#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxn n GLY 72 N 0.00 1.75 3.70 0.00 0.00 -1.26 -5.09 105.19 104.30 1oxn n GLY 72 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1oxn n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxn s ALA 73 N -2.71 1.76 0.17 4.61 0.00 -1.26 -5.04 121.76 119.29 1oxn s ALA 73 Ca 0.00 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.64 1oxn s ALA 73 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1oxn s ALA 73 CO 0.00 -2.39 -0.23 0.95 0.00 0.00 0.00 175.76 174.09 1oxn s THR 74 N -2.59 2.18 0.22 0.00 -4.23 -1.26 -5.10 115.64 104.86 1oxn s THR 74 Ca 0.67 -1.94 -0.32 0.00 -1.18 0.00 0.00 61.69 58.92 1oxn s THR 74 Cb -0.23 -2.01 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1oxn s THR 74 CO 0.55 -0.13 1.71 0.18 -0.54 0.00 0.00 174.62 176.39 1oxn n LEU 75 N 0.41 4.06 -4.76 4.79 4.32 -1.26 -4.99 117.00 119.57 1oxn n LEU 75 Ca -0.14 1.07 -0.35 0.00 -0.02 0.00 0.00 56.01 56.58 1oxn n LEU 75 Cb 0.56 -1.58 0.03 0.00 -1.62 0.00 0.00 43.42 40.81 1oxn n LEU 75 CO 0.28 0.18 0.79 -0.44 -1.22 0.00 0.00 177.39 176.98 1oxn s SER 76 N 1.07 5.23 0.11 -1.43 0.01 -1.26 -4.96 113.70 112.47 1oxn s SER 76 Ca 0.73 2.20 0.22 0.00 1.31 0.00 0.00 55.95 60.42 1oxn s SER 76 Cb -0.50 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.04 1oxn s SER 76 CO 0.35 -1.56 0.85 0.54 0.41 0.00 0.00 173.24 173.83 1oxn n ARG 77 N -1.87 0.60 -2.20 12.44 1.74 -1.26 -4.92 116.66 121.18 1oxn n ARG 77 Ca 0.12 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 1oxn n ARG 77 Cb 0.51 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1oxn n ARG 77 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1oxn s GLY 78 N -4.36 2.38 0.50 -0.13 0.00 -1.26 -5.00 107.32 99.44 1oxn s GLY 78 Ca -0.03 1.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.58 1oxn s GLY 78 CO 0.83 2.12 1.32 -4.14 0.00 0.00 0.00 173.10 173.23 1oxn s PRO 79 N 0.07 3.44 0.19 2.90 0.02 -1.26 -4.93 135.00 135.43 1oxn s PRO 79 Ca 0.58 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 1oxn s PRO 79 Cb -0.37 -2.40 0.13 0.00 0.02 0.00 0.00 34.50 31.89 1oxn s PRO 79 CO 0.37 -0.92 1.84 0.00 -0.33 0.00 0.00 177.00 177.96 1oxn h ALA 80 N 1.84 0.80 -2.74 -1.55 0.00 0.04 -3.35 119.26 114.30 1oxn h ALA 80 Ca -0.50 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 1oxn h ALA 80 Cb 1.28 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 1oxn h ALA 80 CO 0.59 0.16 -0.77 0.12 0.00 0.00 0.00 179.25 179.35 1oxn s PHE 81 N -6.13 2.35 0.26 0.00 2.19 0.14 -4.99 117.98 111.80 1oxn s PHE 81 Ca -0.13 -2.84 -0.03 0.00 0.33 0.00 0.00 56.93 54.26 1oxn s PHE 81 Cb 0.14 -1.83 0.39 0.00 -1.31 0.00 0.00 43.02 40.41 1oxn s PHE 81 CO 0.76 -0.68 1.86 -1.35 1.83 0.00 0.00 175.22 177.63 1oxn h PRO 82 N 5.53 1.01 -1.02 10.12 0.11 -1.77 0.60 132.00 146.58 1oxn h PRO 82 Ca 0.20 -0.06 0.26 0.00 0.11 0.00 0.00 66.00 66.51 1oxn h PRO 82 Cb 0.83 -0.23 -0.08 0.00 0.11 0.00 0.00 31.00 31.63 1oxn h PRO 82 CO 0.55 0.67 0.67 0.78 -0.21 0.00 0.00 178.00 180.46 1oxn h GLY 83 N 1.04 0.91 -1.65 -0.55 0.00 -1.94 0.13 103.07 101.02 1oxn h GLY 83 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1oxn h GLY 83 CO -0.19 -0.08 0.00 1.03 0.00 0.00 0.00 176.54 177.30 1oxn n MET 84 N -4.52 2.22 0.23 4.80 2.81 0.20 -3.85 117.12 119.01 1oxn n MET 84 Ca 0.23 -1.33 0.06 0.00 -1.81 0.00 0.00 57.70 54.85 1oxn n MET 84 Cb 0.88 -1.51 0.52 0.00 -0.71 0.00 0.00 33.22 32.40 1oxn n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1oxn h GLY 85 N 4.96 0.00 -5.09 3.03 0.00 -0.77 -3.42 103.07 101.78 1oxn h GLY 85 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1oxn h GLY 85 CO 0.10 0.00 0.88 -0.45 0.00 0.00 0.00 176.54 177.06 1oxn s SER 86 N -6.97 6.95 0.31 0.19 0.15 -1.25 -4.91 113.70 108.17 1oxn s SER 86 Ca -0.04 1.73 0.01 0.00 0.70 0.00 0.00 55.95 58.35 1oxn s SER 86 Cb 0.16 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.49 1oxn s SER 86 CO 0.69 -0.74 1.93 -0.08 1.20 0.00 0.00 173.24 176.25 1oxn h GLU 87 N 8.12 0.95 -0.14 5.44 4.81 -1.89 -1.37 114.58 130.51 1oxn h GLU 87 Ca -0.28 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1oxn h GLU 87 Cb 1.11 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1oxn h GLU 87 CO 0.96 0.63 -0.08 1.49 -0.73 0.00 0.00 179.01 181.28 1oxn h GLU 88 N 0.98 -0.07 -0.53 1.92 4.81 -1.94 0.26 114.58 120.01 1oxn h GLU 88 Ca 0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1oxn h GLU 88 Cb 0.15 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1oxn h GLU 88 CO -0.12 -0.04 0.16 -0.07 -0.73 0.00 0.00 179.01 178.20 1oxn h LEU 89 N -0.07 0.74 -0.43 1.64 3.38 -1.76 -0.88 115.31 117.92 1oxn h LEU 89 Ca 0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1oxn h LEU 89 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1oxn h LEU 89 CO -0.18 0.70 0.01 0.03 0.09 0.00 0.00 178.44 179.09 1oxn h ARG 90 N 0.78 0.76 -0.06 1.13 3.08 -0.66 -2.28 114.38 117.13 1oxn h ARG 90 Ca 0.18 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1oxn h ARG 90 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1oxn h ARG 90 CO -0.01 0.82 0.04 1.25 -1.07 0.00 0.00 179.97 181.00 1oxn h LEU 91 N 0.60 0.07 -1.79 3.04 6.46 -0.26 -2.38 115.31 121.04 1oxn h LEU 91 Ca 0.12 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.03 1oxn h LEU 91 Cb 0.47 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1oxn h LEU 91 CO 0.02 0.08 0.49 0.00 -0.62 0.00 0.00 178.44 178.41 1oxn h ALA 92 N 0.99 2.39 0.00 1.25 0.00 -1.06 -0.32 119.26 122.50 1oxn h ALA 92 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1oxn h ALA 92 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1oxn h ALA 92 CO -0.00 -0.59 0.00 0.66 0.00 0.00 0.00 179.25 179.32 1oxn h SER 93 N 0.19 0.00 -0.44 0.00 4.64 -0.86 -1.83 113.55 115.26 1oxn h SER 93 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1oxn h SER 93 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1oxn h SER 93 CO -0.06 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.39 1oxn n PHE 94 N -2.42 0.88 -0.33 4.77 3.72 -0.13 -4.41 117.46 119.53 1oxn n PHE 94 Ca -0.00 -0.37 0.16 0.00 -0.05 0.00 0.00 57.45 57.19 1oxn n PHE 94 Cb 0.12 -0.13 0.36 0.00 -0.94 0.00 0.00 39.48 38.89 1oxn n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1oxn h TYR 95 N 2.69 0.92 -0.49 1.38 -0.00 -1.49 -0.75 116.97 119.24 1oxn h TYR 95 Ca 0.00 0.04 -0.09 0.00 -0.00 0.00 0.00 58.73 58.67 1oxn h TYR 95 Cb 0.92 -0.26 -0.06 0.00 -0.00 0.00 0.00 36.73 37.34 1oxn h TYR 95 CO 0.45 0.05 0.08 -3.47 -0.00 0.00 0.00 178.16 175.28 1oxn n ASP 96 N -4.91 4.37 -4.69 0.10 2.03 -1.26 -5.00 116.55 107.17 1oxn n ASP 96 Ca 0.25 -3.17 -0.43 0.00 0.52 0.00 0.00 54.79 51.96 1oxn n ASP 96 Cb 0.70 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 1oxn n ASP 96 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1oxn n TRP 97 N -0.27 2.58 -1.63 -0.67 -0.00 -0.29 -4.89 117.44 112.26 1oxn n TRP 97 Ca 0.30 -0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.39 1oxn n TRP 97 Cb 1.13 -2.67 0.02 0.00 -0.00 0.00 0.00 31.31 29.78 1oxn n TRP 97 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1oxn n PRO 98 N 4.78 1.41 -0.06 5.87 -0.02 -1.26 -4.89 135.00 140.84 1oxn n PRO 98 Ca 0.18 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 1oxn n PRO 98 Cb 0.34 -2.13 0.41 0.00 -0.02 0.00 0.00 33.50 32.10 1oxn n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oxn n LEU 99 N 0.26 1.69 -0.47 2.45 4.77 -1.26 -2.52 117.00 121.92 1oxn n LEU 99 Ca 0.09 -0.66 0.13 0.00 -0.03 0.00 0.00 56.01 55.54 1oxn n LEU 99 Cb 0.40 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.78 1oxn n LEU 99 CO 0.56 0.33 0.70 0.35 -1.33 0.00 0.00 177.39 178.01 1oxn n THR 100 N 0.33 0.00 -3.30 -5.08 -2.24 -1.26 -4.89 114.28 97.83 1oxn n THR 100 Ca 0.17 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1oxn n THR 100 Cb 0.35 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1oxn n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oxn s ALA 101 N -2.22 3.57 -2.20 6.98 0.00 -1.05 -4.98 121.76 121.87 1oxn s ALA 101 Ca 0.30 -0.64 0.18 0.00 0.00 0.00 0.00 51.96 51.81 1oxn s ALA 101 Cb 0.20 -2.79 0.55 0.00 0.00 0.00 0.00 23.12 21.07 1oxn s ALA 101 CO 0.42 -0.63 1.43 0.39 0.00 0.00 0.00 175.76 177.37 1oxn n GLU 102 N 5.27 2.00 -4.31 0.00 4.71 -1.26 -4.79 120.64 122.26 1oxn n GLU 102 Ca -0.06 -1.52 -0.34 0.00 -0.01 0.00 0.00 57.16 55.23 1oxn n GLU 102 Cb 0.50 -1.40 -0.14 0.00 -1.01 0.00 0.00 31.44 29.39 1oxn n GLU 102 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1oxn s VAL 103 N -1.58 3.25 0.28 2.62 1.01 -1.26 -4.20 120.40 120.53 1oxn s VAL 103 Ca 0.33 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1oxn s VAL 103 Cb 0.18 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 1oxn s VAL 103 CO 0.25 0.48 1.44 -2.84 0.00 0.00 0.00 175.10 174.43 1oxn s PRO 104 N 0.90 4.24 0.27 2.72 0.02 -1.26 -4.92 135.00 136.98 1oxn s PRO 104 Ca -0.02 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.37 1oxn s PRO 104 Cb -0.15 -3.07 0.62 0.00 0.02 0.00 0.00 34.50 31.91 1oxn s PRO 104 CO 0.00 -0.42 1.73 -1.35 -0.33 0.00 0.00 177.00 176.64 1oxn h PRO 105 N 4.47 0.51 -0.78 5.54 0.11 -1.96 -1.93 132.00 137.97 1oxn h PRO 105 Ca -0.47 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.67 1oxn h PRO 105 Cb 1.22 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1oxn h PRO 105 CO 0.74 0.34 0.51 0.93 -0.21 0.00 0.00 178.00 180.31 1oxn h GLU 106 N 0.53 0.81 -0.41 1.05 3.07 -1.94 0.19 114.58 117.87 1oxn h GLU 106 Ca 0.50 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.24 1oxn h GLU 106 Cb 0.83 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1oxn h GLU 106 CO -0.43 0.53 -0.02 1.25 -1.40 0.00 0.00 179.01 178.94 1oxn h LEU 107 N 0.83 0.73 -0.13 1.33 5.85 -1.74 -1.67 115.31 120.52 1oxn h LEU 107 Ca 0.34 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1oxn h LEU 107 Cb 0.25 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1oxn h LEU 107 CO -0.12 0.88 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.73 1oxn h LEU 108 N 0.57 0.28 -0.99 2.25 3.38 -0.94 -2.50 115.31 117.37 1oxn h LEU 108 Ca 0.11 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1oxn h LEU 108 Cb 0.52 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1oxn h LEU 108 CO 0.03 0.63 -0.20 0.00 0.09 0.00 0.00 178.44 178.99 1oxn h ALA 109 N 0.66 1.15 -0.57 1.53 0.00 -0.74 -0.58 119.26 120.71 1oxn h ALA 109 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1oxn h ALA 109 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1oxn h ALA 109 CO 0.02 0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.96 1oxn h ALA 110 N 1.34 1.20 -0.08 0.00 0.00 -1.26 -2.32 119.26 118.15 1oxn h ALA 110 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1oxn h ALA 110 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1oxn h ALA 110 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1oxn n ALA 111 N -2.46 2.52 -0.06 0.00 0.00 -0.86 -4.84 120.51 114.81 1oxn n ALA 111 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1oxn n ALA 111 Cb 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1oxn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oxn n GLY 112 N 0.74 0.50 3.84 0.00 0.00 -0.87 -4.87 105.19 104.54 1oxn n GLY 112 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1oxn n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oxn s PHE 113 N -2.12 3.64 0.18 1.61 0.08 -0.28 -1.39 117.98 119.70 1oxn s PHE 113 Ca 0.00 1.05 0.11 0.00 0.12 0.00 0.00 56.93 58.21 1oxn s PHE 113 Cb 0.00 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1oxn s PHE 113 CO 0.00 0.49 -0.23 -0.59 -0.10 0.00 0.00 175.22 174.78 1oxn s PHE 114 N -1.37 2.20 0.14 0.36 -0.12 0.37 -3.51 117.98 116.05 1oxn s PHE 114 Ca 0.34 -0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.54 1oxn s PHE 114 Cb -0.16 -1.10 -0.07 0.00 -0.63 0.00 0.00 43.02 41.06 1oxn s PHE 114 CO 0.18 0.44 1.05 -1.58 -0.05 0.00 0.00 175.22 175.27 1oxn s HIS 115 N -1.64 3.67 -0.04 3.49 5.65 -1.26 -1.43 115.29 123.72 1oxn s HIS 115 Ca 0.18 1.65 0.14 0.00 0.25 0.00 0.00 55.06 57.29 1oxn s HIS 115 Cb -0.08 -3.20 0.13 0.00 -1.18 0.00 0.00 32.58 28.25 1oxn s HIS 115 CO 0.09 -0.34 1.47 1.79 -0.65 0.00 0.00 174.74 177.09 1oxn h THR 116 N 3.90 1.03 0.00 0.89 1.35 -1.59 -3.47 112.91 115.02 1oxn h THR 116 Ca -0.44 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1oxn h THR 116 Cb 1.21 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1oxn h THR 116 CO 0.73 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 1oxn n GLY 117 N 1.06 0.83 3.56 5.82 0.00 -1.26 -5.08 105.19 110.13 1oxn n GLY 117 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1oxn n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oxn s HIS 118 N -1.22 3.22 0.00 1.61 3.76 -1.26 -4.97 115.29 116.43 1oxn s HIS 118 Ca 0.00 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1oxn s HIS 118 Cb 0.00 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.12 1oxn s HIS 118 CO 0.00 -0.33 0.00 1.04 -0.85 0.00 0.00 174.74 174.60 1oxn n GLN 119 N 5.28 0.00 -1.04 1.40 3.00 -1.26 -1.73 117.38 123.03 1oxn n GLN 119 Ca -0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.75 1oxn n GLN 119 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 30.24 30.92 1oxn n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1oxn n ASP 120 N 2.80 3.31 -4.71 1.08 5.75 -1.26 -4.49 116.55 119.03 1oxn n ASP 120 Ca 0.00 -3.73 -0.42 0.00 -0.01 0.00 0.00 54.79 50.63 1oxn n ASP 120 Cb 0.00 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.34 1oxn n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1oxn s LYS 121 N -3.32 4.54 0.19 0.11 1.02 -0.70 -4.39 119.74 117.19 1oxn s LYS 121 Ca 0.51 1.50 0.08 0.00 0.02 0.00 0.00 55.97 58.08 1oxn s LYS 121 Cb 0.44 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1oxn s LYS 121 CO 0.04 -0.08 -0.17 0.14 -0.92 0.00 0.00 175.35 174.36 1oxn s VAL 122 N 0.95 1.82 0.06 3.17 -7.23 0.87 -1.46 120.40 118.58 1oxn s VAL 122 Ca 0.53 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1oxn s VAL 122 Cb -0.23 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1oxn s VAL 122 CO 0.28 -0.45 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.38 1oxn s ARG 123 N -3.22 0.69 0.11 4.82 0.52 -0.51 -0.94 118.95 120.43 1oxn s ARG 123 Ca 0.20 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1oxn s ARG 123 Cb -0.03 -0.60 -0.06 0.00 0.52 0.00 0.00 34.95 34.78 1oxn s ARG 123 CO 0.07 0.13 0.98 0.00 0.02 0.00 0.00 175.30 176.50 1oxn h PHE 125 N 5.57 0.00 0.00 0.00 -0.00 -1.52 -0.08 116.94 120.91 1oxn h PHE 125 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1oxn h PHE 125 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1oxn h PHE 125 CO 0.65 0.10 -0.41 0.34 -0.00 0.00 0.00 178.31 178.98 1oxn n PHE 126 N -3.98 0.65 1.00 6.09 -0.00 -1.26 0.29 117.46 120.25 1oxn n PHE 126 Ca -0.02 0.28 0.12 0.00 -0.00 0.00 0.00 57.45 57.83 1oxn n PHE 126 Cb 0.19 -0.62 0.27 0.00 -0.00 0.00 0.00 39.48 39.31 1oxn n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1oxn n TYR 128 N -1.49 0.00 -1.70 0.00 9.36 -0.04 -4.94 117.16 118.35 1oxn n TYR 128 Ca 0.06 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.84 1oxn n TYR 128 Cb 0.34 -1.86 -0.03 0.00 -0.63 0.00 0.00 39.34 37.16 1oxn n TYR 128 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oxn n GLY 129 N -0.68 1.30 3.47 2.98 0.00 -1.26 -4.45 105.19 106.55 1oxn n GLY 129 Ca -0.06 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 1oxn n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oxn s GLY 130 N 0.89 1.65 0.04 -0.02 0.00 -1.26 -1.04 107.32 107.60 1oxn s GLY 130 Ca 0.74 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.62 1oxn s GLY 130 CO 0.38 -0.22 -0.07 1.08 0.00 0.00 0.00 173.10 174.27 1oxn s LEU 131 N 0.15 2.28 0.00 0.66 1.43 -0.12 -4.97 118.68 118.11 1oxn s LEU 131 Ca -0.04 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1oxn s LEU 131 Cb -0.14 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1oxn s LEU 131 CO 0.04 -0.24 0.36 0.00 0.23 0.00 0.00 176.35 176.73 1oxn n GLN 132 N 1.33 0.52 -3.53 1.70 10.64 -1.26 -0.09 117.38 126.69 1oxn n GLN 132 Ca -0.22 -1.74 -0.21 0.00 -1.83 0.00 0.00 57.00 53.00 1oxn n GLN 132 Cb 0.55 1.77 0.08 0.00 -0.86 0.00 0.00 30.24 31.79 1oxn n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1oxn n SER 133 N -1.70 -4.78 -4.74 2.61 7.64 -1.26 -4.95 113.62 106.44 1oxn n SER 133 Ca -0.01 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 1oxn n SER 133 Cb 0.38 -5.07 -0.03 0.00 -1.01 0.00 0.00 64.21 58.49 1oxn n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1oxn s TRP 134 N -3.33 3.11 0.20 1.43 0.52 -1.26 -5.03 118.94 114.58 1oxn s TRP 134 Ca 0.37 1.05 0.10 0.00 0.02 0.00 0.00 56.10 57.63 1oxn s TRP 134 Cb -0.16 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.36 1oxn s TRP 134 CO 0.73 -2.48 -0.19 0.15 0.02 0.00 0.00 176.95 175.18 1oxn s LYS 135 N -0.07 1.43 0.12 4.98 1.02 -1.26 -4.20 119.74 121.77 1oxn s LYS 135 Ca 0.60 -1.55 -0.35 0.00 0.02 0.00 0.00 55.97 54.69 1oxn s LYS 135 Cb -0.40 -1.52 -0.16 0.00 -0.52 0.00 0.00 37.83 35.22 1oxn s LYS 135 CO 0.40 0.30 1.22 -2.13 -0.92 0.00 0.00 175.35 174.22 1oxn n ARG 136 N -0.02 1.05 -0.07 1.68 0.63 -1.26 -1.51 116.66 117.15 1oxn n ARG 136 Ca -0.10 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1oxn n ARG 136 Cb 0.58 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1oxn n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oxn n GLY 137 N 2.21 0.97 3.72 5.14 0.00 -1.26 -5.04 105.19 110.93 1oxn n GLY 137 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1oxn n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oxn s ASP 138 N -2.76 6.86 -0.39 1.61 1.01 -0.57 -5.00 116.67 117.43 1oxn s ASP 138 Ca 0.00 2.35 -0.12 0.00 0.71 0.00 0.00 52.55 55.49 1oxn s ASP 138 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1oxn s ASP 138 CO 0.00 -0.59 0.23 -0.62 0.21 0.00 0.00 175.17 174.40 1oxn s ASP 139 N 0.78 5.82 0.47 0.27 -1.08 -1.26 -4.98 116.67 116.68 1oxn s ASP 139 Ca 0.61 -1.02 0.19 0.00 -0.52 0.00 0.00 52.55 51.80 1oxn s ASP 139 Cb -0.36 -2.05 1.17 0.00 -1.46 0.00 0.00 42.92 40.22 1oxn s ASP 139 CO 0.34 -0.42 1.97 -0.65 0.52 0.00 0.00 175.17 176.93 1oxn h PRO 140 N 8.48 0.25 -0.29 4.34 0.11 -1.95 0.30 132.00 143.25 1oxn h PRO 140 Ca -0.26 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1oxn h PRO 140 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1oxn h PRO 140 CO 0.69 0.17 -0.10 -1.49 -0.21 0.00 0.00 178.00 177.05 1oxn h TRP 141 N 0.26 0.66 -0.49 0.65 4.06 -1.89 0.27 115.95 119.47 1oxn h TRP 141 Ca 0.29 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 61.04 1oxn h TRP 141 Cb 0.80 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1oxn h TRP 141 CO -0.00 0.80 0.11 1.15 -3.56 0.00 0.00 178.44 176.93 1oxn h THR 142 N 0.33 1.24 -0.61 1.49 2.02 -1.63 -0.87 112.91 114.89 1oxn h THR 142 Ca 0.07 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1oxn h THR 142 Cb 0.60 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1oxn h THR 142 CO 0.04 0.31 0.20 -0.33 0.37 0.00 0.00 175.52 176.10 1oxn h GLU 143 N 0.67 0.94 -0.63 6.66 4.39 -0.45 0.88 114.58 127.04 1oxn h GLU 143 Ca 0.15 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.71 1oxn h GLU 143 Cb 0.35 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1oxn h GLU 143 CO 0.00 0.83 0.35 1.25 -1.16 0.00 0.00 179.01 180.28 1oxn h HIS 144 N 0.86 0.64 -0.02 4.33 2.76 -0.64 -1.84 115.15 121.24 1oxn h HIS 144 Ca 0.20 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.25 1oxn h HIS 144 Cb 0.28 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1oxn h HIS 144 CO 0.02 0.31 -0.63 0.00 -1.30 0.00 0.00 177.93 176.33 1oxn h ALA 145 N 1.33 0.91 -0.48 5.26 0.00 -0.63 -0.06 119.26 125.58 1oxn h ALA 145 Ca 0.28 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1oxn h ALA 145 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1oxn h ALA 145 CO -0.17 0.77 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 1oxn h LYS 146 N 0.06 0.91 0.00 0.00 3.64 -0.31 -3.29 116.57 117.59 1oxn h LYS 146 Ca -0.01 -0.34 -0.27 0.00 -1.27 0.00 0.00 60.65 58.76 1oxn h LYS 146 Cb 1.12 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1oxn h LYS 146 CO 0.09 0.99 -2.15 0.91 -2.27 0.00 0.00 179.45 177.02 1oxn n TRP 147 N -4.24 0.00 -3.10 1.91 7.02 -0.74 -4.69 117.44 113.59 1oxn n TRP 147 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1oxn n TRP 147 Cb 0.38 -0.80 -0.04 0.00 -2.42 0.00 0.00 31.31 28.43 1oxn n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1oxn n PHE 148 N -2.57 1.72 0.27 -5.99 3.72 -0.04 -4.95 117.46 109.62 1oxn n PHE 148 Ca -0.25 -3.89 0.16 0.00 -0.05 0.00 0.00 57.45 53.42 1oxn n PHE 148 Cb 0.98 -0.45 0.90 0.00 -0.94 0.00 0.00 39.48 39.98 1oxn n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxn h PRO 149 N 3.05 0.00 -0.41 -1.08 0.13 -1.70 -1.48 132.00 130.51 1oxn h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oxn h PRO 149 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1oxn h PRO 149 CO 0.63 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.27 1oxn n SER 150 N -3.80 3.19 -4.68 1.44 3.41 -1.26 -4.81 113.62 107.11 1oxn n SER 150 Ca -0.02 -1.95 -0.43 0.00 -0.26 0.00 0.00 58.87 56.21 1oxn n SER 150 Cb 0.16 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1oxn n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oxn h GLN 152 N 9.45 0.00 -0.12 0.00 4.20 -1.91 0.35 115.11 127.09 1oxn h GLN 152 Ca -0.48 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1oxn h GLN 152 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1oxn h GLN 152 CO 0.94 0.30 -0.04 0.35 -0.67 0.00 0.00 178.83 179.72 1oxn h PHE 153 N 0.00 0.26 -0.18 2.96 3.57 -1.96 -0.34 116.94 121.25 1oxn h PHE 153 Ca -0.00 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1oxn h PHE 153 Cb 1.02 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1oxn h PHE 153 CO 0.00 0.55 0.00 1.25 -2.23 0.00 0.00 178.31 177.88 1oxn h LEU 154 N -0.10 -0.06 -0.62 0.59 5.85 -1.84 -1.43 115.31 117.69 1oxn h LEU 154 Ca 0.03 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1oxn h LEU 154 Cb 0.47 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1oxn h LEU 154 CO 0.01 -0.01 0.07 -0.07 -0.34 0.00 0.00 178.44 178.11 1oxn h LEU 155 N 0.06 1.01 -0.59 2.25 3.38 -0.92 0.12 115.31 120.62 1oxn h LEU 155 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1oxn h LEU 155 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1oxn h LEU 155 CO -0.14 1.03 0.33 0.03 0.09 0.00 0.00 178.44 179.79 1oxn h ARG 156 N 0.96 0.82 0.04 1.13 2.47 -0.92 0.29 114.38 119.18 1oxn h ARG 156 Ca 0.19 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1oxn h ARG 156 Cb 0.47 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1oxn h ARG 156 CO 0.02 0.62 -0.02 0.77 0.56 0.00 0.00 179.97 181.92 1oxn h SER 157 N 0.80 -0.05 0.00 7.04 0.02 -1.03 -3.39 113.55 116.94 1oxn h SER 157 Ca 0.21 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1oxn h SER 157 Cb 0.03 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1oxn h SER 157 CO -0.03 0.49 -1.34 0.29 -1.14 0.00 0.00 176.83 175.10 1oxn n LYS 158 N -4.86 0.93 0.00 3.45 4.76 0.41 -5.10 118.16 117.75 1oxn n LYS 158 Ca -0.09 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1oxn n LYS 158 Cb 0.27 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1oxn n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oxn n GLY 159 N 1.72 -0.50 0.20 0.72 0.00 0.10 -4.32 105.19 103.12 1oxn n GLY 159 Ca -0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1oxn n GLY 159 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1oxn h ARG 160 N 0.00 0.63 -0.68 1.61 2.43 -1.94 -2.98 114.38 113.45 1oxn h ARG 160 Ca 0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1oxn h ARG 160 Cb 0.00 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1oxn h ARG 160 CO 0.00 0.82 0.42 -0.44 -1.51 0.00 0.00 179.97 179.26 1oxn h ASP 161 N 0.40 0.82 -0.46 -3.80 3.32 -1.98 0.23 116.42 114.97 1oxn h ASP 161 Ca 0.08 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1oxn h ASP 161 Cb 0.60 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1oxn h ASP 161 CO 0.04 0.64 0.17 0.15 -1.72 0.00 0.00 179.24 178.51 1oxn h PHE 162 N 0.93 0.71 -0.36 4.55 3.57 -1.74 0.14 116.94 124.73 1oxn h PHE 162 Ca 0.25 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1oxn h PHE 162 Cb -0.03 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1oxn h PHE 162 CO -0.01 0.62 0.09 0.28 -2.23 0.00 0.00 178.31 177.05 1oxn h VAL 163 N 0.60 1.22 -0.44 1.41 2.07 -1.27 -1.11 116.25 118.72 1oxn h VAL 163 Ca 0.15 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1oxn h VAL 163 Cb 0.22 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1oxn h VAL 163 CO -0.01 0.26 0.27 -0.74 0.02 0.00 0.00 177.57 177.37 1oxn h HIS 164 N 0.44 0.51 -0.24 1.57 -0.00 -0.43 0.27 115.15 117.28 1oxn h HIS 164 Ca 0.11 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1oxn h HIS 164 Cb 0.31 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1oxn h HIS 164 CO 0.02 0.31 0.05 1.03 -0.00 0.00 0.00 177.93 179.33 1oxn h SER 165 N 0.55 0.02 -0.59 3.26 0.87 -0.50 -0.89 113.55 116.28 1oxn h SER 165 Ca 0.17 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1oxn h SER 165 Cb -0.01 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1oxn h SER 165 CO -0.07 0.04 0.27 0.58 -0.53 0.00 0.00 176.83 177.12 1oxn h VAL 166 N 0.14 1.22 -0.90 2.23 2.07 -0.88 -2.19 116.25 117.94 1oxn h VAL 166 Ca 0.11 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1oxn h VAL 166 Cb 0.10 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1oxn h VAL 166 CO -0.14 0.25 0.59 1.56 0.02 0.00 0.00 177.57 179.86 1oxn h GLN 167 N 0.81 1.14 0.03 1.57 1.08 -0.10 -1.69 115.11 117.95 1oxn h GLN 167 Ca 0.20 -0.07 -0.23 0.00 -1.45 0.00 0.00 58.65 57.10 1oxn h GLN 167 Cb 0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1oxn h GLN 167 CO -0.02 0.75 -1.00 1.05 -0.95 0.00 0.00 178.83 178.66 1oxn h GLU 168 N 1.17 0.35 -0.01 1.46 4.11 -0.80 -3.28 114.58 117.58 1oxn h GLU 168 Ca 0.34 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1oxn h GLU 168 Cb -0.06 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1oxn h GLU 168 CO -0.09 1.11 -0.28 0.25 0.07 0.00 0.00 179.01 180.07 1oxn n THR 169 N -3.68 0.00 -2.86 -1.06 -2.24 -0.86 -4.10 114.28 99.48 1oxn n THR 169 Ca -0.07 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 1oxn n THR 169 Cb 0.87 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1oxn n THR 169 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oxn n HIS 170 N -0.52 2.50 -0.78 4.78 8.25 -0.65 -5.08 115.22 123.72 1oxn n HIS 170 Ca 0.12 -3.57 0.00 0.00 -0.26 0.00 0.00 57.72 54.01 1oxn n HIS 170 Cb 0.37 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1oxn n HIS 170 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85