#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxo s THR 75 N 0.00 4.99 0.13 1.12 -4.23 -1.26 -1.56 115.64 114.83 2oxo s THR 75 Ca 0.00 -0.67 -0.26 0.00 -1.18 0.00 0.00 61.69 59.58 2oxo s THR 75 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2oxo s THR 75 CO 0.00 -0.44 1.61 0.25 -0.54 0.00 0.00 174.62 175.50 2oxo h LEU 76 N 0.86 -0.97 -0.96 4.79 5.85 -0.81 0.39 115.31 124.46 2oxo h LEU 76 Ca -0.50 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2oxo h LEU 76 Cb 1.23 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2oxo h LEU 76 CO 0.60 -0.37 0.24 0.45 -0.34 0.00 0.00 178.44 179.03 2oxo h HIS 77 N -0.43 1.01 -0.92 1.25 3.86 -1.84 0.88 115.15 118.95 2oxo h HIS 77 Ca 0.08 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2oxo h HIS 77 Cb 0.55 -0.30 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 2oxo h HIS 77 CO -0.37 0.79 0.60 0.77 0.86 0.00 0.00 177.93 180.57 2oxo h SER 78 N 0.97 0.99 -0.39 2.45 0.02 -1.91 -2.06 113.55 113.62 2oxo h SER 78 Ca 0.22 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 2oxo h SER 78 Cb 0.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2oxo h SER 78 CO -0.01 0.67 -0.32 -0.25 -1.14 0.00 0.00 176.83 175.78 2oxo h TRP 79 N 1.15 1.07 -0.80 3.45 2.91 0.40 -2.63 115.95 121.50 2oxo h TRP 79 Ca 0.37 -0.30 0.08 0.00 1.13 0.00 0.00 58.89 60.16 2oxo h TRP 79 Cb 0.02 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 28.37 2oxo h TRP 79 CO -0.01 1.12 0.46 -0.07 -1.03 0.00 0.00 178.44 178.90 2oxo h LEU 80 N 0.71 0.68 -0.33 0.65 3.38 -0.68 0.44 115.31 120.17 2oxo h LEU 80 Ca 0.07 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2oxo h LEU 80 Cb 0.91 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2oxo h LEU 80 CO 0.08 0.41 -0.15 0.44 0.09 0.00 0.00 178.44 179.31 2oxo h ASP 81 N 0.81 -0.52 -0.12 -0.43 3.32 -1.13 0.58 116.42 118.93 2oxo h ASP 81 Ca 0.37 0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.48 2oxo h ASP 81 Cb 0.28 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2oxo h ASP 81 CO -0.22 -0.19 -0.12 0.03 -1.72 0.00 0.00 179.24 177.02 2oxo h ARG 82 N -0.10 0.46 -0.11 3.56 3.08 -0.88 -3.05 114.38 117.34 2oxo h ARG 82 Ca 0.17 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 2oxo h ARG 82 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2oxo h ARG 82 CO -0.39 0.58 -0.53 -0.92 -1.07 0.00 0.00 179.97 177.64 2oxo h TYR 83 N 0.43 0.38 -0.55 3.04 3.20 0.78 -2.44 116.97 121.82 2oxo h TYR 83 Ca 0.08 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2oxo h TYR 83 Cb 0.47 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2oxo h TYR 83 CO 0.01 0.78 0.36 0.93 -1.64 0.00 0.00 178.16 178.60 2oxo h GLU 84 N 0.24 0.58 -0.03 1.82 5.08 -0.81 -0.65 114.58 120.81 2oxo h GLU 84 Ca 0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2oxo h GLU 84 Cb 1.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2oxo h GLU 84 CO 0.09 0.38 -0.82 0.87 -1.00 0.00 0.00 179.01 178.53 2oxo h LYS 85 N 0.60 0.33 -0.41 2.33 6.56 -1.46 -1.43 116.57 123.09 2oxo h LYS 85 Ca 0.22 -0.32 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 2oxo h LYS 85 Cb 0.14 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2oxo h LYS 85 CO -0.06 0.99 0.13 0.82 -2.06 0.00 0.00 179.45 179.27 2oxo h ILE 86 N 0.21 1.21 -0.63 1.86 2.04 -1.02 -2.61 117.51 118.56 2oxo h ILE 86 Ca -0.05 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2oxo h ILE 86 Cb 1.42 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2oxo h ILE 86 CO 0.14 0.25 0.29 -0.07 0.00 0.00 0.00 178.15 178.76 2oxo h LEU 87 N 0.52 0.83 -1.56 1.44 3.38 -0.98 -2.26 115.31 116.68 2oxo h LEU 87 Ca 0.13 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2oxo h LEU 87 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2oxo h LEU 87 CO -0.00 0.74 0.43 0.00 0.09 0.00 0.00 178.44 179.69 2oxo h ALA 88 N 1.13 1.94 0.00 1.53 0.00 -1.10 -1.95 119.26 120.81 2oxo h ALA 88 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2oxo h ALA 88 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oxo h ALA 88 CO -0.03 -0.08 -0.37 0.43 0.00 0.00 0.00 179.25 179.20 2oxo n SER 89 N -4.48 0.46 0.13 0.00 7.64 -0.92 -4.01 113.62 112.45 2oxo n SER 89 Ca 0.10 0.09 0.01 0.00 1.01 0.00 0.00 58.87 60.09 2oxo n SER 89 Cb 0.35 -0.04 0.33 0.00 -1.01 0.00 0.00 64.21 63.85 2oxo n SER 89 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2oxo h ARG 90 N 0.00 0.17 -0.89 1.43 3.08 -0.80 -3.48 114.38 113.91 2oxo h ARG 90 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2oxo h ARG 90 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2oxo h ARG 90 CO 0.00 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 2oxo n GLY 91 N -0.57 0.76 3.82 0.04 0.00 -1.26 -5.07 105.19 102.92 2oxo n GLY 91 Ca -0.01 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2oxo n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oxo s ILE 92 N -2.48 4.85 0.38 -0.61 1.01 -1.26 -5.05 121.20 118.05 2oxo s ILE 92 Ca 0.00 1.08 -0.23 0.00 0.00 0.00 0.00 60.65 61.50 2oxo s ILE 92 Cb 0.00 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.50 2oxo s ILE 92 CO 0.00 0.56 0.55 0.29 0.00 0.00 0.00 174.94 176.34 2oxo n LYS 93 N 1.80 0.54 -0.07 2.79 4.01 -1.26 -4.64 118.16 121.33 2oxo n LYS 93 Ca -0.11 0.20 -0.07 0.00 -0.51 0.00 0.00 58.31 57.81 2oxo n LYS 93 Cb 0.51 -1.45 -0.01 0.00 -0.51 0.00 0.00 35.03 33.58 2oxo n LYS 93 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2oxo h GLN 94 N 0.90 0.05 -0.74 1.97 4.20 -2.00 -1.37 115.11 118.13 2oxo h GLN 94 Ca -0.39 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.34 2oxo h GLN 94 Cb 1.40 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 2oxo h GLN 94 CO 0.53 0.03 0.48 -0.22 -0.67 0.00 0.00 178.83 178.98 2oxo h LYS 95 N 0.05 0.93 -0.26 1.46 3.64 -2.01 -2.16 116.57 118.23 2oxo h LYS 95 Ca 0.14 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2oxo h LYS 95 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2oxo h LYS 95 CO -0.25 0.61 0.14 1.15 -2.27 0.00 0.00 179.45 178.83 2oxo h THR 96 N 0.95 1.12 -0.86 1.00 2.02 -1.82 -2.43 112.91 112.89 2oxo h THR 96 Ca 0.28 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2oxo h THR 96 Cb -0.05 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2oxo h THR 96 CO -0.08 0.12 0.56 0.25 0.37 0.00 0.00 175.52 176.74 2oxo h LEU 97 N 0.30 0.95 -0.42 2.58 7.12 -0.99 -0.39 115.31 124.46 2oxo h LEU 97 Ca 0.09 -0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.12 2oxo h LEU 97 Cb 0.07 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 39.93 2oxo h LEU 97 CO -0.01 0.67 0.19 0.40 -0.13 0.00 0.00 178.44 179.56 2oxo h ILE 98 N 1.12 0.94 -0.29 4.05 2.04 -1.28 0.14 117.51 124.23 2oxo h ILE 98 Ca 0.33 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 66.08 2oxo h ILE 98 Cb -0.06 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2oxo h ILE 98 CO -0.09 0.07 0.13 -1.13 0.00 0.00 0.00 178.15 177.13 2oxo h ASN 99 N 0.39 0.18 -0.42 1.72 -1.24 -0.92 -1.37 115.58 113.93 2oxo h ASN 99 Ca 0.19 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.26 2oxo h ASN 99 Cb 0.12 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 2oxo h ASN 99 CO -0.15 0.14 0.18 1.88 -1.29 0.00 0.00 177.43 178.19 2oxo h TYR 100 N 0.28 0.32 -0.78 0.67 -1.99 -0.74 -1.96 116.97 112.77 2oxo h TYR 100 Ca 0.12 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 2oxo h TYR 100 Cb 0.06 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.67 2oxo h TYR 100 CO -0.11 0.14 0.35 0.52 -0.00 0.00 0.00 178.16 179.06 2oxo h MET 101 N 0.36 1.15 -0.99 4.88 2.86 -0.51 -1.45 114.93 121.23 2oxo h MET 101 Ca 0.19 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2oxo h MET 101 Cb 0.15 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2oxo h MET 101 CO -0.17 0.91 0.65 1.03 1.06 0.00 0.00 176.91 180.39 2oxo h SER 102 N 1.12 1.14 0.42 1.22 0.87 -1.01 -1.75 113.55 115.55 2oxo h SER 102 Ca 0.27 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.66 2oxo h SER 102 Cb 0.16 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2oxo h SER 102 CO -0.03 0.82 -0.58 0.11 -0.53 0.00 0.00 176.83 176.63 2oxo h LYS 103 N 1.34 0.17 -0.86 2.24 1.79 -1.02 -0.99 116.57 119.23 2oxo h LYS 103 Ca 0.36 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 2oxo h LYS 103 Cb -0.15 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 2oxo h LYS 103 CO -0.08 0.70 0.45 0.82 -1.08 0.00 0.00 179.45 180.26 2oxo h ILE 104 N 0.12 1.26 -0.74 1.86 2.04 -0.94 -1.61 117.51 119.50 2oxo h ILE 104 Ca -0.00 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 2oxo h ILE 104 Cb 1.06 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2oxo h ILE 104 CO 0.09 0.29 0.31 0.50 0.00 0.00 0.00 178.15 179.34 2oxo h LYS 105 N 1.21 1.10 -0.85 2.37 3.64 -0.80 -0.70 116.57 122.54 2oxo h LYS 105 Ca 0.30 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2oxo h LYS 105 Cb 0.06 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2oxo h LYS 105 CO -0.04 0.89 0.55 0.00 -2.27 0.00 0.00 179.45 178.58 2oxo h ALA 106 N 1.16 1.08 -0.20 5.00 0.00 -0.94 -1.72 119.26 123.64 2oxo h ALA 106 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2oxo h ALA 106 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2oxo h ALA 106 CO -0.02 0.50 0.09 0.82 0.00 0.00 0.00 179.25 180.64 2oxo h ILE 107 N 1.16 1.15 -0.58 0.00 2.04 -0.55 0.68 117.51 121.41 2oxo h ILE 107 Ca 0.31 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2oxo h ILE 107 Cb -0.11 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2oxo h ILE 107 CO -0.06 0.14 0.26 0.03 0.00 0.00 0.00 178.15 178.52 2oxo h ARG 108 N 0.18 0.46 -0.37 2.37 3.08 -0.86 0.14 114.38 119.39 2oxo h ARG 108 Ca 0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 2oxo h ARG 108 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2oxo h ARG 108 CO -0.01 0.31 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.07 2oxo h ARG 109 N 0.48 0.60 0.00 0.04 9.65 -1.27 -3.32 114.38 120.55 2oxo h ARG 109 Ca 0.27 -0.15 -0.16 0.00 -1.10 0.00 0.00 59.98 58.85 2oxo h ARG 109 Cb 0.26 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2oxo h ARG 109 CO -0.23 0.65 -1.15 0.78 2.80 0.00 0.00 179.97 182.82 2oxo h GLY 110 N 0.91 0.00 -4.34 2.80 0.00 0.39 -3.48 103.07 99.36 2oxo h GLY 110 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.99 2oxo h GLY 110 CO 0.02 0.00 -0.79 1.08 0.00 0.00 0.00 176.54 176.85 2oxo s LEU 111 N -6.03 2.29 0.79 3.11 1.43 0.37 -4.75 118.68 115.89 2oxo s LEU 111 Ca -0.01 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 2oxo s LEU 111 Cb 0.08 -0.61 0.07 0.00 0.03 0.00 0.00 46.19 45.76 2oxo s LEU 111 CO 0.79 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 176.26 2oxo s PRO 112 N -1.85 2.13 -1.52 1.29 0.04 -1.26 -4.67 135.00 129.16 2oxo s PRO 112 Ca 0.01 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2oxo s PRO 112 Cb -0.10 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2oxo s PRO 112 CO 0.03 -1.61 2.61 -3.47 0.04 0.00 0.00 177.00 174.59 2oxo n ASP 113 N -3.44 7.03 -4.74 6.66 2.03 -1.26 -4.57 116.55 118.26 2oxo n ASP 113 Ca 0.07 -2.76 -0.26 0.00 0.52 0.00 0.00 54.79 52.37 2oxo n ASP 113 Cb 0.56 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 39.33 2oxo n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oxo s ALA 114 N 1.92 3.41 0.16 -1.67 0.00 -1.26 -4.61 121.76 119.71 2oxo s ALA 114 Ca 0.59 -1.32 -0.33 0.00 0.00 0.00 0.00 51.96 50.90 2oxo s ALA 114 Cb 0.16 -1.18 -0.16 0.00 0.00 0.00 0.00 23.12 21.94 2oxo s ALA 114 CO -0.07 0.45 1.06 -2.30 0.00 0.00 0.00 175.76 174.91 2oxo n PRO 115 N -0.39 0.87 -0.30 0.00 -0.02 -1.26 -0.17 135.00 133.73 2oxo n PRO 115 Ca -0.09 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 2oxo n PRO 115 Cb 0.55 -1.74 0.27 0.00 -0.02 0.00 0.00 33.50 32.57 2oxo n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2oxo h LEU 116 N 2.96 -0.12 -1.78 2.45 4.07 -1.59 0.13 115.31 121.43 2oxo h LEU 116 Ca -0.42 0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2oxo h LEU 116 Cb 1.37 0.31 0.00 0.00 1.08 0.00 0.00 40.66 43.42 2oxo h LEU 116 CO 0.67 -0.19 0.00 -0.33 -1.08 0.00 0.00 178.44 177.51 2oxo h GLU 117 N 0.16 0.00 0.00 1.13 5.08 -1.88 -2.86 114.58 116.20 2oxo h GLU 117 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2oxo h GLU 117 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2oxo h GLU 117 CO -0.70 0.00 -0.33 -0.25 -1.00 0.00 0.00 179.01 176.74 2oxo n ASP 118 N -2.92 0.57 -4.67 1.42 8.00 0.45 -4.81 116.55 114.60 2oxo n ASP 118 Ca -0.00 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 2oxo n ASP 118 Cb 0.21 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2oxo n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oxo s ILE 119 N -3.09 3.73 0.16 0.53 -1.09 -1.08 -5.00 121.20 115.36 2oxo s ILE 119 Ca 0.10 0.95 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2oxo s ILE 119 Cb 0.15 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 2oxo s ILE 119 CO 0.65 -0.07 0.29 0.42 -1.23 0.00 0.00 174.94 175.00 2oxo s THR 120 N 3.54 5.29 0.25 2.92 -4.23 -1.26 -4.98 115.64 117.17 2oxo s THR 120 Ca 0.67 -0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2oxo s THR 120 Cb -0.31 -3.75 0.38 0.00 1.34 0.00 0.00 72.50 70.16 2oxo s THR 120 CO 0.26 -0.12 1.33 0.41 -0.54 0.00 0.00 174.62 175.95 2oxo n THR 121 N -0.65 -0.36 -0.12 3.99 -1.04 -1.26 -1.45 114.28 113.39 2oxo n THR 121 Ca -0.07 1.91 -0.10 0.00 -2.04 0.00 0.00 64.05 63.74 2oxo n THR 121 Cb 0.54 -2.71 -0.02 0.00 -1.82 0.00 0.00 70.33 66.32 2oxo n THR 121 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2oxo h LYS 122 N 0.00 0.60 -0.61 -2.82 6.56 -1.98 -0.69 116.57 117.63 2oxo h LYS 122 Ca 0.46 -0.17 -0.08 0.00 -1.06 0.00 0.00 60.65 59.80 2oxo h LYS 122 Cb 0.83 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 2oxo h LYS 122 CO -0.84 0.69 0.07 0.93 -2.06 0.00 0.00 179.45 178.24 2oxo h GLU 123 N 0.42 1.03 -0.18 3.15 5.08 -1.82 -1.04 114.58 121.21 2oxo h GLU 123 Ca 0.10 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2oxo h GLU 123 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2oxo h GLU 123 CO 0.01 0.98 0.11 0.82 -1.00 0.00 0.00 179.01 179.93 2oxo h ILE 124 N 0.93 1.07 -0.69 3.13 2.04 -1.08 -2.10 117.51 120.83 2oxo h ILE 124 Ca 0.18 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2oxo h ILE 124 Cb 0.47 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2oxo h ILE 124 CO 0.02 0.07 0.38 0.00 0.00 0.00 0.00 178.15 178.62 2oxo h ALA 125 N 1.03 0.88 -0.41 1.87 0.00 -1.05 -1.73 119.26 119.84 2oxo h ALA 125 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2oxo h ALA 125 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2oxo h ALA 125 CO -0.01 0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.88 2oxo h ALA 126 N 1.19 0.53 0.01 0.00 0.00 -1.08 0.11 119.26 120.01 2oxo h ALA 126 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2oxo h ALA 126 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2oxo h ALA 126 CO -0.04 0.02 -0.05 1.98 0.00 0.00 0.00 179.25 181.15 2oxo h MET 127 N 0.55 -0.09 -0.48 0.00 -1.53 -1.19 -2.91 114.93 109.28 2oxo h MET 127 Ca 0.15 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.40 2oxo h MET 127 Cb -0.01 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 2oxo h MET 127 CO -0.03 -0.06 0.25 -0.07 0.14 0.00 0.00 176.91 177.14 2oxo h LEU 128 N -0.10 0.60 -1.62 3.39 3.38 -1.16 -3.10 115.31 116.71 2oxo h LEU 128 Ca 0.02 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2oxo h LEU 128 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2oxo h LEU 128 CO -0.05 0.53 0.32 0.78 0.09 0.00 0.00 178.44 180.11 2oxo h ASN 129 N 0.63 0.43 -0.97 -0.43 2.35 -0.81 -1.10 115.58 115.68 2oxo h ASN 129 Ca 0.17 -0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.03 2oxo h ASN 129 Cb 0.07 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.26 2oxo h ASN 129 CO -0.03 0.29 0.62 1.23 -1.65 0.00 0.00 177.43 177.89 2oxo h GLY 130 N 0.49 1.52 0.27 2.83 0.00 -1.43 0.88 103.07 107.64 2oxo h GLY 130 Ca 0.20 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2oxo h GLY 130 CO -0.05 0.16 -0.00 -0.97 0.00 0.00 0.00 176.54 175.67 2oxo h TYR 131 N 0.94 -0.01 -0.75 5.60 -1.99 -1.32 -3.29 116.97 116.15 2oxo h TYR 131 Ca 0.48 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.30 2oxo h TYR 131 Cb 0.51 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.18 2oxo h TYR 131 CO -0.00 0.71 0.40 0.82 -0.00 0.00 0.00 178.16 180.09 2oxo h ILE 132 N -0.74 0.88 -0.13 -2.88 2.04 -1.07 -0.59 117.51 115.02 2oxo h ILE 132 Ca -0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2oxo h ILE 132 Cb 0.72 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2oxo h ILE 132 CO 0.00 0.13 -0.11 0.44 0.00 0.00 0.00 178.15 178.61 2oxo h ASP 133 N 0.69 0.19 0.36 1.72 3.32 -0.94 -1.68 116.42 120.07 2oxo h ASP 133 Ca 0.36 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2oxo h ASP 133 Cb 0.35 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2oxo h ASP 133 CO -0.25 0.33 -0.27 -0.62 -1.72 0.00 0.00 179.24 176.70 2oxo n GLU 134 N -4.31 0.58 -0.41 3.56 1.02 -0.97 -4.93 120.64 115.18 2oxo n GLU 134 Ca -0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2oxo n GLU 134 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2oxo n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oxo n GLY 135 N 1.37 0.79 2.88 0.62 0.00 -0.63 -5.00 105.19 105.22 2oxo n GLY 135 Ca 0.11 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2oxo n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oxo n LYS 136 N -2.41 3.48 0.01 1.61 5.02 -0.27 -4.82 118.16 120.78 2oxo n LYS 136 Ca 0.00 -3.38 -0.12 0.00 -2.02 0.00 0.00 58.31 52.79 2oxo n LYS 136 Cb 0.00 -3.00 -0.09 0.00 -0.02 0.00 0.00 35.03 31.92 2oxo n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oxo h ALA 137 N 5.87 -0.12 -0.82 7.82 0.00 -1.90 -1.42 119.26 128.70 2oxo h ALA 137 Ca 0.42 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2oxo h ALA 137 Cb 0.64 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2oxo h ALA 137 CO 1.65 -0.24 0.38 0.00 0.00 0.00 0.00 179.25 181.04 2oxo h ALA 138 N -0.01 1.21 -0.01 0.00 0.00 -1.99 -2.17 119.26 116.30 2oxo h ALA 138 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2oxo h ALA 138 Cb 0.58 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2oxo h ALA 138 CO 0.02 -0.17 0.00 0.77 0.00 0.00 0.00 179.25 179.87 2oxo h SER 139 N 0.52 0.01 -0.93 0.00 0.02 -1.93 -2.50 113.55 108.74 2oxo h SER 139 Ca 0.46 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2oxo h SER 139 Cb 0.70 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 2oxo h SER 139 CO -0.40 0.32 0.61 0.00 -1.14 0.00 0.00 176.83 176.21 2oxo h ALA 140 N 0.70 1.47 -0.20 3.77 0.00 -1.19 0.63 119.26 124.44 2oxo h ALA 140 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2oxo h ALA 140 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2oxo h ALA 140 CO 0.00 0.40 0.08 -0.22 0.00 0.00 0.00 179.25 179.51 2oxo h LYS 141 N 1.09 0.30 -0.13 0.00 3.64 -1.34 -2.10 116.57 118.03 2oxo h LYS 141 Ca 0.40 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.50 2oxo h LYS 141 Cb 0.16 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2oxo h LYS 141 CO -0.15 0.35 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.50 2oxo h LEU 142 N 0.17 0.94 -0.35 5.20 3.38 -1.13 -1.05 115.31 122.46 2oxo h LEU 142 Ca 0.07 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.41 2oxo h LEU 142 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2oxo h LEU 142 CO -0.01 1.43 0.23 0.40 0.09 0.00 0.00 178.44 180.58 2oxo h ILE 143 N 0.52 1.08 -0.31 1.22 2.04 -0.88 0.59 117.51 121.77 2oxo h ILE 143 Ca -0.06 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2oxo h ILE 143 Cb 1.45 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2oxo h ILE 143 CO 0.17 0.08 0.14 -0.09 0.00 0.00 0.00 178.15 178.45 2oxo h ARG 144 N 0.46 0.29 -0.58 2.37 2.43 -1.33 -0.35 114.38 117.67 2oxo h ARG 144 Ca 0.13 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2oxo h ARG 144 Cb -0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2oxo h ARG 144 CO -0.04 0.19 -0.01 1.03 -1.51 0.00 0.00 179.97 179.63 2oxo h SER 145 N 0.30 1.00 -0.34 -3.80 0.87 -0.87 -1.37 113.55 109.34 2oxo h SER 145 Ca 0.13 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2oxo h SER 145 Cb 0.06 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2oxo h SER 145 CO -0.10 1.06 0.05 0.74 -0.53 0.00 0.00 176.83 178.05 2oxo h THR 146 N 0.94 1.24 -0.51 2.23 2.02 -0.72 -1.41 112.91 116.69 2oxo h THR 146 Ca 0.17 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 2oxo h THR 146 Cb 0.56 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2oxo h THR 146 CO 0.03 0.28 0.25 0.25 0.37 0.00 0.00 175.52 176.71 2oxo h LEU 147 N 0.40 0.66 -0.02 2.58 6.46 -0.94 -0.96 115.31 123.47 2oxo h LEU 147 Ca 0.10 -0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2oxo h LEU 147 Cb 0.37 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2oxo h LEU 147 CO 0.01 0.59 -0.34 -1.28 -0.62 0.00 0.00 178.44 176.80 2oxo h SER 148 N 0.68 -1.02 -0.64 1.25 0.87 -1.22 0.47 113.55 113.94 2oxo h SER 148 Ca 0.18 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 2oxo h SER 148 Cb 0.10 0.41 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2oxo h SER 148 CO -0.02 -0.39 0.40 -0.78 -0.53 0.00 0.00 176.83 175.50 2oxo h ASP 149 N -0.48 0.65 -0.51 6.23 3.58 -1.14 -0.39 116.42 124.37 2oxo h ASP 149 Ca 0.06 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.61 2oxo h ASP 149 Cb 0.57 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 2oxo h ASP 149 CO -0.29 0.45 0.07 0.00 -2.88 0.00 0.00 179.24 176.60 2oxo h ALA 150 N 1.27 0.55 -0.81 -0.78 0.00 -0.91 -1.15 119.26 117.43 2oxo h ALA 150 Ca 0.26 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2oxo h ALA 150 Cb 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2oxo h ALA 150 CO -0.10 -0.34 0.54 0.74 0.00 0.00 0.00 179.25 180.09 2oxo h PHE 151 N 0.20 1.02 -0.92 0.00 -1.00 -0.48 -1.22 116.94 114.54 2oxo h PHE 151 Ca 0.26 0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.09 2oxo h PHE 151 Cb 0.37 -0.34 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 2oxo h PHE 151 CO -0.26 0.64 0.60 0.00 -1.61 0.00 0.00 178.31 177.68 2oxo h ARG 152 N 1.10 1.16 -0.57 1.51 3.08 -0.53 0.01 114.38 120.14 2oxo h ARG 152 Ca 0.30 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 2oxo h ARG 152 Cb -0.12 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.65 2oxo h ARG 152 CO -0.07 0.77 -0.05 0.93 -1.07 0.00 0.00 179.97 180.49 2oxo h GLU 153 N 1.19 1.02 -0.47 0.04 4.39 -1.01 -1.81 114.58 117.93 2oxo h GLU 153 Ca 0.35 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2oxo h GLU 153 Cb -0.06 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2oxo h GLU 153 CO -0.10 1.03 0.08 0.00 -1.16 0.00 0.00 179.01 178.86 2oxo h ALA 154 N 1.01 1.25 0.08 3.43 0.00 -0.67 -1.36 119.26 123.00 2oxo h ALA 154 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2oxo h ALA 154 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2oxo h ALA 154 CO 0.04 0.51 -0.06 0.82 0.00 0.00 0.00 179.25 180.55 2oxo h ILE 155 N 0.70 0.85 -0.70 0.00 2.04 -0.81 -0.65 117.51 118.95 2oxo h ILE 155 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 2oxo h ILE 155 Cb 0.32 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2oxo h ILE 155 CO 0.00 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.62 2oxo h ALA 156 N 0.77 1.96 -0.02 1.87 0.00 -0.95 -0.48 119.26 122.42 2oxo h ALA 156 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2oxo h ALA 156 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2oxo h ALA 156 CO -0.01 -0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.51 2oxo n GLU 157 N -4.48 1.52 -0.66 0.00 -0.58 -0.55 -4.96 120.64 110.93 2oxo n GLU 157 Ca 0.12 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 2oxo n GLU 157 Cb 0.39 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2oxo n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2oxo n GLY 158 N 1.13 0.61 0.07 0.62 0.00 -0.19 -4.97 105.19 102.46 2oxo n GLY 158 Ca 0.20 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2oxo n GLY 158 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2oxo n HIS 159 N -2.66 0.55 -4.05 1.61 8.25 -0.34 -4.93 115.22 113.64 2oxo n HIS 159 Ca 0.00 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 2oxo n HIS 159 Cb 0.00 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.32 2oxo n HIS 159 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2oxo s ILE 160 N -3.39 0.00 0.00 1.59 -4.36 -1.25 -4.87 121.20 108.93 2oxo s ILE 160 Ca -0.02 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2oxo s ILE 160 Cb 0.12 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.52 2oxo s ILE 160 CO 0.83 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.36 2oxo n THR 161 N -0.37 0.00 -4.12 8.37 -2.24 -1.26 -4.19 114.28 110.47 2oxo n THR 161 Ca -0.01 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 2oxo n THR 161 Cb 0.63 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 2oxo n THR 161 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oxo s THR 162 N -1.26 0.12 -0.35 4.28 -4.23 -1.26 -5.06 115.64 107.89 2oxo s THR 162 Ca 0.00 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2oxo s THR 162 Cb 0.00 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.94 2oxo s THR 162 CO 0.00 -0.56 0.15 0.21 -0.54 0.00 0.00 174.62 173.88 2oxo s ASN 163 N -3.02 5.47 0.39 3.99 3.84 -1.26 -4.97 114.94 119.38 2oxo s ASN 163 Ca 0.20 -0.99 0.20 0.00 0.21 0.00 0.00 52.86 52.49 2oxo s ASN 163 Cb 0.07 -1.94 0.72 0.00 -0.55 0.00 0.00 41.25 39.56 2oxo s ASN 163 CO -0.01 -0.32 1.75 0.45 -2.79 0.00 0.00 177.10 176.18 2oxo h HIS 164 N 8.32 0.00 0.00 0.43 3.86 -1.96 -3.03 115.15 122.77 2oxo h HIS 164 Ca -0.26 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.91 2oxo h HIS 164 Cb 1.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2oxo h HIS 164 CO 0.59 0.33 -0.21 0.28 0.86 0.00 0.00 177.93 179.78 2oxo h VAL 165 N 0.00 1.03 0.00 2.45 2.07 -1.93 -3.44 116.25 116.43 2oxo h VAL 165 Ca -0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2oxo h VAL 165 Cb 0.87 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2oxo h VAL 165 CO 0.04 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.84