#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwg n ASP 74 N 0.00 0.11 0.29 6.55 9.92 -1.26 -3.50 116.55 128.67 3kwg n ASP 74 Ca 0.00 0.52 0.15 0.00 -0.53 0.00 0.00 54.79 54.93 3kwg n ASP 74 Cb 0.00 -0.55 0.91 0.00 -0.64 0.00 0.00 41.12 40.84 3kwg n ASP 74 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3kwg h ASP 75 N 0.00 0.00 -0.94 -2.24 3.32 -1.98 -3.18 116.42 111.39 3kwg h ASP 75 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3kwg h ASP 75 Cb 0.40 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 3kwg h ASP 75 CO 0.00 0.02 0.61 0.44 -1.72 0.00 0.00 179.24 178.59 3kwg h ASP 76 N 0.00 0.93 0.50 6.45 3.32 -1.99 0.92 116.42 126.55 3kwg h ASP 76 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kwg h ASP 76 Cb 0.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3kwg h ASP 76 CO 0.00 0.58 0.00 0.47 -1.72 0.00 0.00 179.24 178.57 3kwg n ASP 77 N -4.51 0.00 -1.05 6.45 8.00 -1.20 -3.28 116.55 120.96 3kwg n ASP 77 Ca 0.15 -0.20 0.11 0.00 0.71 0.00 0.00 54.79 55.55 3kwg n ASP 77 Cb 0.23 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.27 3kwg n ASP 77 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kwg n LYS 78 N -1.26 2.39 -3.40 -1.24 5.02 0.30 -4.98 118.16 114.99 3kwg n LYS 78 Ca 0.15 -2.19 -0.37 0.00 -2.02 0.00 0.00 58.31 53.88 3kwg n LYS 78 Cb 0.22 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 3kwg n LYS 78 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kwg s MET 79 N -1.33 3.99 0.26 1.97 -1.94 -1.13 -4.97 119.30 116.15 3kwg s MET 79 Ca 0.35 0.49 -0.17 0.00 -1.71 0.00 0.00 55.69 54.65 3kwg s MET 79 Cb 0.20 -3.09 -0.08 0.00 2.01 0.00 0.00 34.83 33.87 3kwg s MET 79 CO 0.28 0.58 0.71 0.95 -0.01 0.00 0.00 175.02 177.54 3kwg s THR 80 N -1.27 4.65 -0.18 2.05 -4.23 -1.26 -5.05 115.64 110.34 3kwg s THR 80 Ca 0.31 1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 61.76 3kwg s THR 80 Cb -0.16 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3kwg s THR 80 CO 0.17 0.05 0.39 -0.32 -0.54 0.00 0.00 174.62 174.37 3kwg s MET 81 N -2.40 4.21 0.47 3.99 1.75 -1.26 -4.97 119.30 121.10 3kwg s MET 81 Ca 0.47 0.22 0.14 0.00 -1.25 0.00 0.00 55.69 55.27 3kwg s MET 81 Cb -0.14 -3.50 1.08 0.00 2.84 0.00 0.00 34.83 35.11 3kwg s MET 81 CO 0.19 0.04 2.05 0.00 -0.65 0.00 0.00 175.02 176.65 3kwg h ALA 82 N 7.15 1.80 0.00 4.11 0.00 -2.04 -2.32 119.26 127.95 3kwg h ALA 82 Ca -0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kwg h ALA 82 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kwg h ALA 82 CO 0.73 0.15 0.00 0.66 0.00 0.00 0.00 179.25 180.79 3kwg h SER 83 N 0.04 0.00 -2.55 0.00 4.64 -2.05 -3.44 113.55 110.20 3kwg h SER 83 Ca 0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 3kwg h SER 83 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3kwg h SER 83 CO 0.01 0.00 1.12 -0.89 -0.87 0.00 0.00 176.83 176.20 3kwg s THR 84 N -3.54 3.25 0.14 2.95 2.01 -0.88 -4.94 115.64 114.64 3kwg s THR 84 Ca 0.02 0.42 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 3kwg s THR 84 Cb 0.09 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 3kwg s THR 84 CO 0.50 -0.03 1.56 -2.84 -0.69 0.00 0.00 174.62 173.13 3kwg s PRO 85 N 3.83 4.22 -0.21 4.92 0.02 -1.26 -4.98 135.00 141.54 3kwg s PRO 85 Ca 0.79 2.33 -0.09 0.00 0.02 0.00 0.00 61.00 64.05 3kwg s PRO 85 Cb -0.38 -3.23 0.09 0.00 0.02 0.00 0.00 34.50 30.99 3kwg s PRO 85 CO 0.34 -0.61 0.47 0.00 -0.33 0.00 0.00 177.00 176.87 3kwg s ALA 86 N 1.37 -1.31 0.07 -1.55 0.00 -1.26 -4.72 121.76 114.36 3kwg s ALA 86 Ca 0.70 1.71 0.06 0.00 0.00 0.00 0.00 51.96 54.43 3kwg s ALA 86 Cb -0.42 -1.27 -0.23 0.00 0.00 0.00 0.00 23.12 21.19 3kwg s ALA 86 CO 0.31 -0.59 1.09 1.03 0.00 0.00 0.00 175.76 177.60 3kwg h SER 87 N 7.72 0.10 -4.66 0.00 0.87 -0.76 -3.48 113.55 113.34 3kwg h SER 87 Ca -0.24 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.07 3kwg h SER 87 Cb 1.14 -0.03 -0.22 0.00 -0.44 0.00 0.00 62.40 62.85 3kwg h SER 87 CO 0.17 1.10 -0.36 -0.13 -0.53 0.00 0.00 176.83 177.08 3kwg s ARG 88 N -2.67 0.53 -0.27 2.24 0.52 -0.99 -5.01 118.95 113.29 3kwg s ARG 88 Ca -0.02 -0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.05 3kwg s ARG 88 Cb 0.09 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.80 3kwg s ARG 88 CO 0.83 -0.13 0.04 0.71 0.02 0.00 0.00 175.30 176.78 3kwg s TYR 89 N -0.93 3.10 -0.14 -0.53 1.51 -1.26 -0.84 117.35 118.26 3kwg s TYR 89 Ca -0.10 -0.96 -0.21 0.00 -1.01 0.00 0.00 57.07 54.79 3kwg s TYR 89 Cb -0.05 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 3kwg s TYR 89 CO 0.02 -0.56 0.61 0.42 -1.11 0.00 0.00 175.55 174.94 3kwg s ILE 90 N 1.49 5.07 -0.56 2.71 -1.09 0.10 -4.99 121.20 123.94 3kwg s ILE 90 Ca 0.03 1.20 0.06 0.00 -2.23 0.00 0.00 60.65 59.71 3kwg s ILE 90 Cb -0.16 -3.94 0.21 0.00 -1.58 0.00 0.00 42.46 36.98 3kwg s ILE 90 CO 0.01 0.20 0.53 0.35 -1.23 0.00 0.00 174.94 174.80 3kwg n THR 91 N 4.18 0.70 -0.14 2.92 -2.24 -1.26 -1.36 114.28 117.07 3kwg n THR 91 Ca -0.03 -4.45 0.00 0.00 -2.27 0.00 0.00 64.05 57.30 3kwg n THR 91 Cb 0.51 -1.99 0.26 0.00 -2.10 0.00 0.00 70.33 67.00 3kwg n THR 91 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kwg h ASP 92 N 4.85 0.75 -2.90 3.42 3.32 -1.79 -3.43 116.42 120.64 3kwg h ASP 92 Ca 0.18 -0.06 -0.63 0.00 0.02 0.00 0.00 57.03 56.54 3kwg h ASP 92 Cb 0.79 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3kwg h ASP 92 CO 0.62 0.61 -0.38 -0.04 -1.72 0.00 0.00 179.24 178.33 3kwg s MET 93 N -5.56 3.58 0.92 3.56 -1.94 -1.26 -4.91 119.30 113.69 3kwg s MET 93 Ca -0.10 -0.06 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 3kwg s MET 93 Cb 0.17 -3.08 0.14 0.00 2.01 0.00 0.00 34.83 34.07 3kwg s MET 93 CO 0.78 0.65 1.16 0.95 -0.01 0.00 0.00 175.02 178.56 3kwg s THR 94 N -1.29 1.97 0.17 2.05 -4.23 -1.26 -4.79 115.64 108.27 3kwg s THR 94 Ca 0.27 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.62 3kwg s THR 94 Cb -0.13 -2.81 0.11 0.00 1.34 0.00 0.00 72.50 71.01 3kwg s THR 94 CO 0.16 0.00 1.67 0.40 -0.54 0.00 0.00 174.62 176.31 3kwg h ILE 95 N -1.50 0.60 -0.64 2.99 2.04 -1.99 -0.36 117.51 118.65 3kwg h ILE 95 Ca -0.49 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3kwg h ILE 95 Cb 1.32 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3kwg h ILE 95 CO 0.58 0.01 0.36 -0.08 0.00 0.00 0.00 178.15 179.02 3kwg h GLU 96 N 0.04 0.66 -0.21 2.37 4.22 -1.98 -1.89 114.58 117.80 3kwg h GLU 96 Ca 0.21 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.52 3kwg h GLU 96 Cb 0.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kwg h GLU 96 CO -0.41 0.44 -0.22 0.93 -2.18 0.00 0.00 179.01 177.56 3kwg h GLU 97 N 0.68 0.53 -0.82 1.92 5.08 -1.80 -1.34 114.58 118.83 3kwg h GLU 97 Ca 0.28 -0.28 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3kwg h GLU 97 Cb 0.14 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 3kwg h GLU 97 CO -0.16 0.87 0.47 -0.07 -1.00 0.00 0.00 179.01 179.11 3kwg h LEU 98 N 0.21 0.67 -0.15 1.33 3.38 -0.96 -3.19 115.31 116.59 3kwg h LEU 98 Ca 0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kwg h LEU 98 Cb 0.78 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kwg h LEU 98 CO 0.05 0.38 -0.76 -1.54 0.09 0.00 0.00 178.44 176.67 3kwg n SER 99 N -4.75 0.99 -4.69 -0.43 3.41 -0.72 -4.97 113.62 102.46 3kwg n SER 99 Ca 0.13 -0.86 -0.44 0.00 -0.26 0.00 0.00 58.87 57.45 3kwg n SER 99 Cb 0.27 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 3kwg n SER 99 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kwg n ARG 100 N -1.28 2.33 -2.62 4.33 0.63 -0.51 -4.97 116.66 114.57 3kwg n ARG 100 Ca 0.05 0.83 -0.41 0.00 -0.92 0.00 0.00 57.85 57.41 3kwg n ARG 100 Cb 0.35 -2.58 -0.05 0.00 0.45 0.00 0.00 32.46 30.63 3kwg n ARG 100 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kwg s ASP 101 N 0.63 7.43 0.03 6.15 1.01 -1.26 -5.05 116.67 125.62 3kwg s ASP 101 Ca 0.71 2.02 0.01 0.00 0.71 0.00 0.00 52.55 56.00 3kwg s ASP 101 Cb -0.60 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 40.70 3kwg s ASP 101 CO 0.44 -0.06 -0.05 -1.66 0.21 0.00 0.00 175.17 174.05 3kwg s TRP 102 N -0.63 0.45 -0.06 4.23 1.48 -1.26 -5.07 118.94 118.08 3kwg s TRP 102 Ca 0.45 -0.54 0.05 0.00 -1.06 0.00 0.00 56.10 55.00 3kwg s TRP 102 Cb -0.28 -0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 31.74 3kwg s TRP 102 CO 0.34 -0.15 -0.21 -0.06 -4.06 0.00 0.00 176.95 172.81 3kwg s PHE 103 N -1.53 2.16 -0.15 1.66 0.08 -1.26 -5.11 117.98 113.83 3kwg s PHE 103 Ca -0.12 -0.72 -0.23 0.00 0.12 0.00 0.00 56.93 55.97 3kwg s PHE 103 Cb -0.09 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3kwg s PHE 103 CO -0.01 -0.26 0.73 -1.64 -0.10 0.00 0.00 175.22 173.95 3kwg s MET 104 N 0.11 4.32 0.03 0.44 -1.94 -1.26 -4.97 119.30 116.03 3kwg s MET 104 Ca -0.09 0.86 -0.22 0.00 -1.71 0.00 0.00 55.69 54.53 3kwg s MET 104 Cb -0.14 -3.54 -0.15 0.00 2.01 0.00 0.00 34.83 33.01 3kwg s MET 104 CO 0.05 -0.18 1.40 -0.07 -0.01 0.00 0.00 175.02 176.20 3kwg h LEU 105 N 7.81 0.22 -7.24 -0.03 4.07 -1.95 -3.36 115.31 114.83 3kwg h LEU 105 Ca -0.33 -0.39 -0.65 0.00 0.08 0.00 0.00 57.88 56.58 3kwg h LEU 105 Cb 1.15 -0.06 -0.40 0.00 1.08 0.00 0.00 40.66 42.44 3kwg h LEU 105 CO 0.79 0.56 -0.48 -0.04 -1.08 0.00 0.00 178.44 178.19 3kwg s MET 106 N -4.64 2.51 0.13 1.13 -1.94 -1.26 -4.98 119.30 110.26 3kwg s MET 106 Ca -0.15 -3.10 -0.31 0.00 -1.71 0.00 0.00 55.69 50.42 3kwg s MET 106 Cb 0.05 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.27 3kwg s MET 106 CO 0.71 -1.23 1.53 -2.14 -0.01 0.00 0.00 175.02 173.88 3kwg s PRO 107 N -1.06 4.24 -0.09 2.03 0.02 -1.26 -1.30 135.00 137.59 3kwg s PRO 107 Ca 0.23 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 3kwg s PRO 107 Cb -0.11 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3kwg s PRO 107 CO -0.11 -0.58 -0.06 0.21 -0.33 0.00 0.00 177.00 176.13 3kwg s LYS 108 N 1.42 1.29 -0.01 5.54 2.47 -0.82 -4.92 119.74 124.71 3kwg s LYS 108 Ca 0.69 -0.18 0.04 0.00 -1.56 0.00 0.00 55.97 54.97 3kwg s LYS 108 Cb -0.41 -1.37 -0.01 0.00 -1.46 0.00 0.00 37.83 34.58 3kwg s LYS 108 CO 0.31 -0.23 -0.14 1.14 0.16 0.00 0.00 175.35 176.59 3kwg s GLN 109 N 1.59 1.17 -0.01 4.03 -2.07 -1.26 -0.94 119.66 122.17 3kwg s GLN 109 Ca 0.02 -0.52 0.01 0.00 -1.82 0.00 0.00 55.36 53.04 3kwg s GLN 109 Cb -0.13 -1.13 0.00 0.00 -1.09 0.00 0.00 33.01 30.66 3kwg s GLN 109 CO -0.06 0.31 -0.02 0.21 -1.32 0.00 0.00 175.29 174.42 3kwg s LYS 110 N -0.34 0.19 -0.27 9.60 2.20 0.75 -5.00 119.74 126.87 3kwg s LYS 110 Ca 0.06 -0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.48 3kwg s LYS 110 Cb -0.06 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.00 3kwg s LYS 110 CO -0.01 0.01 0.34 0.08 -0.36 0.00 0.00 175.35 175.41 3kwg s VAL 111 N 0.18 5.20 -0.36 4.02 1.01 -1.26 0.10 120.40 129.29 3kwg s VAL 111 Ca -0.01 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3kwg s VAL 111 Cb -0.04 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.78 3kwg s VAL 111 CO -0.00 0.17 0.09 -0.70 0.00 0.00 0.00 175.10 174.65 3kwg s GLU 112 N 2.02 1.38 6.64 2.72 2.56 -0.01 -5.00 118.70 129.00 3kwg s GLU 112 Ca 0.14 -1.81 0.00 0.00 0.00 0.00 0.00 54.97 53.30 3kwg s GLU 112 Cb -0.16 -2.96 0.00 0.00 2.00 0.00 0.00 34.13 33.01 3kwg s GLU 112 CO 0.10 -0.97 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 3kwg n GLY 113 N 4.23 3.05 0.83 -1.50 0.00 -1.26 -2.56 105.19 107.98 3kwg n GLY 113 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.76 3kwg n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kwg n PRO 114 N 13.86 1.82 -4.53 1.61 -0.04 -1.26 -4.85 135.00 141.61 3kwg n PRO 114 Ca 0.00 -0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 62.53 3kwg n PRO 114 Cb 0.00 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.68 3kwg n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kwg s LEU 115 N -0.61 2.19 -0.18 1.53 1.43 -1.06 -1.22 118.68 120.76 3kwg s LEU 115 Ca 0.12 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3kwg s LEU 115 Cb 0.09 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 3kwg s LEU 115 CO 0.03 0.12 -0.04 0.00 0.23 0.00 0.00 176.35 176.70 3kwg s ILE 117 N 0.86 3.94 -0.06 0.00 1.01 0.11 -1.03 121.20 126.04 3kwg s ILE 117 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3kwg s ILE 117 Cb -0.15 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 3kwg s ILE 117 CO 0.02 0.44 -0.23 -0.13 0.00 0.00 0.00 174.94 175.04 3kwg s ARG 118 N 0.90 2.33 -0.03 2.79 0.52 0.06 -0.18 118.95 125.34 3kwg s ARG 118 Ca 0.01 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3kwg s ARG 118 Cb -0.14 -1.98 0.03 0.00 0.52 0.00 0.00 34.95 33.38 3kwg s ARG 118 CO 0.02 0.33 -0.00 0.42 0.02 0.00 0.00 175.30 176.08 3kwg s ILE 119 N -0.08 0.23 -0.46 1.52 1.01 -0.12 -1.05 121.20 122.26 3kwg s ILE 119 Ca -0.04 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 3kwg s ILE 119 Cb -0.13 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.05 3kwg s ILE 119 CO 0.03 0.16 1.05 -0.62 0.00 0.00 0.00 174.94 175.57 3kwg s ASP 120 N 1.05 6.61 0.07 3.58 -1.08 -0.59 -1.94 116.67 124.37 3kwg s ASP 120 Ca -0.09 0.40 0.24 0.00 -0.52 0.00 0.00 52.55 52.57 3kwg s ASP 120 Cb -0.14 -2.51 0.96 0.00 -1.46 0.00 0.00 42.92 39.77 3kwg s ASP 120 CO -0.02 -1.14 1.75 0.00 0.52 0.00 0.00 175.17 176.28 3kwg n GLN 121 N 7.51 0.07 0.26 4.34 6.02 -0.42 -2.45 117.38 132.71 3kwg n GLN 121 Ca 0.10 0.16 0.17 0.00 -0.01 0.00 0.00 57.00 57.42 3kwg n GLN 121 Cb 0.49 -1.60 0.70 0.00 1.02 0.00 0.00 30.24 30.85 3kwg n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kwg h ALA 122 N 2.69 1.00 -2.28 -1.58 0.00 -1.91 -3.44 119.26 113.73 3kwg h ALA 122 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3kwg h ALA 122 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3kwg h ALA 122 CO 0.00 0.00 0.52 0.42 0.00 0.00 0.00 179.25 180.19 3kwg s ILE 123 N -3.66 4.82 0.02 0.00 -1.09 -1.03 -5.02 121.20 115.24 3kwg s ILE 123 Ca 0.01 1.74 -0.00 0.00 -2.23 0.00 0.00 60.65 60.17 3kwg s ILE 123 Cb 0.09 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 3kwg s ILE 123 CO 0.51 -0.05 -0.03 -0.04 -1.23 0.00 0.00 174.94 174.10 3kwg s MET 124 N 2.53 0.35 -1.43 2.79 -1.94 -1.26 -4.83 119.30 115.52 3kwg s MET 124 Ca 0.40 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 3kwg s MET 124 Cb -0.16 0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.79 3kwg s MET 124 CO 0.10 -0.05 0.00 -0.25 -0.01 0.00 0.00 175.02 174.81 3kwg n ASP 125 N 1.44 -5.07 -4.96 3.03 8.00 -1.10 -4.91 116.55 112.98 3kwg n ASP 125 Ca -0.23 0.33 -0.24 0.00 0.71 0.00 0.00 54.79 55.37 3kwg n ASP 125 Cb 0.56 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 3kwg n ASP 125 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kwg s LYS 126 N -3.06 3.44 -0.22 -1.24 1.02 -1.26 -4.88 119.74 113.54 3kwg s LYS 126 Ca 0.00 -0.66 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 3kwg s LYS 126 Cb 0.00 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3kwg s LYS 126 CO 0.00 0.47 0.56 1.21 -0.92 0.00 0.00 175.35 176.68 3kwg s ASN 127 N -3.58 6.57 0.00 2.83 2.47 -1.26 -0.19 114.94 121.79 3kwg s ASN 127 Ca 0.34 0.69 0.07 0.00 0.42 0.00 0.00 52.86 54.39 3kwg s ASN 127 Cb -0.10 -2.31 -0.02 0.00 -1.45 0.00 0.00 41.25 37.37 3kwg s ASN 127 CO 0.29 -0.26 -0.22 -0.63 -3.72 0.00 0.00 177.10 172.56 3kwg s ILE 128 N 1.98 1.79 -0.15 -5.21 1.01 0.14 -3.24 121.20 117.52 3kwg s ILE 128 Ca 0.25 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 3kwg s ILE 128 Cb -0.16 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3kwg s ILE 128 CO 0.09 0.42 -0.13 -0.32 0.00 0.00 0.00 174.94 175.00 3kwg s MET 129 N -0.76 3.32 -0.07 2.79 -2.45 0.63 -0.12 119.30 122.63 3kwg s MET 129 Ca 0.09 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.60 3kwg s MET 129 Cb -0.09 -2.68 -0.04 0.00 1.25 0.00 0.00 34.83 33.28 3kwg s MET 129 CO 0.00 0.09 0.68 -0.51 1.05 0.00 0.00 175.02 176.33 3kwg s LEU 130 N 0.66 4.31 0.04 4.11 1.43 0.56 -0.47 118.68 129.33 3kwg s LEU 130 Ca -0.07 1.15 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3kwg s LEU 130 Cb -0.15 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 3kwg s LEU 130 CO 0.02 -0.11 -0.12 -0.54 0.23 0.00 0.00 176.35 175.84 3kwg s LYS 131 N 0.79 0.76 0.02 1.70 1.02 0.01 -0.83 119.74 123.21 3kwg s LYS 131 Ca 0.36 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.53 3kwg s LYS 131 Cb -0.17 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 3kwg s LYS 131 CO 0.17 0.17 0.18 0.00 -0.92 0.00 0.00 175.35 174.95 3kwg s ALA 132 N -0.98 -0.38 -0.16 5.17 0.00 -1.26 -0.27 121.76 123.89 3kwg s ALA 132 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 3kwg s ALA 132 Cb -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kwg s ALA 132 CO 0.01 -0.29 -0.10 -0.80 0.00 0.00 0.00 175.76 174.57 3kwg s ASN 133 N -1.76 4.11 0.09 0.00 -0.87 -0.13 -1.98 114.94 114.40 3kwg s ASN 133 Ca -0.09 -0.34 -0.26 0.00 -1.57 0.00 0.00 52.86 50.60 3kwg s ASN 133 Cb -0.04 -1.65 0.08 0.00 -0.02 0.00 0.00 41.25 39.62 3kwg s ASN 133 CO -0.01 0.11 0.77 0.72 -2.57 0.00 0.00 177.10 176.13 3kwg s PHE 134 N 0.66 -0.39 0.14 2.20 -0.12 -0.47 -0.58 117.98 119.43 3kwg s PHE 134 Ca -0.06 0.19 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 3kwg s PHE 134 Cb -0.15 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3kwg s PHE 134 CO 0.02 -0.73 0.26 -1.54 -0.05 0.00 0.00 175.22 173.18 3kwg s SER 135 N -2.65 6.24 -0.04 1.98 1.04 -0.19 0.00 113.70 120.09 3kwg s SER 135 Ca 0.04 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.67 3kwg s SER 135 Cb -0.01 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 3kwg s SER 135 CO -0.09 0.07 -0.19 -0.69 0.98 0.00 0.00 173.24 173.32 3kwg s VAL 136 N -1.71 1.56 -0.05 5.02 1.01 -0.02 -1.28 120.40 124.93 3kwg s VAL 136 Ca 0.34 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3kwg s VAL 136 Cb -0.11 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.97 3kwg s VAL 136 CO 0.28 0.44 0.30 -0.51 0.00 0.00 0.00 175.10 175.61 3kwg s ILE 137 N -0.16 0.04 -1.45 2.22 2.07 -0.82 0.05 121.20 123.15 3kwg s ILE 137 Ca 0.00 -0.31 -0.09 0.00 -1.41 0.00 0.00 60.65 58.84 3kwg s ILE 137 Cb -0.10 -0.54 0.05 0.00 0.13 0.00 0.00 42.46 42.00 3kwg s ILE 137 CO 0.01 -0.17 0.76 0.49 -1.91 0.00 0.00 174.94 174.12 3kwg n PHE 138 N 1.91 -2.13 -0.99 3.50 3.01 -1.26 -2.57 117.46 118.93 3kwg n PHE 138 Ca -0.18 0.68 0.00 0.00 1.01 0.00 0.00 57.45 58.96 3kwg n PHE 138 Cb 0.57 -3.99 0.00 0.00 -0.01 0.00 0.00 39.48 36.04 3kwg n PHE 138 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kwg n ASP 139 N -2.61 -2.48 -4.05 4.37 2.03 -1.26 -5.01 116.55 107.54 3kwg n ASP 139 Ca -0.03 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.17 3kwg n ASP 139 Cb 0.56 -0.60 -0.11 0.00 -0.72 0.00 0.00 41.12 40.25 3kwg n ASP 139 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3kwg s ARG 140 N -0.13 0.50 0.16 -0.67 1.81 -1.06 -4.78 118.95 114.78 3kwg s ARG 140 Ca 0.00 -0.77 -0.34 0.00 -1.72 0.00 0.00 55.73 52.90 3kwg s ARG 140 Cb 0.00 -0.19 -0.14 0.00 -0.45 0.00 0.00 34.95 34.17 3kwg s ARG 140 CO 0.00 0.02 1.50 -0.11 -0.68 0.00 0.00 175.30 176.03 3kwg n LEU 141 N 1.37 2.79 0.00 2.53 0.00 0.02 -1.95 117.00 121.76 3kwg n LEU 141 Ca -0.22 1.10 0.00 0.00 0.00 0.00 0.00 56.01 56.89 3kwg n LEU 141 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.59 3kwg n LEU 141 CO 0.21 -0.48 -0.44 1.21 0.00 0.00 0.00 177.39 177.89 3kwg n GLU 142 N 2.99 0.13 -4.08 1.96 0.00 -0.40 -4.64 120.64 116.60 3kwg n GLU 142 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.08 3kwg n GLU 142 Cb 0.27 -0.94 -0.17 0.00 0.00 0.00 0.00 31.44 30.61 3kwg n GLU 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3kwg s THR 143 N -1.88 0.87 -0.04 6.31 2.01 -1.19 -4.69 115.64 117.04 3kwg s THR 143 Ca 0.00 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 3kwg s THR 143 Cb 0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3kwg s THR 143 CO 0.00 0.33 0.63 -0.22 -0.69 0.00 0.00 174.62 174.67 3kwg s LEU 144 N 1.39 4.36 -0.17 4.42 2.96 -1.26 -1.02 118.68 129.35 3kwg s LEU 144 Ca -0.02 1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.89 3kwg s LEU 144 Cb -0.13 -2.97 -0.10 0.00 0.50 0.00 0.00 46.19 43.48 3kwg s LEU 144 CO -0.04 -0.00 -0.03 -0.38 -1.32 0.00 0.00 176.35 174.58 3kwg n ILE 145 N 3.27 1.47 -3.63 6.68 2.08 0.26 -4.78 119.36 124.71 3kwg n ILE 145 Ca -0.04 0.10 -0.12 0.00 0.56 0.00 0.00 62.75 63.25 3kwg n ILE 145 Cb 0.51 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 37.10 3kwg n ILE 145 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3kwg s LEU 146 N -8.05 -0.60 -0.05 1.39 2.96 -1.05 -4.41 118.68 108.87 3kwg s LEU 146 Ca -0.22 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.91 3kwg s LEU 146 Cb 0.04 2.18 -0.01 0.00 0.50 0.00 0.00 46.19 48.90 3kwg s LEU 146 CO 0.38 -0.21 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.75 3kwg s LEU 147 N 0.28 2.03 0.05 -0.68 0.20 -0.41 -0.96 118.68 119.20 3kwg s LEU 147 Ca 0.01 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.41 3kwg s LEU 147 Cb -0.05 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.42 3kwg s LEU 147 CO -0.02 0.23 -0.12 -0.13 -0.29 0.00 0.00 176.35 176.02 3kwg s ARG 148 N -0.18 0.72 -0.23 1.98 0.52 0.63 -0.81 118.95 121.58 3kwg s ARG 148 Ca -0.02 -0.83 -0.10 0.00 -0.52 0.00 0.00 55.73 54.26 3kwg s ARG 148 Cb -0.13 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.65 3kwg s ARG 148 CO 0.03 0.14 0.15 0.00 0.02 0.00 0.00 175.30 175.64 3kwg s ALA 149 N -1.21 3.60 -0.09 2.13 0.00 -0.29 -0.81 121.76 125.09 3kwg s ALA 149 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3kwg s ALA 149 Cb -0.09 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 3kwg s ALA 149 CO 0.01 -0.14 -0.18 -0.06 0.00 0.00 0.00 175.76 175.40 3kwg s PHE 150 N 0.95 2.67 0.85 0.00 0.40 0.38 -1.52 117.98 121.71 3kwg s PHE 150 Ca 0.07 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 3kwg s PHE 150 Cb -0.13 -1.73 0.11 0.00 0.51 0.00 0.00 43.02 41.77 3kwg s PHE 150 CO 0.03 -0.18 1.16 0.95 0.70 0.00 0.00 175.22 177.88 3kwg s THR 151 N 0.05 2.04 0.43 0.64 -4.23 -0.35 -0.27 115.64 113.96 3kwg s THR 151 Ca -0.07 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.60 3kwg s THR 151 Cb -0.15 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.14 3kwg s THR 151 CO 0.05 -0.02 1.94 -0.33 -0.54 0.00 0.00 174.62 175.72 3kwg h GLU 152 N -1.25 0.42 0.00 3.99 5.08 -1.90 0.19 114.58 121.11 3kwg h GLU 152 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3kwg h GLU 152 Cb 1.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3kwg h GLU 152 CO 0.64 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 179.32 3kwg n GLU 153 N -4.48 0.34 -0.69 2.33 4.71 -1.26 -4.90 120.64 116.70 3kwg n GLU 153 Ca 0.13 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 3kwg n GLU 153 Cb 0.46 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 3kwg n GLU 153 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kwg n GLY 154 N 0.67 0.59 3.81 0.62 0.00 0.67 -5.06 105.19 106.49 3kwg n GLY 154 Ca 0.11 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 3kwg n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwg s ALA 155 N -2.00 3.50 -0.14 4.61 0.00 -1.26 -4.81 121.76 121.66 3kwg s ALA 155 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.87 3kwg s ALA 155 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 3kwg s ALA 155 CO 0.00 0.35 0.76 0.42 0.00 0.00 0.00 175.76 177.30 3kwg s ILE 156 N -1.28 4.95 0.00 0.00 1.01 -1.26 -1.21 121.20 123.41 3kwg s ILE 156 Ca 0.36 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.52 3kwg s ILE 156 Cb -0.19 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3kwg s ILE 156 CO 0.22 0.11 0.28 1.33 0.00 0.00 0.00 174.94 176.87 3kwg n VAL 157 N 4.45 0.03 -3.43 2.92 0.24 -0.58 -4.80 118.33 117.16 3kwg n VAL 157 Ca 0.02 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 3kwg n VAL 157 Cb 0.50 1.46 -0.02 0.00 -1.47 0.00 0.00 33.84 34.30 3kwg n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kwg s GLY 158 N -0.03 -0.59 -0.28 7.63 0.00 -1.24 -1.54 107.32 111.26 3kwg s GLY 158 Ca 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 44.72 45.07 3kwg s GLY 158 CO 0.00 0.19 0.83 1.85 0.00 0.00 0.00 173.10 175.97 3kwg s GLU 159 N -3.64 0.69 -0.16 2.90 2.12 -0.22 -1.13 118.70 119.26 3kwg s GLU 159 Ca 0.02 0.89 0.01 0.00 0.36 0.00 0.00 54.97 56.24 3kwg s GLU 159 Cb -0.01 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.69 3kwg s GLU 159 CO -0.12 -0.09 -0.18 0.42 -0.54 0.00 0.00 175.26 174.74 3kwg s ILE 160 N 0.56 2.32 0.02 -3.70 1.01 0.01 -0.76 121.20 120.67 3kwg s ILE 160 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3kwg s ILE 160 Cb -0.05 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3kwg s ILE 160 CO -0.05 0.53 -0.11 -0.94 0.00 0.00 0.00 174.94 174.37 3kwg s SER 161 N 0.98 1.26 0.32 3.58 1.04 -0.20 -1.28 113.70 119.41 3kwg s SER 161 Ca -0.03 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 3kwg s SER 161 Cb -0.15 -0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 3kwg s SER 161 CO -0.04 0.02 1.36 -2.84 0.98 0.00 0.00 173.24 172.71 3kwg s PRO 162 N -0.87 4.30 -0.01 4.02 0.02 -1.26 -0.31 135.00 140.89 3kwg s PRO 162 Ca 0.00 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.01 3kwg s PRO 162 Cb -0.06 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3kwg s PRO 162 CO 0.01 -0.28 1.41 -0.51 -0.33 0.00 0.00 177.00 177.29 3kwg s LEU 163 N -1.60 4.31 0.43 -5.54 1.43 -0.36 -4.81 118.68 112.53 3kwg s LEU 163 Ca 0.51 2.09 0.09 0.00 -1.03 0.00 0.00 54.13 55.80 3kwg s LEU 163 Cb -0.41 -3.56 0.94 0.00 0.03 0.00 0.00 46.19 43.19 3kwg s LEU 163 CO 0.53 -0.73 2.06 -0.65 0.23 0.00 0.00 176.35 177.79 3kwg h PRO 164 N 7.95 0.44 -0.00 1.29 0.11 -1.93 -0.87 132.00 139.00 3kwg h PRO 164 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kwg h PRO 164 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kwg h PRO 164 CO 0.91 0.29 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.77 3kwg n SER 165 N -4.48 0.41 -3.33 -2.05 3.41 -1.26 -4.02 113.62 102.29 3kwg n SER 165 Ca 0.03 -0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 57.87 3kwg n SER 165 Cb 0.11 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3kwg n SER 165 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kwg n PHE 166 N -1.00 0.93 -0.33 7.33 3.01 -0.33 -4.99 117.46 122.07 3kwg n PHE 166 Ca 0.14 -3.74 0.05 0.00 1.01 0.00 0.00 57.45 54.91 3kwg n PHE 166 Cb 0.27 -0.35 0.20 0.00 -0.01 0.00 0.00 39.48 39.59 3kwg n PHE 166 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3kwg h PRO 167 N 4.35 0.90 -6.60 -1.08 0.11 -1.69 -3.39 132.00 124.61 3kwg h PRO 167 Ca 0.14 -0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.67 3kwg h PRO 167 Cb 0.81 -0.20 0.03 0.00 0.11 0.00 0.00 31.00 31.75 3kwg h PRO 167 CO 0.57 0.60 0.71 0.20 -0.21 0.00 0.00 178.00 179.86 3kwg s GLY 168 N -3.38 2.13 0.06 -0.55 0.00 -1.26 -4.94 107.32 99.38 3kwg s GLY 168 Ca -0.12 1.13 -0.21 0.00 0.00 0.00 0.00 44.72 45.52 3kwg s GLY 168 CO 0.80 2.27 0.49 -2.38 0.00 0.00 0.00 173.10 174.27 3kwg s HIS 169 N 0.76 -0.37 0.42 1.90 -3.43 -1.26 -4.78 115.29 108.52 3kwg s HIS 169 Ca 0.62 0.35 0.08 0.00 -0.80 0.00 0.00 55.06 55.30 3kwg s HIS 169 Cb -0.37 0.32 -0.02 0.00 -1.43 0.00 0.00 32.58 31.08 3kwg s HIS 169 CO 0.33 -0.65 0.38 0.95 -2.00 0.00 0.00 174.74 173.75 3kwg s THR 170 N -2.68 2.62 0.35 -5.38 -4.23 -1.26 -4.91 115.64 100.15 3kwg s THR 170 Ca -0.04 -1.35 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 3kwg s THR 170 Cb -0.00 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.98 3kwg s THR 170 CO -0.04 0.00 1.84 -0.29 -0.54 0.00 0.00 174.62 175.60 3kwg h ILE 171 N 1.02 1.22 -0.62 2.99 2.10 -1.83 -1.81 117.51 120.58 3kwg h ILE 171 Ca -0.41 -1.02 -0.02 0.00 1.08 0.00 0.00 64.86 64.49 3kwg h ILE 171 Cb 1.27 1.34 -0.03 0.00 -1.09 0.00 0.00 36.82 38.31 3kwg h ILE 171 CO 0.57 0.31 0.30 -0.33 -1.08 0.00 0.00 178.15 177.93 3kwg h GLU 172 N 0.24 0.89 -0.50 2.19 3.07 -1.95 0.25 114.58 118.78 3kwg h GLU 172 Ca 0.04 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3kwg h GLU 172 Cb 0.51 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 3kwg h GLU 172 CO 0.03 0.71 0.21 -0.44 -1.40 0.00 0.00 179.01 178.13 3kwg h ASP 173 N 0.85 0.27 -0.18 1.42 3.32 -1.82 -1.24 116.42 119.05 3kwg h ASP 173 Ca 0.21 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3kwg h ASP 173 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3kwg h ASP 173 CO -0.03 0.19 0.04 0.58 -1.72 0.00 0.00 179.24 178.30 3kwg h VAL 174 N 0.42 1.20 -0.84 -1.35 2.07 -0.71 -1.20 116.25 115.83 3kwg h VAL 174 Ca 0.23 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3kwg h VAL 174 Cb 0.19 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3kwg h VAL 174 CO -0.20 0.19 0.47 0.11 0.02 0.00 0.00 177.57 178.17 3kwg h LYS 175 N 0.10 1.16 -0.49 1.57 1.57 -0.45 -1.02 116.57 119.00 3kwg h LYS 175 Ca 0.06 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3kwg h LYS 175 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kwg h LYS 175 CO 0.00 0.84 0.08 -0.91 -0.57 0.00 0.00 179.45 178.89 3kwg h ASN 176 N 1.17 0.78 -0.13 0.86 2.35 -1.07 -1.75 115.58 117.79 3kwg h ASN 176 Ca 0.30 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3kwg h ASN 176 Cb 0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3kwg h ASN 176 CO -0.05 0.85 -0.13 0.00 -1.65 0.00 0.00 177.43 176.44 3kwg h ALA 177 N 0.97 1.24 -0.24 -0.83 0.00 -0.91 -2.32 119.26 117.17 3kwg h ALA 177 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kwg h ALA 177 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kwg h ALA 177 CO 0.01 0.50 -0.01 0.82 0.00 0.00 0.00 179.25 180.56 3kwg h ILE 178 N 0.45 1.26 -0.73 0.00 2.04 -1.00 -1.54 117.51 118.00 3kwg h ILE 178 Ca 0.08 -0.94 0.13 0.00 1.00 0.00 0.00 64.86 65.13 3kwg h ILE 178 Cb 0.50 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 3kwg h ILE 178 CO 0.03 0.29 0.30 1.23 0.00 0.00 0.00 178.15 180.01 3kwg h GLY 179 N 0.20 1.09 0.88 5.37 0.00 -1.13 0.17 103.07 109.65 3kwg h GLY 179 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3kwg h GLY 179 CO 0.02 -0.05 0.07 -2.08 0.00 0.00 0.00 176.54 174.49 3kwg h VAL 180 N 0.48 1.20 -0.16 4.60 2.07 -1.33 -0.90 116.25 122.21 3kwg h VAL 180 Ca 0.39 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3kwg h VAL 180 Cb 0.54 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3kwg h VAL 180 CO -0.36 0.21 0.10 0.25 0.02 0.00 0.00 177.57 177.78 3kwg h LEU 181 N 0.21 0.19 -0.07 2.57 5.85 -0.80 -0.04 115.31 123.23 3kwg h LEU 181 Ca 0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kwg h LEU 181 Cb 0.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3kwg h LEU 181 CO -0.00 0.19 0.04 0.40 -0.34 0.00 0.00 178.44 178.73 3kwg h ILE 182 N 0.18 1.05 -0.28 4.05 2.04 -0.65 -1.27 117.51 122.64 3kwg h ILE 182 Ca 0.06 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3kwg h ILE 182 Cb 0.03 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3kwg h ILE 182 CO -0.01 0.04 -0.06 1.23 0.00 0.00 0.00 178.15 179.36 3kwg h GLY 183 N 0.06 0.22 0.50 5.37 0.00 -1.11 0.16 103.07 108.25 3kwg h GLY 183 Ca 0.03 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.51 3kwg h GLY 183 CO -0.00 -0.10 0.19 -1.33 0.00 0.00 0.00 176.54 175.30 3kwg h GLY 184 N 0.02 0.70 0.96 4.60 0.00 -0.84 -0.75 103.07 107.76 3kwg h GLY 184 Ca 0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 3kwg h GLY 184 CO -0.28 0.01 -0.17 1.41 0.00 0.00 0.00 176.54 177.50 3kwg h LEU 185 N 0.37 0.74 -1.36 3.11 3.38 -0.85 -3.17 115.31 117.53 3kwg h LEU 185 Ca 0.25 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kwg h LEU 185 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kwg h LEU 185 CO -0.26 0.99 -0.20 -0.33 0.09 0.00 0.00 178.44 178.73 3kwg h GLU 186 N 0.50 0.17 -0.01 1.13 5.08 -0.50 -2.10 114.58 118.84 3kwg h GLU 186 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kwg h GLU 186 Cb 0.72 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kwg h GLU 186 CO 0.05 0.37 0.01 0.00 -1.00 0.00 0.00 179.01 178.44 3kwg h ALA 187 N 1.64 1.78 -0.42 3.43 0.00 -1.11 -0.81 119.26 123.77 3kwg h ALA 187 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kwg h ALA 187 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kwg h ALA 187 CO 0.03 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3kwg n ASN 188 N -4.20 4.43 -1.30 0.00 3.02 -0.82 -4.92 115.26 111.47 3kwg n ASN 188 Ca -0.03 -2.67 -0.14 0.00 -0.03 0.00 0.00 54.58 51.71 3kwg n ASN 188 Cb 0.10 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.59 3kwg n ASN 188 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kwg n ASP 189 N 0.46 -4.60 -4.82 6.41 8.00 -0.31 -2.71 116.55 118.98 3kwg n ASP 189 Ca 0.20 0.22 -0.36 0.00 0.71 0.00 0.00 54.79 55.56 3kwg n ASP 189 Cb 0.94 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.47 3kwg n ASP 189 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kwg s ASN 190 N -2.67 6.99 -0.17 -2.24 0.01 -1.04 -3.40 114.94 112.43 3kwg s ASN 190 Ca 0.00 1.33 -0.15 0.00 -0.71 0.00 0.00 52.86 53.33 3kwg s ASN 190 Cb 0.00 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3kwg s ASN 190 CO 0.00 0.05 0.33 -0.89 -1.51 0.00 0.00 177.10 175.08 3kwg s THR 191 N -1.51 5.27 -0.09 1.60 2.01 0.74 -4.01 115.64 119.64 3kwg s THR 191 Ca 0.42 0.62 0.04 0.00 0.31 0.00 0.00 61.69 63.07 3kwg s THR 191 Cb -0.16 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3kwg s THR 191 CO 0.20 0.35 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.57 3kwg s VAL 192 N 0.71 2.25 0.27 3.82 1.01 -1.26 0.27 120.40 127.47 3kwg s VAL 192 Ca 0.18 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3kwg s VAL 192 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3kwg s VAL 192 CO 0.06 0.56 -0.13 -0.13 0.00 0.00 0.00 175.10 175.45 3kwg s ARG 193 N 0.21 1.90 0.06 2.72 0.52 0.82 -4.95 118.95 120.23 3kwg s ARG 193 Ca -0.14 -1.61 0.08 0.00 -0.52 0.00 0.00 55.73 53.54 3kwg s ARG 193 Cb -0.17 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 3kwg s ARG 193 CO 0.07 0.35 -0.19 0.14 0.02 0.00 0.00 175.30 175.70 3kwg s VAL 194 N -2.36 2.77 0.81 3.52 -7.23 -1.26 -0.33 120.40 116.31 3kwg s VAL 194 Ca 0.30 -1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 3kwg s VAL 194 Cb -0.06 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3kwg s VAL 194 CO 0.16 0.27 0.69 -1.54 -0.31 0.00 0.00 175.10 174.37 3kwg n SER 195 N 1.35 -0.78 0.10 4.85 3.41 -0.01 -4.71 113.62 117.82 3kwg n SER 195 Ca -0.16 0.52 0.06 0.00 -0.26 0.00 0.00 58.87 59.04 3kwg n SER 195 Cb 0.52 -1.30 0.52 0.00 -0.26 0.00 0.00 64.21 63.69 3kwg n SER 195 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kwg h LYS 196 N -0.82 0.31 -0.15 4.33 2.10 -1.99 -1.26 116.57 119.09 3kwg h LYS 196 Ca -0.45 -0.02 -0.22 0.00 -2.00 0.00 0.00 60.65 57.96 3kwg h LYS 196 Cb 1.32 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3kwg h LYS 196 CO 0.41 0.21 -0.76 1.79 -2.00 0.00 0.00 179.45 179.10 3kwg h THR 197 N 0.32 1.29 -0.62 0.07 1.35 -1.98 -0.57 112.91 112.78 3kwg h THR 197 Ca 0.10 -1.98 -0.04 0.00 -0.55 0.00 0.00 66.41 63.94 3kwg h THR 197 Cb 0.01 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 3kwg h THR 197 CO -0.02 0.63 0.22 -0.07 -0.25 0.00 0.00 175.52 176.02 3kwg h LEU 198 N 0.52 0.88 0.25 3.87 3.38 -1.82 0.14 115.31 122.52 3kwg h LEU 198 Ca -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3kwg h LEU 198 Cb 1.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3kwg h LEU 198 CO 0.16 0.83 -0.17 1.56 0.09 0.00 0.00 178.44 180.91 3kwg h GLN 199 N 0.87 -0.40 -0.82 1.13 1.08 -1.23 0.37 115.11 116.11 3kwg h GLN 199 Ca 0.20 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 3kwg h GLN 199 Cb 0.25 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 3kwg h GLN 199 CO -0.01 -0.26 0.46 -0.09 -0.95 0.00 0.00 178.83 177.97 3kwg h ARG 200 N -0.41 1.14 -0.00 1.46 2.43 -0.97 -1.44 114.38 116.58 3kwg h ARG 200 Ca -0.02 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3kwg h ARG 200 Cb 0.35 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3kwg h ARG 200 CO 0.01 0.84 -0.42 1.19 -1.51 0.00 0.00 179.97 180.08 3kwg n PHE 201 N -4.41 0.00 0.00 2.20 3.72 0.47 -4.87 117.46 114.57 3kwg n PHE 201 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3kwg n PHE 201 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3kwg n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kwg n ALA 202 N -0.80 2.31 -0.06 4.37 0.00 -0.38 -0.80 120.51 125.14 3kwg n ALA 202 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 3kwg n ALA 202 Cb 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 3kwg n ALA 202 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3kwg h TRP 203 N 0.00 0.16 -3.72 0.00 2.91 -0.43 -3.48 115.95 111.39 3kwg h TRP 203 Ca 0.00 -0.12 -0.55 0.00 1.13 0.00 0.00 58.89 59.35 3kwg h TRP 203 Cb 0.00 -0.01 0.12 0.00 -0.51 0.00 0.00 29.16 28.76 3kwg h TRP 203 CO 0.00 1.52 0.62 0.41 -1.03 0.00 0.00 178.44 179.96 3kwg n GLY 204 N 1.59 0.83 0.00 2.65 0.00 -0.54 -5.00 105.19 104.73 3kwg n GLY 204 Ca -0.30 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3kwg n GLY 204 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76