 Cb 0.58 -0.13 -0.06 0.00 -0.00 0.00 0.00 36.73 37.12 1oxq h TYR 95 CO 0.29 0.07 0.10 -0.40 -0.00 0.00 0.00 178.16 178.22 1oxq n ASP 96 N -4.48 4.59 -4.76 0.10 5.75 -1.26 -5.00 116.55 111.48 1oxq n ASP 96 Ca 0.22 -3.15 -0.41 0.00 -0.01 0.00 0.00 54.79 51.44 1oxq n ASP 96 Cb 0.87 -0.67 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.16 2.90 -2.03 2.11 -0.00 0.26 -4.91 117.44 115.61 1oxq n TRP 97 Ca 0.32 0.44 -0.38 0.00 -0.00 0.00 0.00 57.50 57.88 1oxq n TRP 97 Cb 1.18 -2.52 0.01 0.00 -0.00 0.00 0.00 31.31 29.98 1oxq n TRP 97 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1oxq s PRO 98 N -1.93 3.57 0.22 5.87 0.02 -1.26 -4.89 135.00 136.60 1oxq s PRO 98 Ca 0.54 2.04 0.24 0.00 0.02 0.00 0.00 61.00 63.85 1oxq s PRO 98 Cb -0.49 -2.43 0.92 0.00 0.02 0.00 0.00 34.50 32.52 1oxq s PRO 98 CO 0.62 -0.78 1.72 1.28 -0.33 0.00 0.00 177.00 179.51 1oxq n LEU 99 N -0.55 0.66 -0.01 -5.54 4.77 -1.26 -1.96 117.00 113.11 1oxq n LEU 99 Ca 0.08 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 1oxq n LEU 99 Cb 0.46 -0.50 0.43 0.00 -2.33 0.00 0.00 43.42 41.49 1oxq n LEU 99 CO 0.52 -0.42 0.70 0.35 -1.33 0.00 0.00 177.39 177.21 1oxq n THR 100 N -2.19 0.00 -1.19 -5.08 -2.24 -1.26 -4.96 114.28 97.36 1oxq n THR 100 Ca 0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 1oxq n THR 100 Cb 0.29 -0.09 0.11 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.95 2.02 0.00 6.98 0.00 -0.83 -4.97 121.76 122.01 1oxq s ALA 101 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1oxq s ALA 101 Cb 0.18 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1oxq s ALA 101 CO 0.61 -2.03 0.30 0.39 0.00 0.00 0.00 175.76 175.03 1oxq n GLU 102 N -3.44 2.16 -4.68 0.00 1.02 -1.26 -4.96 120.64 109.49 1oxq n GLU 102 Ca 0.11 -0.30 -0.25 0.00 -0.02 0.00 0.00 57.16 56.70 1oxq n GLU 102 Cb 0.52 -0.80 -0.17 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.39 1.25 0.33 2.62 1.01 -1.26 -4.25 120.40 119.71 1oxq s VAL 103 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1oxq s VAL 103 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.16 1oxq s VAL 103 CO 0.00 0.38 1.12 -2.16 0.00 0.00 0.00 175.10 174.44 1oxq s PRO 104 N 0.54 4.43 0.27 2.72 0.04 -1.26 -4.94 135.00 136.80 1oxq s PRO 104 Ca -0.13 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1oxq s PRO 104 Cb -0.15 -2.97 0.61 0.00 0.04 0.00 0.00 34.50 32.03 1oxq s PRO 104 CO 0.04 0.03 1.66 -1.35 0.04 0.00 0.00 177.00 177.41 1oxq h PRO 105 N 3.33 0.21 -0.77 0.56 0.11 -1.98 -2.29 132.00 131.18 1oxq h PRO 105 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1oxq h PRO 105 Cb 1.22 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1oxq h PRO 105 CO 0.65 0.14 0.45 1.49 -0.21 0.00 0.00 178.00 180.52 1oxq h GLU 106 N 0.22 0.80 -0.34 1.05 4.22 -1.94 0.22 114.58 118.80 1oxq h GLU 106 Ca 0.50 -0.05 -0.16 0.00 0.08 0.00 0.00 59.36 59.73 1oxq h GLU 106 Cb 0.95 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1oxq h GLU 106 CO -0.62 0.53 -0.42 -0.07 -2.18 0.00 0.00 179.01 176.25 1oxq h LEU 107 N 0.82 0.92 -0.11 1.64 4.07 -1.82 -2.21 115.31 118.62 1oxq h LEU 107 Ca 0.34 -0.43 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1oxq h LEU 107 Cb 0.19 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1oxq h LEU 107 CO -0.18 1.21 0.04 -0.07 -1.08 0.00 0.00 178.44 178.36 1oxq h LEU 108 N 0.69 0.15 -0.88 1.67 3.38 -0.74 -2.67 115.31 116.92 1oxq h LEU 108 Ca 0.05 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1oxq h LEU 108 Cb 1.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1oxq h LEU 108 CO 0.10 0.28 0.18 0.00 0.09 0.00 0.00 178.44 179.09 1oxq h ALA 109 N 0.88 1.09 -0.51 1.53 0.00 -0.61 -1.01 119.26 120.63 1oxq h ALA 109 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oxq h ALA 109 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1oxq h ALA 109 CO -0.00 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.18 1oxq h ALA 110 N 1.23 1.62 -0.16 0.00 0.00 -1.36 -1.97 119.26 118.62 1oxq h ALA 110 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oxq h ALA 110 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1oxq h ALA 110 CO -0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1oxq n ALA 111 N -2.46 2.49 -0.06 0.00 0.00 -0.44 -4.87 120.51 115.17 1oxq n ALA 111 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1oxq n ALA 111 Cb 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.73 0.45 3.82 0.00 0.00 -0.74 -4.88 105.19 104.58 1oxq n GLY 112 Ca 0.05 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 -2.13 3.76 0.23 1.61 0.08 -0.86 -0.72 117.98 119.93 1oxq s PHE 113 Ca 0.00 1.21 0.11 0.00 0.12 0.00 0.00 56.93 58.38 1oxq s PHE 113 Cb 0.00 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1oxq s PHE 113 CO 0.00 0.55 -0.19 -0.59 -0.10 0.00 0.00 175.22 174.89 1oxq s PHE 114 N -1.19 2.37 0.06 0.36 -0.12 0.52 -3.64 117.98 116.32 1oxq s PHE 114 Ca 0.31 -0.32 -0.28 0.00 -0.05 0.00 0.00 56.93 56.58 1oxq s PHE 114 Cb -0.18 -1.11 -0.05 0.00 -0.63 0.00 0.00 43.02 41.05 1oxq s PHE 114 CO 0.19 0.58 0.90 -1.58 -0.05 0.00 0.00 175.22 175.26 1oxq s HIS 115 N -2.00 3.74 -0.35 3.49 5.65 -1.26 -1.26 115.29 123.30 1oxq s HIS 115 Ca 0.25 1.66 0.27 0.00 0.25 0.00 0.00 55.06 57.49 1oxq s HIS 115 Cb -0.07 -3.00 0.80 0.00 -1.18 0.00 0.00 32.58 29.13 1oxq s HIS 115 CO 0.13 0.17 1.76 1.79 -0.65 0.00 0.00 174.74 177.93 1oxq h THR 116 N 4.28 0.00 0.00 0.89 1.35 -1.76 -3.46 112.91 114.21 1oxq h THR 116 Ca -0.43 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1oxq h THR 116 Cb 1.21 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1oxq h THR 116 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1oxq n GLY 117 N 0.71 0.63 3.11 5.82 0.00 -1.26 -5.05 105.19 109.14 1oxq n GLY 117 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.16 3.12 0.00 1.61 3.76 -1.26 -5.04 115.29 115.32 1oxq s HIS 118 Ca 0.00 -2.02 0.00 0.00 -0.15 0.00 0.00 55.06 52.89 1oxq s HIS 118 Cb 0.00 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1oxq s HIS 118 CO 0.00 -0.84 0.00 1.04 -0.85 0.00 0.00 174.74 174.09 1oxq n GLN 119 N 4.52 0.00 -0.93 1.40 3.00 -1.26 -1.67 117.38 122.44 1oxq n GLN 119 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.73 1oxq n GLN 119 Cb 0.45 0.00 0.21 0.00 0.00 0.00 0.00 30.24 30.89 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 1.69 3.11 -4.73 1.08 5.75 -1.26 -4.43 116.55 117.76 1oxq n ASP 120 Ca 0.00 -3.64 -0.41 0.00 -0.01 0.00 0.00 54.79 50.73 1oxq n ASP 120 Cb 0.00 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.35 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 -3.22 4.56 0.19 0.11 1.02 -0.67 -4.42 119.74 117.31 1oxq s LYS 121 Ca 0.49 1.73 0.05 0.00 0.02 0.00 0.00 55.97 58.26 1oxq s LYS 121 Cb 0.43 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1oxq s LYS 121 CO 0.05 0.01 -0.08 0.14 -0.92 0.00 0.00 175.35 174.55 1oxq s VAL 122 N -0.01 1.27 0.03 3.17 -7.23 0.09 -2.10 120.40 115.61 1oxq s VAL 122 Ca 0.51 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1oxq s VAL 122 Cb -0.29 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1oxq s VAL 122 CO 0.34 -0.56 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.38 1oxq s ARG 123 N -3.76 0.42 0.22 4.82 0.52 -0.38 -1.48 118.95 119.31 1oxq s ARG 123 Ca 0.22 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 1oxq s ARG 123 Cb 0.03 -0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 1oxq s ARG 123 CO 0.05 0.04 0.92 0.00 0.02 0.00 0.00 175.30 176.33 1oxq h PHE 125 N 4.27 0.00 0.00 0.00 -0.00 -1.22 -0.74 116.94 119.24 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 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 1oxq h PHE 125 CO 0.62 0.32 -0.13 0.35 -0.00 0.00 0.00 178.31 179.46 1oxq h PHE 126 N 0.00 0.00 -0.00 6.09 3.04 -1.85 0.13 116.94 124.35 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 0.57 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1oxq h PHE 126 CO 0.00 0.00 -0.52 0.00 -2.02 0.00 0.00 178.31 175.77 1oxq n TYR 128 N -1.33 0.00 -1.76 0.00 9.36 -0.28 -4.95 117.16 118.20 1oxq n TYR 128 Ca 0.06 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.86 1oxq n TYR 128 Cb 0.34 -2.15 -0.03 0.00 -0.63 0.00 0.00 39.34 36.87 1oxq n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1oxq s GLY 129 N -2.41 1.27 -0.20 2.98 0.00 -1.26 -4.48 107.32 103.21 1oxq s GLY 129 Ca 0.00 1.55 -0.06 0.00 0.00 0.00 0.00 44.72 46.22 1oxq s GLY 129 CO 0.00 2.84 0.02 -0.32 0.00 0.00 0.00 173.10 175.64 1oxq s GLY 130 N 1.19 1.75 0.12 0.20 0.00 -1.26 -1.32 107.32 108.00 1oxq s GLY 130 Ca 0.74 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1oxq s GLY 130 CO 0.32 0.25 -0.17 1.08 0.00 0.00 0.00 173.10 174.58 1oxq s LEU 131 N 1.01 2.37 0.00 0.66 1.43 -0.55 -4.97 118.68 118.63 1oxq s LEU 131 Ca 0.02 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1oxq s LEU 131 Cb -0.14 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.39 1oxq s LEU 131 CO 0.02 -0.05 0.43 0.00 0.23 0.00 0.00 176.35 176.98 1oxq n GLN 132 N 0.69 0.62 -3.56 1.70 10.64 -1.26 -0.73 117.38 125.48 1oxq n GLN 132 Ca -0.16 -1.96 -0.20 0.00 -1.83 0.00 0.00 57.00 52.84 1oxq n GLN 132 Cb 0.56 2.03 0.05 0.00 -0.86 0.00 0.00 30.24 32.02 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 -1.64 -2.75 -4.75 2.61 7.64 -1.26 -4.91 113.62 108.55 1oxq n SER 133 Ca -0.02 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 1oxq n SER 133 Cb 0.44 -4.43 -0.03 0.00 -1.01 0.00 0.00 64.21 59.18 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 -3.53 3.36 0.15 1.43 0.52 -1.26 -5.03 118.94 114.58 1oxq s TRP 134 Ca 0.13 1.43 0.08 0.00 0.02 0.00 0.00 56.10 57.76 1oxq s TRP 134 Cb -0.03 -3.48 -0.04 0.00 -1.15 0.00 0.00 33.47 28.77 1oxq s TRP 134 CO 0.79 -1.33 -0.10 0.15 0.02 0.00 0.00 176.95 176.47 1oxq s LYS 135 N -0.69 2.06 0.16 4.98 1.02 -1.26 -4.27 119.74 121.74 1oxq s LYS 135 Ca 0.51 -1.19 -0.34 0.00 0.02 0.00 0.00 55.97 54.98 1oxq s LYS 135 Cb -0.34 -2.20 -0.15 0.00 -0.52 0.00 0.00 37.83 34.62 1oxq s LYS 135 CO 0.40 0.46 1.37 -2.13 -0.92 0.00 0.00 175.35 174.53 1oxq n ARG 136 N 0.28 1.61 -0.60 1.68 0.63 -1.26 -0.66 116.66 118.33 1oxq n ARG 136 Ca -0.12 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1oxq n ARG 136 Cb 0.54 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.24 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 2.52 1.80 3.73 5.14 0.00 -1.26 -5.01 105.19 112.10 1oxq n GLY 137 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.40 6.38 -0.40 1.61 1.11 0.16 -4.96 116.67 117.17 1oxq s ASP 138 Ca 0.00 2.88 -0.15 0.00 0.18 0.00 0.00 52.55 55.46 1oxq s ASP 138 Cb 0.00 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.40 1oxq s ASP 138 CO 0.00 -0.96 0.33 -0.62 1.18 0.00 0.00 175.17 175.10 1oxq s ASP 139 N 1.05 6.13 0.25 0.27 2.15 -1.26 -4.97 116.67 120.29 1oxq s ASP 139 Ca 0.73 -0.71 -0.04 0.00 0.43 0.00 0.00 52.55 52.96 1oxq s ASP 139 Cb -0.49 -2.18 0.48 0.00 -0.30 0.00 0.00 42.92 40.43 1oxq s ASP 139 CO 0.35 -0.44 1.72 -0.65 -0.17 0.00 0.00 175.17 175.98 1oxq h PRO 140 N 8.62 0.38 -0.47 4.34 0.11 -1.93 -0.07 132.00 142.98 1oxq h PRO 140 Ca -0.28 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.84 1oxq h PRO 140 Cb 1.13 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1oxq h PRO 140 CO 0.73 0.25 0.25 -1.49 -0.21 0.00 0.00 178.00 177.53 1oxq h TRP 141 N 0.39 0.47 -0.41 0.65 -0.00 -1.89 0.14 115.95 115.30 1oxq h TRP 141 Ca 0.42 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.32 1oxq h TRP 141 Cb 0.68 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.68 1oxq h TRP 141 CO -0.19 0.25 0.20 1.15 -0.00 0.00 0.00 178.44 179.85 1oxq h THR 142 N 0.51 1.17 -0.59 1.49 2.02 -1.71 -0.77 112.91 115.03 1oxq h THR 142 Ca 0.20 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1oxq h THR 142 Cb 0.07 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1oxq h THR 142 CO -0.12 0.19 0.32 -0.33 0.37 0.00 0.00 175.52 175.95 1oxq h GLU 143 N 0.52 0.82 -0.59 6.66 4.39 -0.82 0.20 114.58 125.76 1oxq h GLU 143 Ca 0.14 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1oxq h GLU 143 Cb 0.12 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 1oxq h GLU 143 CO -0.02 0.63 0.27 1.25 -1.16 0.00 0.00 179.01 179.98 1oxq h HIS 144 N 0.80 0.49 -0.11 4.33 2.76 -0.41 -1.58 115.15 121.43 1oxq h HIS 144 Ca 0.21 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.23 1oxq h HIS 144 Cb 0.05 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1oxq h HIS 144 CO -0.01 0.19 -0.66 0.00 -1.30 0.00 0.00 177.93 176.15 1oxq h ALA 145 N 1.35 0.66 -0.78 5.26 0.00 -0.65 0.28 119.26 125.38 1oxq h ALA 145 Ca 0.28 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1oxq h ALA 145 Cb 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1oxq h ALA 145 CO -0.23 0.73 0.50 -0.22 0.00 0.00 0.00 179.25 180.03 1oxq h LYS 146 N 0.31 0.95 0.00 0.00 3.64 -0.13 -3.29 116.57 118.05 1oxq h LYS 146 Ca -0.02 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.02 1oxq h LYS 146 Cb 1.21 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1oxq h LYS 146 CO 0.11 0.63 -2.09 0.91 -2.27 0.00 0.00 179.45 176.74 1oxq n TRP 147 N -4.60 0.00 -3.16 1.91 7.02 -0.64 -4.71 117.44 113.27 1oxq n TRP 147 Ca 0.09 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.32 1oxq n TRP 147 Cb 0.08 -0.78 -0.05 0.00 -2.42 0.00 0.00 31.31 28.13 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 -2.65 2.31 0.26 -5.99 3.72 0.08 -4.94 117.46 110.25 1oxq n PHE 148 Ca -0.27 -3.92 0.15 0.00 -0.05 0.00 0.00 57.45 53.36 1oxq n PHE 148 Cb 1.00 -0.47 0.85 0.00 -0.94 0.00 0.00 39.48 39.93 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 3.44 0.00 -0.09 -1.08 0.13 -1.72 -1.90 132.00 130.77 1oxq h PRO 149 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1oxq h PRO 149 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1oxq h PRO 149 CO 0.69 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 1oxq n SER 150 N -3.92 1.63 -4.68 1.44 3.41 -1.26 -4.84 113.62 105.40 1oxq n SER 150 Ca -0.01 -1.61 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 1oxq n SER 150 Cb 0.17 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 9.36 0.00 -0.08 0.00 4.20 -1.91 0.44 115.11 127.13 1oxq h GLN 152 Ca -0.47 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 1oxq h GLN 152 Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1oxq h GLN 152 CO 0.94 0.47 -0.11 0.35 -0.67 0.00 0.00 178.83 179.81 1oxq h PHE 153 N 0.00 0.26 -0.26 2.96 3.57 -1.96 0.20 116.94 121.71 1oxq h PHE 153 Ca -0.00 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1oxq h PHE 153 Cb 1.02 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1oxq h PHE 153 CO 0.00 0.68 -0.09 1.25 -2.23 0.00 0.00 178.31 177.92 1oxq h LEU 154 N -0.23 -0.31 -0.37 0.59 5.85 -1.88 -1.56 115.31 117.40 1oxq h LEU 154 Ca 0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1oxq h LEU 154 Cb 0.65 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1oxq h LEU 154 CO 0.03 -0.12 0.23 -0.07 -0.34 0.00 0.00 178.44 178.17 1oxq h LEU 155 N -0.04 0.44 -1.14 2.25 3.38 -0.81 0.26 115.31 119.65 1oxq h LEU 155 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1oxq h LEU 155 Cb 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1oxq h LEU 155 CO -0.29 0.35 0.17 0.03 0.09 0.00 0.00 178.44 178.79 1oxq h ARG 156 N 0.49 0.78 0.08 1.13 3.08 -0.84 0.33 114.38 119.44 1oxq h ARG 156 Ca 0.13 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 1oxq h ARG 156 Cb -0.02 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.90 1oxq h ARG 156 CO -0.03 0.67 -0.70 0.77 -1.07 0.00 0.00 179.97 179.62 1oxq h SER 157 N 0.77 0.26 0.00 7.04 0.02 -0.89 -3.40 113.55 117.36 1oxq h SER 157 Ca 0.18 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1oxq h SER 157 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1oxq h SER 157 CO -0.01 1.32 -1.57 0.29 -1.14 0.00 0.00 176.83 175.71 1oxq n LYS 158 N -4.27 0.71 0.00 3.45 4.76 0.87 -5.10 118.16 118.58 1oxq n LYS 158 Ca -0.16 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1oxq n LYS 158 Cb 0.72 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 1.46 -1.44 0.30 0.72 0.00 0.12 -4.16 105.19 102.19 1oxq n GLY 159 Ca -0.02 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.54 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 0.61 -0.07 1.61 2.43 -1.93 -3.02 114.38 114.01 1oxq h ARG 160 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1oxq h ARG 160 Cb 0.00 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1oxq h ARG 160 CO 0.00 0.47 0.04 -0.44 -1.51 0.00 0.00 179.97 178.53 1oxq h ASP 161 N 0.62 0.09 -0.34 -3.80 5.19 -1.96 0.16 116.42 116.38 1oxq h ASP 161 Ca 0.16 -0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 1oxq h ASP 161 Cb 0.04 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 1oxq h ASP 161 CO -0.02 0.16 0.08 0.15 -3.12 0.00 0.00 179.24 176.49 1oxq h PHE 162 N 0.02 0.14 -0.41 4.55 3.57 -1.70 0.84 116.94 123.95 1oxq h PHE 162 Ca 0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1oxq h PHE 162 Cb 0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1oxq h PHE 162 CO -0.04 0.04 0.05 0.28 -2.23 0.00 0.00 178.31 176.41 1oxq h VAL 163 N 0.21 1.25 -0.49 1.41 2.07 -1.37 -0.86 116.25 118.46 1oxq h VAL 163 Ca 0.16 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1oxq h VAL 163 Cb 0.17 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1oxq h VAL 163 CO -0.20 0.31 0.32 -0.74 0.02 0.00 0.00 177.57 177.28 1oxq h HIS 164 N 0.53 0.60 -0.81 1.57 -0.00 -0.45 0.17 115.15 116.75 1oxq h HIS 164 Ca 0.12 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1oxq h HIS 164 Cb 0.40 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 1oxq h HIS 164 CO 0.03 0.37 0.42 0.66 -0.00 0.00 0.00 177.93 179.41 1oxq h SER 165 N 0.64 1.04 -0.41 3.26 4.64 -0.48 -0.86 113.55 121.38 1oxq h SER 165 Ca 0.18 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1oxq h SER 165 Cb -0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1oxq h SER 165 CO -0.05 0.85 -0.16 0.58 -0.87 0.00 0.00 176.83 177.18 1oxq h VAL 166 N 1.14 1.28 -0.49 0.95 2.07 -0.90 -2.86 116.25 117.44 1oxq h VAL 166 Ca 0.28 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1oxq h VAL 166 Cb 0.07 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1oxq h VAL 166 CO -0.04 0.43 0.30 1.56 0.02 0.00 0.00 177.57 179.84 1oxq h GLN 167 N 0.65 0.65 -0.24 1.57 1.08 -0.28 -2.99 115.11 115.55 1oxq h GLN 167 Ca 0.10 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.06 1oxq h GLN 167 Cb 0.71 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1oxq h GLN 167 CO 0.05 0.45 -0.61 0.93 -0.95 0.00 0.00 178.83 178.70 1oxq h GLU 168 N 0.66 0.84 -4.08 1.46 5.08 -1.05 -3.28 114.58 114.21 1oxq h GLU 168 Ca 0.18 -0.58 -0.70 0.00 -1.00 0.00 0.00 59.36 57.26 1oxq h GLU 168 Cb -0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1oxq h GLU 168 CO -0.04 1.20 2.98 0.25 -1.00 0.00 0.00 179.01 182.41 1oxq n THR 169 N -4.01 3.12 0.00 1.13 -2.24 -1.09 -5.12 114.28 106.08 1oxq n THR 169 Ca -0.05 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.02 1oxq n THR 169 Cb 0.66 -2.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1oxq n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50