#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw3 s HIS 77 N 0.00 3.38 0.00 1.43 0.09 -1.26 -5.10 115.29 113.84 2bw3 s HIS 77 Ca 0.00 1.44 0.00 0.00 -0.00 0.00 0.00 55.06 56.50 2bw3 s HIS 77 Cb 0.00 -3.21 0.00 0.00 -0.00 0.00 0.00 32.58 29.37 2bw3 s HIS 77 CO 0.00 -0.40 0.00 0.94 -0.00 0.00 0.00 174.74 175.28 2bw3 n GLN 79 N 5.92 0.00 -0.23 1.40 -0.06 -1.26 -5.03 117.38 118.11 2bw3 n GLN 79 Ca 0.10 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.14 2bw3 n GLN 79 Cb 0.47 0.00 0.15 0.00 -4.06 0.00 0.00 30.24 26.80 2bw3 n GLN 79 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2bw3 h SER 80 N 0.00 -0.12 -4.06 1.69 4.64 -2.11 -3.48 113.55 110.11 2bw3 h SER 80 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2bw3 h SER 80 Cb 0.00 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2bw3 h SER 80 CO 0.00 -0.08 -0.08 0.54 -0.87 0.00 0.00 176.83 176.34 2bw3 n ARG 81 N -5.22 -0.78 -2.90 4.77 1.74 -1.26 -5.02 116.66 107.99 2bw3 n ARG 81 Ca 0.12 1.06 -0.40 0.00 -0.77 0.00 0.00 57.85 57.86 2bw3 n ARG 81 Cb 0.42 -3.43 -0.06 0.00 -1.02 0.00 0.00 32.46 28.38 2bw3 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2bw3 s GLU 82 N -2.54 4.64 -0.11 5.56 8.01 -1.26 -5.05 118.70 127.95 2bw3 s GLU 82 Ca 0.04 1.25 -0.06 0.00 0.01 0.00 0.00 54.97 56.21 2bw3 s GLU 82 Cb -0.01 -3.29 -0.04 0.00 -4.31 0.00 0.00 34.13 26.48 2bw3 s GLU 82 CO 0.34 0.49 0.14 -0.51 0.01 0.00 0.00 175.26 175.73 2bw3 s LEU 83 N -0.90 4.38 0.04 1.80 2.01 -1.26 -5.08 118.68 119.67 2bw3 s LEU 83 Ca 0.38 0.45 -0.30 0.00 0.01 0.00 0.00 54.13 54.68 2bw3 s LEU 83 Cb -0.23 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 2bw3 s LEU 83 CO 0.27 0.39 0.98 -0.54 1.01 0.00 0.00 176.35 178.47 2bw3 s LYS 84 N -1.12 4.60 -0.19 1.70 1.02 -1.26 -5.03 119.74 119.46 2bw3 s LYS 84 Ca 0.16 1.44 -0.18 0.00 0.02 0.00 0.00 55.97 57.41 2bw3 s LYS 84 Cb -0.12 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2bw3 s LYS 84 CO 0.06 0.03 0.51 0.99 -0.92 0.00 0.00 175.35 176.01 2bw3 s THR 85 N 0.69 5.12 0.96 2.17 2.01 -1.26 -5.06 115.64 120.27 2bw3 s THR 85 Ca 0.51 0.94 -0.12 0.00 0.31 0.00 0.00 61.69 63.32 2bw3 s THR 85 Cb -0.22 -3.83 0.17 0.00 0.01 0.00 0.00 72.50 68.62 2bw3 s THR 85 CO 0.29 0.20 1.10 0.68 -0.69 0.00 0.00 174.62 176.19 2bw3 s VAL 86 N 1.52 2.20 0.84 3.82 -7.23 -1.26 -5.02 120.40 115.27 2bw3 s VAL 86 Ca 0.24 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 2bw3 s VAL 86 Cb -0.15 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.28 2bw3 s VAL 86 CO 0.10 -0.08 1.10 -0.94 -0.31 0.00 0.00 175.10 174.96 2bw3 s SER 87 N -3.56 3.83 0.25 4.85 1.04 -1.26 -4.81 113.70 114.05 2bw3 s SER 87 Ca 0.65 1.81 -0.04 0.00 0.48 0.00 0.00 55.95 58.85 2bw3 s SER 87 Cb -0.18 -2.44 0.39 0.00 0.10 0.00 0.00 66.02 63.89 2bw3 s SER 87 CO 0.57 -2.46 1.85 0.00 0.98 0.00 0.00 173.24 174.17 2bw3 h ALA 88 N -1.43 1.28 -0.11 5.32 0.00 -1.99 -0.90 119.26 121.43 2bw3 h ALA 88 Ca -0.45 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2bw3 h ALA 88 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2bw3 h ALA 88 CO 0.50 0.29 -0.42 -0.44 0.00 0.00 0.00 179.25 179.19 2bw3 h ASP 89 N 1.01 0.26 -0.16 0.00 5.19 -1.99 -1.39 116.42 119.34 2bw3 h ASP 89 Ca 0.41 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.64 2bw3 h ASP 89 Cb 0.24 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2bw3 h ASP 89 CO -0.20 0.66 -0.16 0.00 -3.12 0.00 0.00 179.24 176.42 2bw3 h LYS 91 N 0.04 0.91 -0.44 0.00 1.63 -1.06 0.18 116.57 117.84 2bw3 h LYS 91 Ca 0.03 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 2bw3 h LYS 91 Cb 0.70 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2bw3 h LYS 91 CO 0.04 0.60 0.01 -0.22 -3.45 0.00 0.00 179.45 176.44 2bw3 h LYS 92 N 0.94 0.77 -0.22 1.90 3.64 -1.16 -2.40 116.57 120.04 2bw3 h LYS 92 Ca 0.38 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2bw3 h LYS 92 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2bw3 h LYS 92 CO -0.19 0.83 -0.22 1.49 -2.27 0.00 0.00 179.45 179.09 2bw3 h GLU 93 N 0.62 0.40 -0.04 1.90 4.81 -0.41 -2.50 114.58 119.35 2bw3 h GLU 93 Ca 0.13 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bw3 h GLU 93 Cb 0.47 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2bw3 h GLU 93 CO 0.02 0.60 0.02 0.00 -0.73 0.00 0.00 179.01 178.92 2bw3 h ALA 94 N 1.41 0.05 -0.77 2.92 0.00 -0.29 0.29 119.26 122.88 2bw3 h ALA 94 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bw3 h ALA 94 Cb 0.59 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2bw3 h ALA 94 CO 0.04 -0.47 0.43 0.97 0.00 0.00 0.00 179.25 180.22 2bw3 h ILE 95 N 0.04 1.23 -0.68 0.00 2.10 -1.34 -0.50 117.51 118.36 2bw3 h ILE 95 Ca 0.02 -0.55 -0.07 0.00 1.08 0.00 0.00 64.86 65.33 2bw3 h ILE 95 Cb 0.01 0.18 -0.03 0.00 -1.09 0.00 0.00 36.82 35.89 2bw3 h ILE 95 CO -0.02 0.25 0.15 -0.33 -1.08 0.00 0.00 178.15 177.12 2bw3 h GLU 96 N 1.07 1.10 -0.39 2.19 5.08 -0.98 -0.59 114.58 122.06 2bw3 h GLU 96 Ca 0.27 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2bw3 h GLU 96 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2bw3 h GLU 96 CO -0.05 0.99 -0.23 0.87 -1.00 0.00 0.00 179.01 179.59 2bw3 h LYS 97 N 1.03 0.79 -0.32 2.33 1.79 -0.32 -1.34 116.57 120.54 2bw3 h LYS 97 Ca 0.21 -0.33 -0.12 0.00 -2.18 0.00 0.00 60.65 58.23 2bw3 h LYS 97 Cb 0.40 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2bw3 h LYS 97 CO 0.01 0.95 -0.30 0.00 -1.08 0.00 0.00 179.45 179.03 2bw3 h ALA 99 N 1.10 0.27 0.00 0.00 0.00 -0.88 -0.92 119.26 118.83 2bw3 h ALA 99 Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2bw3 h ALA 99 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2bw3 h ALA 99 CO 0.07 -0.05 -0.30 -0.56 0.00 0.00 0.00 179.25 178.41 2bw3 h GLN 100 N 0.12 0.00 0.48 0.00 -0.00 -1.18 -1.24 115.11 113.30 2bw3 h GLN 100 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 2bw3 h GLN 100 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 2bw3 h GLN 100 CO 0.01 0.30 -0.23 2.35 -0.00 0.00 0.00 178.83 181.25 2bw3 h TRP 101 N 0.00 -0.60 0.00 0.06 7.01 -0.91 -0.48 115.95 121.02 2bw3 h TRP 101 Ca -0.00 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 2bw3 h TRP 101 Cb 0.56 0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2bw3 h TRP 101 CO 0.00 -0.28 -0.09 -0.39 -2.79 0.00 0.00 178.44 174.89 2bw3 h VAL 102 N -0.96 0.96 0.00 2.65 -1.51 -0.97 -1.74 116.25 114.68 2bw3 h VAL 102 Ca -0.07 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 2bw3 h VAL 102 Cb 0.59 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2bw3 h VAL 102 CO 0.11 0.09 -0.10 0.58 -1.23 0.00 0.00 177.57 177.02 2bw3 h VAL 103 N 0.00 1.04 0.00 7.19 2.07 -1.23 -0.55 116.25 124.77 2bw3 h VAL 103 Ca -0.00 -1.81 -0.05 0.00 0.82 0.00 0.00 66.70 65.66 2bw3 h VAL 103 Cb 0.18 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2bw3 h VAL 103 CO 0.01 0.35 -0.23 0.03 0.02 0.00 0.00 177.57 177.75 2bw3 h ARG 104 N -1.00 0.00 -0.01 1.57 3.08 -1.08 -2.93 114.38 114.01 2bw3 h ARG 104 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2bw3 h ARG 104 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2bw3 h ARG 104 CO -0.01 0.23 -0.19 -0.25 -1.07 0.00 0.00 179.97 178.68 2bw3 n ASP 105 N -3.68 1.72 -3.38 7.04 10.43 -0.66 -5.03 116.55 122.99 2bw3 n ASP 105 Ca -0.01 -1.36 -0.18 0.00 2.57 0.00 0.00 54.79 55.81 2bw3 n ASP 105 Cb 0.35 0.31 0.04 0.00 1.84 0.00 0.00 41.12 43.66 2bw3 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2bw3 s ARG 107 N -4.63 2.29 0.55 0.00 1.81 -0.33 -5.03 118.95 113.61 2bw3 s ARG 107 Ca 0.34 -1.09 -0.18 0.00 -1.72 0.00 0.00 55.73 53.08 2bw3 s ARG 107 Cb -0.08 -2.33 -0.06 0.00 -0.45 0.00 0.00 34.95 32.04 2bw3 s ARG 107 CO 0.79 0.47 1.05 -1.25 -0.68 0.00 0.00 175.30 175.68 2bw3 s PRO 108 N -2.69 3.54 0.39 3.54 0.04 -1.26 -4.77 135.00 133.79 2bw3 s PRO 108 Ca 0.25 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.62 2bw3 s PRO 108 Cb -0.10 -2.06 0.78 0.00 0.04 0.00 0.00 34.50 33.16 2bw3 s PRO 108 CO 0.17 -0.64 2.02 0.74 0.04 0.00 0.00 177.00 179.33 2bw3 h PHE 109 N 0.93 0.64 0.00 0.56 -1.00 -1.99 -0.82 116.94 115.25 2bw3 h PHE 109 Ca -0.48 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2bw3 h PHE 109 Cb 1.22 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2bw3 h PHE 109 CO 0.58 0.38 0.00 0.66 -1.61 0.00 0.00 178.31 178.32 2bw3 h SER 110 N 0.67 0.00 -0.20 2.17 4.64 -2.02 -2.74 113.55 116.07 2bw3 h SER 110 Ca 0.21 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.59 2bw3 h SER 110 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2bw3 h SER 110 CO -0.05 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.07 2bw3 h ALA 111 N 2.00 2.08 0.00 5.18 0.00 -1.51 -1.58 119.26 125.43 2bw3 h ALA 111 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bw3 h ALA 111 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bw3 h ALA 111 CO 0.00 -0.26 0.00 1.55 0.00 0.00 0.00 179.25 180.54 2bw3 n VAL 112 N -4.29 0.59 0.90 0.00 3.14 -1.03 -3.17 118.33 114.47 2bw3 n VAL 112 Ca 0.02 -0.02 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 2bw3 n VAL 112 Cb 0.30 -0.78 -0.09 0.00 -1.06 0.00 0.00 33.84 32.20 2bw3 n VAL 112 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2bw3 n SER 113 N -2.01 0.87 -4.70 6.55 2.88 -0.60 -4.80 113.62 111.80 2bw3 n SER 113 Ca 0.05 -0.83 -0.41 0.00 -1.33 0.00 0.00 58.87 56.34 2bw3 n SER 113 Cb 0.33 1.03 0.01 0.00 -0.75 0.00 0.00 64.21 64.82 2bw3 n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bw3 n GLY 114 N 1.47 0.56 0.17 0.46 0.00 -1.19 -4.86 105.19 101.80 2bw3 n GLY 114 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2bw3 n GLY 114 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bw3 h SER 115 N 2.25 0.03 -0.44 1.61 4.64 -1.94 -0.77 113.55 118.92 2bw3 h SER 115 Ca -0.47 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 2bw3 h SER 115 Cb 1.29 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2bw3 h SER 115 CO 0.61 0.51 -0.16 1.23 -0.87 0.00 0.00 176.83 178.15 2bw3 h GLY 116 N 1.44 0.97 0.98 -0.77 0.00 -1.98 -2.03 103.07 101.68 2bw3 h GLY 116 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2bw3 h GLY 116 CO 0.06 0.76 0.07 -2.75 0.00 0.00 0.00 176.54 174.69 2bw3 h PHE 117 N 0.73 0.14 -0.72 5.60 3.57 -1.80 -2.93 116.94 121.54 2bw3 h PHE 117 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2bw3 h PHE 117 Cb 0.72 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 2bw3 h PHE 117 CO 0.05 0.09 0.47 0.82 -2.23 0.00 0.00 178.31 177.51 2bw3 h ILE 118 N 0.15 1.17 0.00 1.41 2.04 -1.04 -0.50 117.51 120.74 2bw3 h ILE 118 Ca 0.05 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2bw3 h ILE 118 Cb -0.01 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2bw3 h ILE 118 CO -0.02 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.78 2bw3 n ASP 119 N -4.60 1.20 0.00 1.72 8.00 -0.77 -1.58 116.55 120.51 2bw3 n ASP 119 Ca 0.07 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2bw3 n ASP 119 Cb 0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2bw3 n ASP 119 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bw3 n ILE 121 N 0.85 0.00 -0.34 0.53 2.08 -0.20 -2.07 119.36 120.22 2bw3 n ILE 121 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2bw3 n ILE 121 Cb 0.19 0.00 0.14 0.00 -0.75 0.00 0.00 39.64 39.22 2bw3 n ILE 121 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2bw3 h LYS 122 N 0.00 1.08 -0.17 0.38 1.57 -1.55 -1.60 116.57 116.28 2bw3 h LYS 122 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2bw3 h LYS 122 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2bw3 h LYS 122 CO 0.00 0.72 0.07 0.35 -0.57 0.00 0.00 179.45 180.02 2bw3 h PHE 123 N 1.11 0.27 -0.13 -1.35 3.57 -1.70 -1.50 116.94 117.22 2bw3 h PHE 123 Ca 0.38 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 2bw3 h PHE 123 Cb 0.08 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2bw3 h PHE 123 CO -0.02 0.33 -0.10 0.74 -2.23 0.00 0.00 178.31 177.04 2bw3 h PHE 124 N 0.13 0.19 -0.54 0.41 -1.00 -1.75 -0.09 116.94 114.29 2bw3 h PHE 124 Ca 0.06 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.71 2bw3 h PHE 124 Cb 0.17 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2bw3 h PHE 124 CO -0.01 0.29 -0.09 0.82 -1.61 0.00 0.00 178.31 177.70 2bw3 h ILE 125 N 0.18 1.27 -0.78 -0.55 2.04 -1.15 -1.38 117.51 117.14 2bw3 h ILE 125 Ca 0.04 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 2bw3 h ILE 125 Cb 0.29 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2bw3 h ILE 125 CO 0.02 0.44 0.35 0.50 0.00 0.00 0.00 178.15 179.46 2bw3 h LYS 126 N 0.89 1.13 -0.51 2.37 3.64 -0.17 -0.84 116.57 123.09 2bw3 h LYS 126 Ca 0.14 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2bw3 h LYS 126 Cb 0.66 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2bw3 h LYS 126 CO 0.05 0.88 0.22 0.28 -2.27 0.00 0.00 179.45 178.61 2bw3 h VAL 127 N 1.11 1.20 -0.76 2.00 2.07 -0.67 -2.15 116.25 119.06 2bw3 h VAL 127 Ca 0.27 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2bw3 h VAL 127 Cb 0.14 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2bw3 h VAL 127 CO -0.03 0.23 0.39 0.50 0.02 0.00 0.00 177.57 178.68 2bw3 h LYS 128 N 0.68 1.07 -0.41 1.57 1.63 -0.48 0.14 116.57 120.76 2bw3 h LYS 128 Ca 0.17 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 2bw3 h LYS 128 Cb 0.16 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2bw3 h LYS 128 CO -0.02 0.80 0.02 0.00 -3.45 0.00 0.00 179.45 176.80 2bw3 h ALA 129 N 1.36 1.26 0.18 5.00 0.00 -0.76 0.27 119.26 126.57 2bw3 h ALA 129 Ca 0.26 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 2bw3 h ALA 129 Cb 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bw3 h ALA 129 CO -0.04 0.50 -1.65 1.49 0.00 0.00 0.00 179.25 179.55 2bw3 h GLU 130 N 0.62 0.39 -0.01 0.00 4.81 -0.81 -3.39 114.58 116.19 2bw3 h GLU 130 Ca 0.13 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2bw3 h GLU 130 Cb 0.37 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2bw3 h GLU 130 CO 0.01 1.30 -0.47 0.66 -0.73 0.00 0.00 179.01 179.78 2bw3 n TYR 131 N -3.58 0.00 -0.69 0.92 4.02 0.44 -5.11 117.16 113.15 2bw3 n TYR 131 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2bw3 n TYR 131 Cb 1.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 2bw3 n TYR 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bw3 n GLY 132 N 1.22 -2.56 0.15 2.72 0.00 0.93 -4.57 105.19 103.08 2bw3 n GLY 132 Ca 0.05 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.46 2bw3 n GLY 132 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2bw3 h GLU 133 N 0.00 0.00 -2.16 1.61 4.11 -1.95 -3.37 114.58 112.82 2bw3 h GLU 133 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 59.01 2bw3 h GLU 133 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2bw3 h GLU 133 CO 0.00 0.51 0.61 0.72 0.07 0.00 0.00 179.01 180.92 2bw3 n HIS 134 N -3.38 1.13 -3.18 2.06 8.25 -1.26 -4.92 115.22 113.91 2bw3 n HIS 134 Ca 0.01 -1.96 -0.37 0.00 -0.26 0.00 0.00 57.72 55.14 2bw3 n HIS 134 Cb 0.66 -1.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.09 2bw3 n HIS 134 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bw3 s VAL 135 N -0.40 4.65 -0.78 1.59 1.01 -1.26 -4.98 120.40 120.23 2bw3 s VAL 135 Ca 0.63 1.21 -0.26 0.00 0.00 0.00 0.00 61.98 63.56 2bw3 s VAL 135 Cb 0.32 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2bw3 s VAL 135 CO -0.10 0.33 1.56 0.21 0.00 0.00 0.00 175.10 177.09 2bw3 s ASN 136 N -1.49 5.84 0.18 3.32 3.84 -1.26 -4.84 114.94 120.52 2bw3 s ASN 136 Ca 0.38 -0.44 -0.06 0.00 0.21 0.00 0.00 52.86 52.96 2bw3 s ASN 136 Cb -0.18 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.04 2bw3 s ASN 136 CO 0.21 -2.05 1.51 0.58 -2.79 0.00 0.00 177.10 174.56 2bw3 h VAL 137 N 6.57 1.29 -0.10 -5.21 2.07 -1.96 -2.11 116.25 116.81 2bw3 h VAL 137 Ca -0.14 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 2bw3 h VAL 137 Cb 1.07 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2bw3 h VAL 137 CO 1.28 0.53 -0.08 -0.33 0.02 0.00 0.00 177.57 178.99 2bw3 h GLU 138 N 0.56 0.15 0.16 1.57 3.07 -1.93 -1.17 114.58 117.00 2bw3 h GLU 138 Ca 0.03 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.36 58.63 2bw3 h GLU 138 Cb 1.02 -0.03 0.03 0.00 -0.84 0.00 0.00 28.75 28.93 2bw3 h GLU 138 CO 0.10 0.25 -1.03 1.49 -1.40 0.00 0.00 179.01 178.41 2bw3 h GLU 139 N 0.15 0.42 -0.60 2.33 4.57 -1.95 -3.33 114.58 116.17 2bw3 h GLU 139 Ca 0.03 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 2bw3 h GLU 139 Cb 0.25 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2bw3 h GLU 139 CO 0.01 1.31 0.39 1.25 -1.18 0.00 0.00 179.01 180.79 2bw3 h LEU 140 N -0.13 0.69 -9.73 1.64 5.85 -1.11 -3.44 115.31 109.10 2bw3 h LEU 140 Ca -0.17 -0.03 -0.52 0.00 0.84 0.00 0.00 57.88 57.99 2bw3 h LEU 140 Cb 1.79 -0.17 0.05 0.00 0.37 0.00 0.00 40.66 42.70 2bw3 h LEU 140 CO 0.20 0.51 0.70 -0.76 -0.34 0.00 0.00 178.44 178.75 2bw3 s LEU 141 N -10.12 4.40 0.66 2.25 1.43 -0.47 -5.01 118.68 111.82 2bw3 s LEU 141 Ca -0.13 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 2bw3 s LEU 141 Cb 0.13 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2bw3 s LEU 141 CO 0.76 -0.61 1.05 -2.16 0.23 0.00 0.00 176.35 175.61 2bw3 s PRO 142 N -0.35 3.16 0.58 1.29 0.04 -1.26 -4.96 135.00 133.49 2bw3 s PRO 142 Ca 0.57 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.52 2bw3 s PRO 142 Cb -0.39 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2bw3 s PRO 142 CO 0.42 -0.93 0.92 -1.54 0.04 0.00 0.00 177.00 175.91 2bw3 s SER 143 N -3.61 5.81 0.34 6.66 1.04 -1.26 -4.93 113.70 117.75 2bw3 s SER 143 Ca 0.59 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.97 2bw3 s SER 143 Cb -0.14 -1.96 0.68 0.00 0.10 0.00 0.00 66.02 64.70 2bw3 s SER 143 CO 0.50 -0.96 1.93 -0.65 0.98 0.00 0.00 173.24 175.03 2bw3 h PRO 144 N -0.16 0.82 -0.21 4.02 0.11 -1.99 -2.01 132.00 132.58 2bw3 h PRO 144 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2bw3 h PRO 144 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2bw3 h PRO 144 CO 0.61 0.54 0.09 0.82 -0.21 0.00 0.00 178.00 179.86 2bw3 h ILE 145 N 0.85 1.15 -0.61 4.15 1.08 -1.99 -0.26 117.51 121.87 2bw3 h ILE 145 Ca 0.36 -0.46 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 2bw3 h ILE 145 Cb 0.32 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2bw3 h ILE 145 CO -0.14 0.15 0.15 0.74 -0.69 0.00 0.00 178.15 178.37 2bw3 h THR 146 N 0.20 1.24 -0.55 -0.27 2.02 -1.77 -1.73 112.91 112.06 2bw3 h THR 146 Ca 0.07 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 2bw3 h THR 146 Cb 0.16 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2bw3 h THR 146 CO -0.01 0.33 0.09 -0.07 0.37 0.00 0.00 175.52 176.23 2bw3 h LEU 147 N 0.91 0.87 -0.05 2.58 3.38 -1.14 -0.38 115.31 121.48 2bw3 h LEU 147 Ca 0.20 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bw3 h LEU 147 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2bw3 h LEU 147 CO -0.00 0.91 -0.02 -1.28 0.09 0.00 0.00 178.44 178.14 2bw3 h SER 148 N 0.80 -0.06 -0.86 -0.43 0.87 -0.75 -0.88 113.55 112.23 2bw3 h SER 148 Ca 0.17 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.80 2bw3 h SER 148 Cb 0.41 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 2bw3 h SER 148 CO 0.01 -0.02 0.54 0.03 -0.53 0.00 0.00 176.83 176.86 2bw3 h ARG 149 N -0.01 0.96 -0.48 2.24 3.08 -1.10 -2.00 114.38 117.07 2bw3 h ARG 149 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bw3 h ARG 149 Cb 0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2bw3 h ARG 149 CO -0.05 0.64 0.22 -0.22 -1.07 0.00 0.00 179.97 179.49 2bw3 h LYS 150 N 0.99 0.69 -0.32 0.04 1.63 -0.55 0.13 116.57 119.19 2bw3 h LYS 150 Ca 0.37 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2bw3 h LYS 150 Cb 0.15 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2bw3 h LYS 150 CO -0.17 0.58 0.19 0.28 -3.45 0.00 0.00 179.45 176.88 2bw3 h VAL 151 N 0.62 1.12 -0.27 2.00 2.07 -0.91 0.77 116.25 121.66 2bw3 h VAL 151 Ca 0.16 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2bw3 h VAL 151 Cb 0.13 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2bw3 h VAL 151 CO -0.02 0.12 0.16 0.74 0.02 0.00 0.00 177.57 178.58 2bw3 h THR 152 N 0.40 1.03 -0.18 2.57 2.02 -1.21 -1.48 112.91 116.07 2bw3 h THR 152 Ca 0.11 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2bw3 h THR 152 Cb 0.02 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2bw3 h THR 152 CO -0.02 0.06 -0.43 0.77 0.37 0.00 0.00 175.52 176.26 2bw3 h SER 153 N 0.33 0.46 -0.51 4.18 4.64 -0.76 -2.63 113.55 119.26 2bw3 h SER 153 Ca 0.10 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 2bw3 h SER 153 Cb -0.01 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2bw3 h SER 153 CO -0.05 0.84 -0.08 0.44 -0.87 0.00 0.00 176.83 177.11 2bw3 h ASP 154 N 0.36 0.96 -0.88 4.97 3.32 -0.65 -1.72 116.42 122.78 2bw3 h ASP 154 Ca 0.03 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 2bw3 h ASP 154 Cb 0.91 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 2bw3 h ASP 154 CO 0.08 1.08 0.53 0.00 -1.72 0.00 0.00 179.24 179.20 2bw3 h ALA 155 N 0.91 1.27 -0.49 3.45 0.00 -1.16 -0.05 119.26 123.21 2bw3 h ALA 155 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bw3 h ALA 155 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2bw3 h ALA 155 CO 0.04 0.62 0.19 0.87 0.00 0.00 0.00 179.25 180.97 2bw3 h LYS 156 N 1.21 0.74 -0.32 0.00 1.57 -1.09 -0.99 116.57 117.69 2bw3 h LYS 156 Ca 0.32 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2bw3 h LYS 156 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2bw3 h LYS 156 CO -0.06 0.66 0.21 0.93 -0.57 0.00 0.00 179.45 180.63 2bw3 h GLU 157 N 0.65 0.42 -0.38 3.15 5.08 -0.39 -2.30 114.58 120.81 2bw3 h GLU 157 Ca 0.16 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2bw3 h GLU 157 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2bw3 h GLU 157 CO -0.01 0.28 -0.06 0.87 -1.00 0.00 0.00 179.01 179.08 2bw3 h LYS 158 N 0.44 0.63 -0.58 2.33 1.79 -0.85 -1.15 116.57 119.18 2bw3 h LYS 158 Ca 0.12 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2bw3 h LYS 158 Cb -0.05 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 2bw3 h LYS 158 CO -0.03 0.70 0.18 0.87 -1.08 0.00 0.00 179.45 180.09 2bw3 h LYS 159 N 0.59 0.86 -0.10 3.15 1.57 -1.00 -1.03 116.57 120.60 2bw3 h LYS 159 Ca 0.11 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 2bw3 h LYS 159 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2bw3 h LYS 159 CO 0.02 0.75 -0.75 0.00 -0.57 0.00 0.00 179.45 178.91 2bw3 h ALA 160 N 1.36 0.50 -0.62 3.86 0.00 -0.96 -0.36 119.26 123.03 2bw3 h ALA 160 Ca 0.19 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2bw3 h ALA 160 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2bw3 h ALA 160 CO -0.01 0.74 0.29 1.25 0.00 0.00 0.00 179.25 181.51 2bw3 h LEU 161 N 0.37 0.83 -2.75 0.00 5.85 -0.56 -3.14 115.31 115.91 2bw3 h LEU 161 Ca -0.04 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2bw3 h LEU 161 Cb 1.34 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2bw3 h LEU 161 CO 0.14 0.74 0.00 2.30 -0.34 0.00 0.00 178.44 181.28 2bw3 n ILE 162 N -4.49 0.94 -0.20 4.05 -5.35 -0.45 -4.62 119.36 109.24 2bw3 n ILE 162 Ca 0.04 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2bw3 n ILE 162 Cb 0.14 0.55 0.11 0.00 -1.74 0.00 0.00 39.64 38.70 2bw3 n ILE 162 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2bw3 h GLY 163 N 3.17 0.83 1.00 3.28 0.00 -1.00 -1.30 103.07 109.05 2bw3 h GLY 163 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2bw3 h GLY 163 CO 0.00 -0.05 0.24 3.21 0.00 0.00 0.00 176.54 179.95 2bw3 h ARG 164 N 0.36 0.94 -0.50 4.80 3.08 -1.82 -1.28 114.38 119.96 2bw3 h ARG 164 Ca 0.31 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2bw3 h ARG 164 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2bw3 h ARG 164 CO -0.33 0.80 0.32 1.49 -1.07 0.00 0.00 179.97 181.18 2bw3 h GLU 165 N 0.88 0.66 -0.17 0.04 4.81 -1.74 -0.76 114.58 118.29 2bw3 h GLU 165 Ca 0.21 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2bw3 h GLU 165 Cb 0.21 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2bw3 h GLU 165 CO -0.02 0.45 0.04 0.82 -0.73 0.00 0.00 179.01 179.57 2bw3 h ILE 166 N 0.67 1.21 -0.49 2.32 2.04 -1.01 -1.75 117.51 120.50 2bw3 h ILE 166 Ca 0.18 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 2bw3 h ILE 166 Cb -0.06 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2bw3 h ILE 166 CO -0.04 0.20 0.07 0.11 0.00 0.00 0.00 178.15 178.50 2bw3 h LYS 167 N 0.09 0.78 -0.58 2.37 1.57 -1.09 -2.10 116.57 117.60 2bw3 h LYS 167 Ca 0.05 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 2bw3 h LYS 167 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2bw3 h LYS 167 CO 0.00 0.74 -0.01 1.03 -0.57 0.00 0.00 179.45 180.64 2bw3 h SER 168 N 0.74 1.02 -0.51 0.86 0.87 -1.07 -0.63 113.55 114.83 2bw3 h SER 168 Ca 0.16 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2bw3 h SER 168 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2bw3 h SER 168 CO 0.01 1.08 0.25 0.00 -0.53 0.00 0.00 176.83 177.63 2bw3 h ALA 169 N 0.97 0.66 0.11 6.23 0.00 -1.01 -0.23 119.26 125.98 2bw3 h ALA 169 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bw3 h ALA 169 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bw3 h ALA 169 CO 0.03 0.22 -0.05 0.28 0.00 0.00 0.00 179.25 179.73 2bw3 h VAL 170 N 0.68 1.01 -0.95 0.00 2.07 -1.22 0.10 116.25 117.94 2bw3 h VAL 170 Ca 0.18 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2bw3 h VAL 170 Cb 0.12 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2bw3 h VAL 170 CO -0.02 0.10 0.62 -0.33 0.02 0.00 0.00 177.57 177.96 2bw3 h GLU 171 N -0.34 1.20 -0.99 1.57 5.08 -0.92 -3.03 114.58 117.15 2bw3 h GLU 171 Ca -0.01 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 2bw3 h GLU 171 Cb 0.28 -0.27 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 2bw3 h GLU 171 CO 0.02 0.79 0.29 1.63 -1.00 0.00 0.00 179.01 180.74 2bw3 n LYS 172 N -4.46 1.68 -2.40 2.33 4.76 -0.11 -4.87 118.16 115.08 2bw3 n LYS 172 Ca 0.12 -1.42 -0.21 0.00 -2.87 0.00 0.00 58.31 53.93 2bw3 n LYS 172 Cb 0.06 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 31.66 2bw3 n LYS 172 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bw3 n ASP 173 N -0.23 -5.93 -0.47 4.39 8.00 -1.15 -4.87 116.55 116.29 2bw3 n ASP 173 Ca 0.27 -0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.80 2bw3 n ASP 173 Cb 1.03 -4.94 0.13 0.00 -0.02 0.00 0.00 41.12 37.32 2bw3 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bw3 n GLY 174 N -1.02 3.16 3.56 0.44 0.00 0.34 -4.86 105.19 106.81 2bw3 n GLY 174 Ca -0.25 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2bw3 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw3 s ALA 175 N -1.40 2.92 0.11 4.61 0.00 -1.09 -4.42 121.76 122.49 2bw3 s ALA 175 Ca 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2bw3 s ALA 175 Cb 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2bw3 s ALA 175 CO 0.10 0.62 -0.01 -1.54 0.00 0.00 0.00 175.76 174.92 2bw3 s SER 176 N -1.69 0.76 -0.02 0.00 1.04 -0.19 -1.89 113.70 111.71 2bw3 s SER 176 Ca 0.18 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2bw3 s SER 176 Cb -0.11 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2bw3 s SER 176 CO 0.09 -0.59 0.01 0.00 0.98 0.00 0.00 173.24 173.74 2bw3 s ALA 177 N -3.82 0.18 -0.09 5.32 0.00 0.31 -0.38 121.76 123.27 2bw3 s ALA 177 Ca 0.16 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2bw3 s ALA 177 Cb 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2bw3 s ALA 177 CO -0.03 -0.08 0.40 0.95 0.00 0.00 0.00 175.76 177.00 2bw3 s THR 178 N 0.96 5.17 -0.33 0.00 -4.23 0.20 -0.78 115.64 116.63 2bw3 s THR 178 Ca -0.09 0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 2bw3 s THR 178 Cb -0.12 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.05 2bw3 s THR 178 CO -0.02 0.44 0.07 -0.63 -0.54 0.00 0.00 174.62 173.93 2bw3 s ILE 179 N -0.04 3.35 -0.25 2.99 -1.09 0.12 -1.88 121.20 124.39 2bw3 s ILE 179 Ca 0.22 -1.36 -0.08 0.00 -2.23 0.00 0.00 60.65 57.21 2bw3 s ILE 179 Cb -0.15 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 2bw3 s ILE 179 CO 0.09 -0.20 0.09 -0.62 -1.23 0.00 0.00 174.94 173.07 2bw3 s ASP 180 N 1.39 5.29 -0.09 3.58 3.68 0.01 -4.48 116.67 126.05 2bw3 s ASP 180 Ca -0.02 -0.17 0.03 0.00 2.13 0.00 0.00 52.55 54.52 2bw3 s ASP 180 Cb -0.20 -1.96 0.00 0.00 -1.45 0.00 0.00 42.92 39.32 2bw3 s ASP 180 CO 0.00 -0.04 -0.20 -0.76 0.13 0.00 0.00 175.17 174.30 2bw3 s LEU 181 N 1.64 1.94 0.04 -1.34 1.43 -1.26 0.47 118.68 121.60 2bw3 s LEU 181 Ca 0.06 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2bw3 s LEU 181 Cb -0.15 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 2bw3 s LEU 181 CO 0.05 0.12 0.14 -1.66 0.23 0.00 0.00 176.35 175.23 2bw3 s TRP 182 N 0.46 0.13 -0.21 0.29 -2.14 -0.79 -4.98 118.94 111.70 2bw3 s TRP 182 Ca -0.17 -0.39 -0.10 0.00 2.66 0.00 0.00 56.10 58.10 2bw3 s TRP 182 Cb -0.17 -0.09 -0.05 0.00 -3.10 0.00 0.00 33.47 30.06 2bw3 s TRP 182 CO 0.07 -0.39 0.13 0.99 -2.66 0.00 0.00 176.95 175.09 2bw3 s THR 183 N -2.56 5.29 -0.39 0.66 2.01 -1.26 -0.30 115.64 119.10 2bw3 s THR 183 Ca -0.05 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2bw3 s THR 183 Cb -0.01 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2bw3 s THR 183 CO -0.04 0.42 0.22 -0.62 -0.69 0.00 0.00 174.62 173.91 2bw3 s ASP 184 N 0.57 5.74 0.05 3.53 3.68 0.59 -4.95 116.67 125.89 2bw3 s ASP 184 Ca 0.07 -1.08 0.28 0.00 2.13 0.00 0.00 52.55 53.95 2bw3 s ASP 184 Cb -0.12 -2.03 1.12 0.00 -1.45 0.00 0.00 42.92 40.45 2bw3 s ASP 184 CO 0.00 -0.42 1.88 0.59 0.13 0.00 0.00 175.17 177.36 2bw3 n ASN 185 N 5.00 0.20 -0.08 -0.34 5.03 -1.26 -1.05 115.26 122.75 2bw3 n ASN 185 Ca -0.12 0.52 -0.16 0.00 0.87 0.00 0.00 54.58 55.69 2bw3 n ASN 185 Cb 0.45 -0.57 -0.12 0.00 -1.02 0.00 0.00 39.78 38.53 2bw3 n ASN 185 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2bw3 h TYR 186 N 0.00 0.00 0.00 3.10 3.20 -1.95 -3.35 116.97 117.98 2bw3 h TYR 186 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2bw3 h TYR 186 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2bw3 h TYR 186 CO 0.00 1.12 0.00 0.82 -1.64 0.00 0.00 178.16 178.46 2bw3 h ILE 187 N -1.00 0.00 -5.66 1.81 1.08 -1.99 -3.47 117.51 108.28 2bw3 h ILE 187 Ca -0.13 -0.51 -0.28 0.00 -0.39 0.00 0.00 64.86 63.55 2bw3 h ILE 187 Cb 1.06 1.44 0.15 0.00 -3.07 0.00 0.00 36.82 36.40 2bw3 h ILE 187 CO -0.08 0.00 -0.81 0.29 -0.69 0.00 0.00 178.15 176.86 2bw3 n LYS 188 N -2.46 -1.89 -3.66 2.37 4.76 -0.22 -5.03 118.16 112.03 2bw3 n LYS 188 Ca 0.04 0.82 -0.15 0.00 -2.87 0.00 0.00 58.31 56.15 2bw3 n LYS 188 Cb 0.39 -5.35 -0.08 0.00 -1.84 0.00 0.00 35.03 28.15 2bw3 n LYS 188 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2bw3 s ARG 189 N -4.67 0.76 -0.09 1.97 6.06 -0.73 -4.54 118.95 117.72 2bw3 s ARG 189 Ca 0.42 0.39 -0.08 0.00 -2.50 0.00 0.00 55.73 53.95 2bw3 s ARG 189 Cb -0.08 0.36 -0.04 0.00 0.06 0.00 0.00 34.95 35.25 2bw3 s ARG 189 CO 0.77 -0.17 0.19 -0.80 -2.50 0.00 0.00 175.30 172.79 2bw3 s ASN 190 N -0.52 6.46 -0.05 -2.12 0.01 0.46 -0.30 114.94 118.88 2bw3 s ASN 190 Ca -0.06 0.54 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 2bw3 s ASN 190 Cb -0.03 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 2bw3 s ASN 190 CO 0.04 0.38 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.59 2bw3 s PHE 191 N -1.07 2.93 -0.29 2.20 0.40 0.58 0.73 117.98 123.47 2bw3 s PHE 191 Ca 0.18 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2bw3 s PHE 191 Cb -0.13 -1.69 0.09 0.00 0.51 0.00 0.00 43.02 41.81 2bw3 s PHE 191 CO 0.07 0.35 0.06 -1.17 0.70 0.00 0.00 175.22 175.23 2bw3 s LEU 192 N -0.99 2.65 -0.09 -0.37 2.96 -0.06 -1.89 118.68 120.89 2bw3 s LEU 192 Ca 0.14 -1.58 -0.13 0.00 -0.22 0.00 0.00 54.13 52.34 2bw3 s LEU 192 Cb -0.11 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 2bw3 s LEU 192 CO 0.03 -0.37 0.31 -0.83 -1.32 0.00 0.00 176.35 174.17 2bw3 s GLY 193 N 1.48 2.30 -0.12 7.98 0.00 0.18 -1.16 107.32 117.97 2bw3 s GLY 193 Ca 0.06 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.39 2bw3 s GLY 193 CO -0.17 0.16 -0.12 0.14 0.00 0.00 0.00 173.10 173.10 2bw3 s VAL 194 N -0.41 1.36 -0.07 1.40 1.01 0.28 -0.81 120.40 123.16 2bw3 s VAL 194 Ca 0.19 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2bw3 s VAL 194 Cb -0.14 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2bw3 s VAL 194 CO 0.07 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.55 2bw3 s THR 195 N 1.36 1.38 0.02 3.92 2.01 -0.79 -0.61 115.64 122.93 2bw3 s THR 195 Ca 0.00 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 2bw3 s THR 195 Cb -0.13 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 2bw3 s THR 195 CO -0.07 0.41 0.57 -0.22 -0.69 0.00 0.00 174.62 174.62 2bw3 s LEU 196 N 0.52 4.46 -0.05 4.42 2.96 0.06 -0.63 118.68 130.42 2bw3 s LEU 196 Ca -0.14 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 2bw3 s LEU 196 Cb -0.16 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.66 2bw3 s LEU 196 CO 0.05 0.18 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.13 2bw3 s HIS 197 N -0.56 1.36 0.19 5.38 3.76 0.49 -0.70 115.29 125.20 2bw3 s HIS 197 Ca 0.29 -0.44 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 2bw3 s HIS 197 Cb -0.18 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.55 2bw3 s HIS 197 CO 0.17 -0.20 0.33 2.48 -0.85 0.00 0.00 174.74 176.67 2bw3 n TYR 198 N 3.55 -1.35 -4.20 1.40 0.18 -0.78 -1.02 117.16 114.94 2bw3 n TYR 198 Ca -0.21 -1.04 -0.13 0.00 1.88 0.00 0.00 57.90 58.40 2bw3 n TYR 198 Cb 0.53 0.38 -0.10 0.00 -0.38 0.00 0.00 39.34 39.76 2bw3 n TYR 198 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 2bw3 s HIS 199 N -4.88 1.07 -0.24 -3.48 -3.43 -1.26 -0.61 115.29 102.46 2bw3 s HIS 199 Ca 0.11 -0.77 -0.03 0.00 -0.80 0.00 0.00 55.06 53.58 2bw3 s HIS 199 Cb -0.02 -0.58 0.08 0.00 -1.43 0.00 0.00 32.58 30.63 2bw3 s HIS 199 CO 0.08 -0.02 0.07 -2.00 -2.00 0.00 0.00 174.74 170.87 2bw3 s GLU 200 N -3.41 0.56 7.24 -0.38 2.56 0.87 -4.93 118.70 121.22 2bw3 s GLU 200 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.47 2bw3 s GLU 200 Cb 0.01 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.24 2bw3 s GLU 200 CO -0.01 -0.80 0.00 0.09 -0.56 0.00 0.00 175.26 173.97 2bw3 n ASN 201 N 5.04 0.00 0.12 -1.70 3.02 -1.26 -1.02 115.26 119.45 2bw3 n ASN 201 Ca -0.06 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.61 2bw3 n ASN 201 Cb 0.45 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.03 2bw3 n ASN 201 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2bw3 h ASN 202 N 0.00 0.00 -3.19 6.41 2.35 -1.97 -3.46 115.58 115.72 2bw3 h ASN 202 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2bw3 h ASN 202 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2bw3 h ASN 202 CO 0.00 0.00 -0.09 -1.61 -1.65 0.00 0.00 177.43 174.08 2bw3 s GLU 203 N -3.14 4.14 0.01 0.81 2.02 -0.19 -4.77 118.70 117.58 2bw3 s GLU 203 Ca 0.09 0.63 -0.17 0.00 0.02 0.00 0.00 54.97 55.54 2bw3 s GLU 203 Cb 0.11 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 2bw3 s GLU 203 CO 0.57 0.59 0.48 -0.51 0.02 0.00 0.00 175.26 176.41 2bw3 s LEU 204 N -0.88 4.47 -0.11 1.80 2.01 -1.26 -0.09 118.68 124.62 2bw3 s LEU 204 Ca 0.27 1.06 0.02 0.00 0.01 0.00 0.00 54.13 55.49 2bw3 s LEU 204 Cb -0.18 -2.72 -0.01 0.00 0.01 0.00 0.00 46.19 43.29 2bw3 s LEU 204 CO 0.17 0.27 -0.17 -0.13 1.01 0.00 0.00 176.35 177.50 2bw3 s ARG 205 N -0.89 3.14 -0.23 1.70 3.00 0.22 -4.92 118.95 120.96 2bw3 s ARG 205 Ca 0.26 -0.75 -0.01 0.00 0.00 0.00 0.00 55.73 55.24 2bw3 s ARG 205 Cb -0.18 -2.49 0.07 0.00 0.00 0.00 0.00 34.95 32.35 2bw3 s ARG 205 CO 0.15 0.27 0.00 0.16 0.00 0.00 0.00 175.30 175.88 2bw3 s ASP 206 N 0.18 3.53 -0.20 0.23 3.84 -1.26 -1.86 116.67 121.13 2bw3 s ASP 206 Ca -0.10 -1.12 -0.03 0.00 -0.00 0.00 0.00 52.55 51.30 2bw3 s ASP 206 Cb -0.16 -0.92 -0.01 0.00 -1.38 0.00 0.00 42.92 40.45 2bw3 s ASP 206 CO 0.06 -0.29 -0.07 -0.76 -0.00 0.00 0.00 175.17 174.10 2bw3 s LEU 207 N 1.59 2.80 -0.08 2.11 1.43 0.12 -4.84 118.68 121.81 2bw3 s LEU 207 Ca -0.01 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 2bw3 s LEU 207 Cb -0.18 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2bw3 s LEU 207 CO -0.09 0.01 1.23 -0.63 0.23 0.00 0.00 176.35 177.10 2bw3 s ILE 208 N 1.26 4.23 -0.13 -0.59 1.01 -1.26 -0.76 121.20 124.96 2bw3 s ILE 208 Ca 0.03 1.55 0.19 0.00 0.00 0.00 0.00 60.65 62.42 2bw3 s ILE 208 Cb -0.14 -3.99 -0.26 0.00 0.01 0.00 0.00 42.46 38.07 2bw3 s ILE 208 CO -0.03 -0.03 0.32 0.18 0.00 0.00 0.00 174.94 175.38 2bw3 n LEU 209 N 5.55 0.15 -3.64 2.97 4.77 0.22 -3.67 117.00 123.35 2bw3 n LEU 209 Ca 0.12 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2bw3 n LEU 209 Cb 0.46 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 2bw3 n LEU 209 CO 0.55 0.29 1.15 -0.83 -1.33 0.00 0.00 177.39 177.23 2bw3 s GLY 210 N -5.08 -0.09 -0.35 -0.72 0.00 -1.12 -4.95 107.32 95.01 2bw3 s GLY 210 Ca -0.08 2.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.90 2bw3 s GLY 210 CO 0.85 0.82 0.20 -2.27 0.00 0.00 0.00 173.10 172.71 2bw3 s LEU 211 N -1.62 1.14 -0.07 0.66 2.96 -1.26 -0.55 118.68 119.94 2bw3 s LEU 211 Ca 0.10 -2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 51.66 2bw3 s LEU 211 Cb -0.01 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 2bw3 s LEU 211 CO -0.05 -0.32 0.64 -0.54 -1.32 0.00 0.00 176.35 174.76 2bw3 s LYS 212 N 1.11 4.41 -0.42 1.98 -0.14 -0.31 -4.82 119.74 121.55 2bw3 s LYS 212 Ca 0.17 0.77 -0.19 0.00 -1.36 0.00 0.00 55.97 55.35 2bw3 s LYS 212 Cb -0.22 -3.43 0.02 0.00 -1.68 0.00 0.00 37.83 32.51 2bw3 s LYS 212 CO -0.03 0.12 0.56 0.45 -0.76 0.00 0.00 175.35 175.69 2bw3 s SER 213 N 0.65 6.28 0.00 2.83 0.15 -1.26 -0.88 113.70 121.47 2bw3 s SER 213 Ca 0.34 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2bw3 s SER 213 Cb -0.17 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2bw3 s SER 213 CO 0.16 -0.67 0.06 -0.76 1.20 0.00 0.00 173.24 173.23 2bw3 s LEU 214 N 2.54 3.80 0.19 3.45 1.02 0.22 -4.94 118.68 124.96 2bw3 s LEU 214 Ca 0.19 0.10 -0.30 0.00 0.02 0.00 0.00 54.13 54.13 2bw3 s LEU 214 Cb -0.15 -2.22 -0.08 0.00 0.02 0.00 0.00 46.19 43.75 2bw3 s LEU 214 CO 0.16 0.27 1.21 -0.62 0.02 0.00 0.00 176.35 177.39 2bw3 s ASP 215 N -1.74 7.06 0.47 2.29 -1.08 -1.26 -0.40 116.67 122.01 2bw3 s ASP 215 Ca 0.22 2.25 0.26 0.00 -0.52 0.00 0.00 52.55 54.76 2bw3 s ASP 215 Cb -0.12 -2.61 1.30 0.00 -1.46 0.00 0.00 42.92 40.03 2bw3 s ASP 215 CO 0.14 -0.39 1.83 -0.26 0.52 0.00 0.00 175.17 177.01 2bw3 h PHE 216 N 5.27 0.31 -0.00 -5.34 0.05 -1.95 0.73 116.94 116.01 2bw3 h PHE 216 Ca -0.44 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.36 2bw3 h PHE 216 Cb 1.21 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.07 2bw3 h PHE 216 CO 0.62 0.05 -0.30 0.39 -0.18 0.00 0.00 178.31 178.90 2bw3 n GLU 217 N -4.41 0.15 -1.79 1.51 1.02 -1.26 -3.88 120.64 111.98 2bw3 n GLU 217 Ca 0.22 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2bw3 n GLU 217 Cb 0.93 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.89 2bw3 n GLU 217 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bw3 n ARG 218 N -1.37 3.15 -0.60 3.49 5.12 0.25 -4.70 116.66 122.00 2bw3 n ARG 218 Ca 0.08 -3.80 0.06 0.00 -1.93 0.00 0.00 57.85 52.26 2bw3 n ARG 218 Cb 0.33 -2.28 0.20 0.00 -1.16 0.00 0.00 32.46 29.56 2bw3 n ARG 218 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2bw3 n SER 219 N -0.75 1.72 -4.36 0.55 7.64 -1.23 -4.68 113.62 112.50 2bw3 n SER 219 Ca 0.52 -3.85 -0.29 0.00 1.01 0.00 0.00 58.87 56.25 2bw3 n SER 219 Cb 0.74 -0.52 0.17 0.00 -1.01 0.00 0.00 64.21 63.58 2bw3 n SER 219 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2bw3 s THR 220 N -3.17 1.94 0.19 0.44 -4.23 -1.26 -4.77 115.64 104.77 2bw3 s THR 220 Ca 0.38 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 2bw3 s THR 220 Cb 0.37 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 71.45 2bw3 s THR 220 CO -0.07 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 175.86 2bw3 h ALA 221 N -1.65 0.81 -0.62 3.99 0.00 -1.94 -0.50 119.26 119.34 2bw3 h ALA 221 Ca -0.46 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2bw3 h ALA 221 Cb 1.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2bw3 h ALA 221 CO 0.48 0.19 0.41 0.93 0.00 0.00 0.00 179.25 181.26 2bw3 h GLU 222 N 0.81 0.81 -0.43 0.00 3.07 -1.92 -0.20 114.58 116.73 2bw3 h GLU 222 Ca 0.24 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 2bw3 h GLU 222 Cb -0.05 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.66 2bw3 h GLU 222 CO -0.07 0.54 0.07 -0.91 -1.40 0.00 0.00 179.01 177.23 2bw3 h ASN 223 N 0.84 0.68 -0.09 1.42 -0.26 -1.72 -1.00 115.58 115.45 2bw3 h ASN 223 Ca 0.23 -0.26 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2bw3 h ASN 223 Cb -0.09 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 2bw3 h ASN 223 CO -0.05 0.77 0.05 0.40 -1.06 0.00 0.00 177.43 177.53 2bw3 h ILE 224 N 0.56 1.07 -0.81 2.81 2.04 -0.78 -0.63 117.51 121.77 2bw3 h ILE 224 Ca 0.13 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2bw3 h ILE 224 Cb 0.38 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 2bw3 h ILE 224 CO 0.01 0.06 0.50 0.22 0.00 0.00 0.00 178.15 178.94 2bw3 h TYR 225 N 0.06 0.92 -0.54 1.37 3.20 -0.91 -0.37 116.97 120.70 2bw3 h TYR 225 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2bw3 h TYR 225 Cb 0.06 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 2bw3 h TYR 225 CO -0.05 0.48 0.28 -0.22 -1.64 0.00 0.00 178.16 177.01 2bw3 h LYS 226 N 0.93 0.77 -0.51 1.82 3.64 -0.85 -0.17 116.57 122.19 2bw3 h LYS 226 Ca 0.35 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2bw3 h LYS 226 Cb 0.14 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2bw3 h LYS 226 CO -0.16 0.61 0.32 0.87 -2.27 0.00 0.00 179.45 178.82 2bw3 h LYS 227 N 0.73 0.69 -0.01 1.90 1.79 -0.30 -1.12 116.57 120.25 2bw3 h LYS 227 Ca 0.19 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2bw3 h LYS 227 Cb 0.08 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2bw3 h LYS 227 CO -0.03 0.49 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.76 2bw3 h LEU 228 N 0.69 -0.01 -0.63 2.94 3.38 -0.65 -0.76 115.31 120.27 2bw3 h LEU 228 Ca 0.19 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2bw3 h LEU 228 Cb -0.04 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2bw3 h LEU 228 CO -0.04 -0.00 0.28 0.11 0.09 0.00 0.00 178.44 178.88 2bw3 h LYS 229 N -0.00 0.48 -0.92 1.13 1.79 -0.88 -1.72 116.57 116.45 2bw3 h LYS 229 Ca 0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2bw3 h LYS 229 Cb 0.01 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 2bw3 h LYS 229 CO -0.01 0.32 0.58 0.00 -1.08 0.00 0.00 179.45 179.26 2bw3 h ALA 230 N 1.40 1.17 -0.16 3.86 0.00 -0.76 -0.49 119.26 124.27 2bw3 h ALA 230 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2bw3 h ALA 230 Cb 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2bw3 h ALA 230 CO -0.27 0.59 0.06 0.82 0.00 0.00 0.00 179.25 180.45 2bw3 h ILE 231 N 1.25 1.17 -0.00 0.00 2.04 -0.39 -2.39 117.51 119.19 2bw3 h ILE 231 Ca 0.33 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2bw3 h ILE 231 Cb -0.10 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2bw3 h ILE 231 CO -0.07 0.16 -0.46 -0.26 0.00 0.00 0.00 178.15 177.52 2bw3 h PHE 232 N 0.09 0.01 0.00 1.37 -1.00 -1.20 -2.31 116.94 113.90 2bw3 h PHE 232 Ca 0.05 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 2bw3 h PHE 232 Cb 0.20 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2bw3 h PHE 232 CO -0.01 0.47 -0.27 0.77 -1.61 0.00 0.00 178.31 177.67 2bw3 h SER 233 N 0.01 0.00 0.51 2.17 0.02 -0.83 0.28 113.55 115.70 2bw3 h SER 233 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bw3 h SER 233 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2bw3 h SER 233 CO 0.06 0.27 0.00 1.56 -1.14 0.00 0.00 176.83 177.58 2bw3 h GLN 234 N 0.00 0.00 -0.21 3.45 4.20 -0.90 0.14 115.11 121.79 2bw3 h GLN 234 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bw3 h GLN 234 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2bw3 h GLN 234 CO 0.03 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.38 2bw3 n PHE 235 N -2.60 0.59 -2.46 2.96 3.01 -0.55 -4.97 117.46 113.44 2bw3 n PHE 235 Ca 0.00 -0.78 -0.20 0.00 1.01 0.00 0.00 57.45 57.48 2bw3 n PHE 235 Cb 0.18 -0.20 -0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2bw3 n PHE 235 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2bw3 n ASN 236 N -0.44 -5.62 -4.26 4.37 3.02 0.50 -4.90 115.26 107.92 2bw3 n ASN 236 Ca 0.16 -0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 2bw3 n ASN 236 Cb 0.69 -4.63 -0.10 0.00 -0.61 0.00 0.00 39.78 35.13 2bw3 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bw3 s VAL 237 N -3.00 4.08 -0.11 2.41 1.01 -0.02 -4.93 120.40 119.84 2bw3 s VAL 237 Ca 0.04 -1.42 0.20 0.00 0.00 0.00 0.00 61.98 60.81 2bw3 s VAL 237 Cb -0.02 -3.50 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 2bw3 s VAL 237 CO 0.05 -0.48 0.53 -0.62 0.00 0.00 0.00 175.10 174.59 2bw3 n GLU 238 N 4.87 0.65 -3.74 2.72 -0.58 -1.26 -3.35 120.64 119.95 2bw3 n GLU 238 Ca -0.10 -0.03 -0.38 0.00 -0.42 0.00 0.00 57.16 56.23 2bw3 n GLU 238 Cb 0.43 -1.62 -0.12 0.00 -0.57 0.00 0.00 31.44 29.56 2bw3 n GLU 238 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2bw3 s ASP 239 N -5.09 5.27 0.00 1.62 3.68 -1.26 -4.94 116.67 115.95 2bw3 s ASP 239 Ca -0.06 -0.95 0.22 0.00 2.13 0.00 0.00 52.55 53.88 2bw3 s ASP 239 Cb 0.11 -1.89 0.52 0.00 -1.45 0.00 0.00 42.92 40.21 2bw3 s ASP 239 CO 0.86 -0.28 1.44 0.18 0.13 0.00 0.00 175.17 177.51 2bw3 n LEU 240 N 4.85 3.13 -0.26 -1.34 4.77 -1.26 -4.61 117.00 122.28 2bw3 n LEU 240 Ca -0.13 -1.40 0.05 0.00 -0.03 0.00 0.00 56.01 54.50 2bw3 n LEU 240 Cb 0.46 -0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2bw3 n LEU 240 CO 0.32 0.70 0.83 0.28 -1.33 0.00 0.00 177.39 178.19 2bw3 h SER 241 N 3.89 -0.33 -0.02 -1.43 0.02 -1.95 -2.00 113.55 111.73 2bw3 h SER 241 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2bw3 h SER 241 Cb 0.86 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2bw3 h SER 241 CO 0.00 -0.18 0.00 -1.20 -1.14 0.00 0.00 176.83 174.31 2bw3 n SER 242 N -5.34 1.38 -4.71 3.07 7.64 -1.26 -4.59 113.62 109.81 2bw3 n SER 242 Ca 0.14 -1.47 -0.42 0.00 1.01 0.00 0.00 58.87 58.13 2bw3 n SER 242 Cb 0.48 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 2bw3 n SER 242 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2bw3 s ILE 243 N -1.99 4.88 -0.28 0.44 1.01 -0.75 -4.68 121.20 119.83 2bw3 s ILE 243 Ca 0.39 1.98 -0.24 0.00 0.00 0.00 0.00 60.65 62.77 2bw3 s ILE 243 Cb 0.21 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 2bw3 s ILE 243 CO 0.33 0.14 0.82 -0.54 0.00 0.00 0.00 174.94 175.69 2bw3 s LYS 244 N 1.17 4.07 -0.03 2.79 3.01 -0.79 -4.17 119.74 125.78 2bw3 s LYS 244 Ca 0.49 0.77 -0.14 0.00 -1.01 0.00 0.00 55.97 56.08 2bw3 s LYS 244 Cb -0.20 -3.69 -0.05 0.00 -1.01 0.00 0.00 37.83 32.88 2bw3 s LYS 244 CO 0.25 -0.61 0.37 -0.06 0.51 0.00 0.00 175.35 175.80 2bw3 s PHE 245 N 2.93 3.69 -0.22 3.18 0.40 -0.29 -0.53 117.98 127.13 2bw3 s PHE 245 Ca 0.34 0.90 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 2bw3 s PHE 245 Cb -0.15 -2.25 0.04 0.00 0.51 0.00 0.00 43.02 41.17 2bw3 s PHE 245 CO 0.10 0.62 -0.14 0.08 0.70 0.00 0.00 175.22 176.57 2bw3 s VAL 246 N -0.91 2.07 0.13 -0.44 1.01 0.04 -0.15 120.40 122.15 2bw3 s VAL 246 Ca 0.22 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 2bw3 s VAL 246 Cb -0.16 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2bw3 s VAL 246 CO 0.11 0.21 0.05 0.42 0.00 0.00 0.00 175.10 175.90 2bw3 s THR 247 N 1.21 0.16 0.98 3.92 -4.23 -0.90 -0.70 115.64 116.08 2bw3 s THR 247 Ca -0.03 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 2bw3 s THR 247 Cb -0.17 -2.04 0.22 0.00 1.34 0.00 0.00 72.50 71.84 2bw3 s THR 247 CO -0.08 -0.47 1.34 1.51 -0.54 0.00 0.00 174.62 176.37 2bw3 s ASP 248 N -3.06 2.93 -0.07 3.99 1.47 -1.26 -0.64 116.67 120.03 2bw3 s ASP 248 Ca 0.24 0.19 0.06 0.00 1.18 0.00 0.00 52.55 54.23 2bw3 s ASP 248 Cb 0.07 -0.18 0.30 0.00 -0.34 0.00 0.00 42.92 42.78 2bw3 s ASP 248 CO 0.02 -2.84 1.05 0.54 0.68 0.00 0.00 175.17 174.61 2bw3 n ARG 249 N -3.83 2.27 -1.67 2.11 1.74 -1.26 -4.67 116.66 111.36 2bw3 n ARG 249 Ca 0.16 -1.17 -0.44 0.00 -0.77 0.00 0.00 57.85 55.64 2bw3 n ARG 249 Cb 0.59 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 2bw3 n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bw3 n GLY 250 N 0.45 0.52 0.24 -0.13 0.00 -1.26 -4.82 105.19 100.19 2bw3 n GLY 250 Ca 0.10 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.54 2bw3 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw3 h ALA 251 N 3.16 0.66 -0.16 4.61 0.00 -2.00 -2.17 119.26 123.36 2bw3 h ALA 251 Ca -0.45 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2bw3 h ALA 251 Cb 1.29 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2bw3 h ALA 251 CO 0.68 -0.39 -0.32 -0.91 0.00 0.00 0.00 179.25 178.30 2bw3 h ASN 252 N 0.13 0.56 -0.34 0.00 2.35 -1.92 -2.11 115.58 114.26 2bw3 h ASN 252 Ca 0.34 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 2bw3 h ASN 252 Cb 0.56 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2bw3 h ASN 252 CO -0.54 1.01 0.01 1.62 -1.65 0.00 0.00 177.43 177.88 2bw3 h VAL 253 N 0.12 1.22 -0.26 2.81 3.04 -1.88 0.77 116.25 122.07 2bw3 h VAL 253 Ca 0.00 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.76 2bw3 h VAL 253 Cb 0.92 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2bw3 h VAL 253 CO 0.07 0.32 0.03 0.58 -1.01 0.00 0.00 177.57 177.56 2bw3 h VAL 254 N 0.65 1.24 -0.33 1.51 2.07 -1.40 -2.72 116.25 117.27 2bw3 h VAL 254 Ca 0.13 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 2bw3 h VAL 254 Cb 0.39 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2bw3 h VAL 254 CO 0.01 0.26 -0.15 0.11 0.02 0.00 0.00 177.57 177.82 2bw3 h LYS 255 N 0.24 0.58 0.00 1.57 1.57 -1.02 -2.70 116.57 116.81 2bw3 h LYS 255 Ca 0.08 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2bw3 h LYS 255 Cb 0.35 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2bw3 h LYS 255 CO 0.01 0.71 -0.06 0.66 -0.57 0.00 0.00 179.45 180.19 2bw3 h SER 256 N 0.53 0.00 -0.20 0.86 4.64 -0.55 -2.39 113.55 116.43 2bw3 h SER 256 Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2bw3 h SER 256 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2bw3 h SER 256 CO 0.04 0.06 -0.04 0.18 -0.87 0.00 0.00 176.83 176.20 2bw3 n LEU 257 N -3.82 3.51 0.31 5.97 4.77 -1.04 -4.72 117.00 121.98 2bw3 n LEU 257 Ca -0.02 -3.24 0.19 0.00 -0.03 0.00 0.00 56.01 52.90 2bw3 n LEU 257 Cb 0.16 -0.54 1.04 0.00 -2.33 0.00 0.00 43.42 41.75 2bw3 n LEU 257 CO 0.29 0.84 1.16 0.00 -1.33 0.00 0.00 177.39 178.36 2bw3 h ALA 258 N 1.15 1.29 -0.62 -1.18 0.00 -1.23 -0.30 119.26 118.37 2bw3 h ALA 258 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bw3 h ALA 258 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2bw3 h ALA 258 CO 0.20 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.44 2bw3 n ASN 259 N -3.33 3.75 -4.60 0.00 3.02 -1.26 -4.96 115.26 107.88 2bw3 n ASN 259 Ca -0.02 -1.99 -0.27 0.00 -0.03 0.00 0.00 54.58 52.27 2bw3 n ASN 259 Cb 0.16 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 2bw3 n ASN 259 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2bw3 s ASN 260 N -1.11 3.90 0.03 6.41 -0.87 -0.12 -5.03 114.94 118.15 2bw3 s ASN 260 Ca 0.44 -1.25 -0.30 0.00 -1.57 0.00 0.00 52.86 50.18 2bw3 s ASN 260 Cb 0.24 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.25 41.01 2bw3 s ASN 260 CO 0.31 -0.34 1.31 -0.63 -2.57 0.00 0.00 177.10 175.18 2bw3 s ILE 261 N -2.64 3.83 -0.06 0.60 1.01 -1.26 -4.99 121.20 117.68 2bw3 s ILE 261 Ca 0.35 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 62.22 2bw3 s ILE 261 Cb 0.06 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.76 2bw3 s ILE 261 CO 0.18 0.04 0.12 -0.60 0.00 0.00 0.00 174.94 174.69 2bw3 s ARG 262 N 1.77 0.04 -0.00 2.79 3.52 -1.26 -1.14 118.95 124.66 2bw3 s ARG 262 Ca 0.61 0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.63 2bw3 s ARG 262 Cb -0.31 -0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 2bw3 s ARG 262 CO 0.27 -0.21 -0.08 0.42 -0.81 0.00 0.00 175.30 174.89 2bw3 s ILE 263 N 1.47 3.53 0.20 4.11 1.01 0.79 -4.97 121.20 127.35 2bw3 s ILE 263 Ca -0.06 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 2bw3 s ILE 263 Cb -0.12 -2.51 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 2bw3 s ILE 263 CO -0.05 0.43 0.89 0.20 0.00 0.00 0.00 174.94 176.40 2bw3 s ASN 264 N -1.30 7.55 0.05 3.58 0.01 -1.26 -2.12 114.94 121.45 2bw3 s ASN 264 Ca 0.16 1.83 -0.31 0.00 -0.71 0.00 0.00 52.86 53.84 2bw3 s ASN 264 Cb -0.11 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 38.90 2bw3 s ASN 264 CO 0.06 0.15 1.60 0.00 -1.51 0.00 0.00 177.10 177.40 2bw3 h SER 266 N 8.24 0.00 -0.11 0.00 0.02 -1.62 -2.20 113.55 117.89 2bw3 h SER 266 Ca -0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2bw3 h SER 266 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2bw3 h SER 266 CO 0.92 0.23 0.04 0.28 -1.14 0.00 0.00 176.83 177.16 2bw3 h SER 267 N 0.00 0.16 -0.39 3.07 0.02 -1.91 -0.78 113.55 113.71 2bw3 h SER 267 Ca -0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2bw3 h SER 267 Cb 0.99 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2bw3 h SER 267 CO 0.03 0.31 0.19 -0.74 -1.14 0.00 0.00 176.83 175.48 2bw3 h HIS 268 N -0.01 0.57 -0.15 3.45 6.17 -1.94 -1.36 115.15 121.88 2bw3 h HIS 268 Ca 0.04 -0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.09 2bw3 h HIS 268 Cb 0.21 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 2bw3 h HIS 268 CO -0.00 0.47 0.09 -0.07 0.71 0.00 0.00 177.93 179.13 2bw3 h LEU 269 N 0.49 0.14 -0.84 0.26 3.38 -1.31 -0.13 115.31 117.30 2bw3 h LEU 269 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2bw3 h LEU 269 Cb 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2bw3 h LEU 269 CO -0.02 0.11 0.50 0.25 0.09 0.00 0.00 178.44 179.37 2bw3 h LEU 270 N 0.18 1.02 -0.72 1.67 5.85 -1.06 -0.03 115.31 122.23 2bw3 h LEU 270 Ca 0.06 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2bw3 h LEU 270 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2bw3 h LEU 270 CO -0.03 0.80 0.43 -1.28 -0.34 0.00 0.00 178.44 178.02 2bw3 h SER 271 N 1.16 0.87 -0.72 1.25 0.87 -0.89 -1.52 113.55 114.58 2bw3 h SER 271 Ca 0.30 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2bw3 h SER 271 Cb -0.03 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 2bw3 h SER 271 CO -0.05 0.68 0.22 0.78 -0.53 0.00 0.00 176.83 177.92 2bw3 h ASN 272 N 0.99 1.06 -0.21 6.23 2.35 -0.26 -0.80 115.58 124.94 2bw3 h ASN 272 Ca 0.26 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2bw3 h ASN 272 Cb -0.03 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 2bw3 h ASN 272 CO -0.05 0.99 0.04 0.58 -1.65 0.00 0.00 177.43 177.34 2bw3 h VAL 273 N 1.08 0.91 0.16 2.81 2.07 -0.54 -1.48 116.25 121.26 2bw3 h VAL 273 Ca 0.23 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2bw3 h VAL 273 Cb 0.32 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2bw3 h VAL 273 CO -0.01 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.46 2bw3 h LEU 274 N 0.13 -0.18 -0.27 2.57 3.38 -0.96 -1.82 115.31 118.16 2bw3 h LEU 274 Ca 0.09 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2bw3 h LEU 274 Cb 0.09 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2bw3 h LEU 274 CO -0.12 0.06 0.11 -0.08 0.09 0.00 0.00 178.44 178.50 2bw3 h GLU 275 N -0.42 0.24 -0.82 1.13 4.81 -1.15 -1.85 114.58 116.51 2bw3 h GLU 275 Ca -0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2bw3 h GLU 275 Cb 0.33 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2bw3 h GLU 275 CO 0.04 0.16 0.41 -0.91 -0.73 0.00 0.00 179.01 177.98 2bw3 h ASN 276 N 0.24 1.06 -0.49 1.04 4.21 -1.26 -2.43 115.58 117.95 2bw3 h ASN 276 Ca 0.12 -0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 2bw3 h ASN 276 Cb 0.07 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 2bw3 h ASN 276 CO -0.11 0.87 0.07 0.28 -1.29 0.00 0.00 177.43 177.26 2bw3 h SER 277 N 1.16 0.78 -0.28 5.81 0.02 -0.89 -0.07 113.55 120.09 2bw3 h SER 277 Ca 0.29 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2bw3 h SER 277 Cb 0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2bw3 h SER 277 CO -0.04 0.85 0.01 -0.26 -1.14 0.00 0.00 176.83 176.24 2bw3 h PHE 278 N 0.68 0.53 -0.24 3.45 -1.00 -1.29 -2.66 116.94 116.42 2bw3 h PHE 278 Ca 0.15 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 2bw3 h PHE 278 Cb 0.40 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 2bw3 h PHE 278 CO 0.03 0.63 0.13 0.93 -1.61 0.00 0.00 178.31 178.41 2bw3 h GLU 279 N 0.27 0.32 -0.01 1.51 5.08 -1.28 -2.44 114.58 118.03 2bw3 h GLU 279 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bw3 h GLU 279 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bw3 h GLU 279 CO 0.01 0.24 -0.14 0.39 -1.00 0.00 0.00 179.01 178.51 2bw3 n GLU 280 N -4.47 0.88 -3.49 2.33 1.02 -0.05 -4.57 120.64 112.28 2bw3 n GLU 280 Ca 0.01 -0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 56.31 2bw3 n GLU 280 Cb 0.10 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 2bw3 n GLU 280 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2bw3 s THR 281 N -2.40 4.57 0.47 2.62 2.01 -0.92 -4.96 115.64 117.03 2bw3 s THR 281 Ca 0.29 -2.01 0.18 0.00 0.31 0.00 0.00 61.69 60.47 2bw3 s THR 281 Cb 0.20 -3.95 0.36 0.00 0.01 0.00 0.00 72.50 69.12 2bw3 s THR 281 CO 0.47 -0.85 1.97 1.55 -0.69 0.00 0.00 174.62 177.07 2bw3 h PRO 282 N 8.23 0.25 0.00 4.92 0.13 -1.81 0.21 132.00 143.92 2bw3 h PRO 282 Ca -0.15 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2bw3 h PRO 282 Cb 1.06 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2bw3 h PRO 282 CO 0.85 0.17 -0.20 0.93 -0.23 0.00 0.00 178.00 179.52 2bw3 h GLU 283 N 0.26 0.00 0.00 0.86 3.07 -1.93 -3.13 114.58 113.72 2bw3 h GLU 283 Ca 0.29 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.89 2bw3 h GLU 283 Cb 0.78 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.65 2bw3 h GLU 283 CO -0.06 0.20 -2.08 1.28 -1.40 0.00 0.00 179.01 176.94 2bw3 n LEU 284 N -3.52 0.00 -1.47 1.33 4.77 -0.19 -4.28 117.00 113.63 2bw3 n LEU 284 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2bw3 n LEU 284 Cb 0.35 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2bw3 n LEU 284 CO 0.32 0.34 0.15 -3.20 -1.33 0.00 0.00 177.39 173.68 2bw3 n ASN 285 N -2.54 0.84 0.00 -1.43 4.05 0.57 -1.64 115.26 115.12 2bw3 n ASN 285 Ca -0.23 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 53.94 2bw3 n ASN 285 Cb 0.95 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.79 2bw3 n ASN 285 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2bw3 n PRO 287 N 1.42 0.00 -0.05 1.20 -0.04 -1.26 -0.40 135.00 135.88 2bw3 n PRO 287 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2bw3 n PRO 287 Cb 0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.50 2bw3 n PRO 287 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2bw3 h ILE 288 N 0.00 1.25 -0.84 0.52 2.04 -1.67 0.48 117.51 119.30 2bw3 h ILE 288 Ca 0.00 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2bw3 h ILE 288 Cb 0.00 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2bw3 h ILE 288 CO 0.00 0.25 0.55 -0.07 0.00 0.00 0.00 178.15 178.88 2bw3 h LEU 289 N 0.00 0.97 -0.63 1.44 3.38 -0.98 -0.59 115.31 118.89 2bw3 h LEU 289 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bw3 h LEU 289 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2bw3 h LEU 289 CO 0.01 0.70 0.35 0.00 0.09 0.00 0.00 178.44 179.60 2bw3 h ALA 290 N 1.31 0.80 -1.01 1.53 0.00 -1.77 -1.78 119.26 118.35 2bw3 h ALA 290 Ca 0.31 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2bw3 h ALA 290 Cb -0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 2bw3 h ALA 290 CO -0.07 0.31 0.67 0.00 0.00 0.00 0.00 179.25 180.16 2bw3 h LYS 292 N 1.35 0.64 -0.53 0.00 1.57 -0.73 -1.58 116.57 117.31 2bw3 h LYS 292 Ca 0.38 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2bw3 h LYS 292 Cb -0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2bw3 h LYS 292 CO -0.09 0.64 0.12 -0.97 -0.57 0.00 0.00 179.45 178.59 2bw3 h ASN 293 N 0.61 0.75 -0.19 0.86 -0.00 -0.36 0.20 115.58 117.45 2bw3 h ASN 293 Ca 0.13 -0.13 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 2bw3 h ASN 293 Cb 0.35 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2bw3 h ASN 293 CO 0.01 0.74 -0.16 0.40 -0.00 0.00 0.00 177.43 178.42 2bw3 h ILE 294 N 0.78 1.32 -0.59 2.57 2.04 -0.72 -1.43 117.51 121.48 2bw3 h ILE 294 Ca 0.17 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.75 2bw3 h ILE 294 Cb 0.29 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2bw3 h ILE 294 CO -0.00 0.39 0.39 0.58 0.00 0.00 0.00 178.15 179.51 2bw3 h VAL 295 N 0.13 1.14 -1.00 1.67 2.07 -1.07 0.11 116.25 119.30 2bw3 h VAL 295 Ca 0.04 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2bw3 h VAL 295 Cb 0.68 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2bw3 h VAL 295 CO 0.04 0.14 0.64 0.50 0.02 0.00 0.00 177.57 178.92 2bw3 h LYS 296 N 0.78 1.12 -0.12 1.57 3.64 -0.83 0.79 116.57 123.52 2bw3 h LYS 296 Ca 0.22 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 2bw3 h LYS 296 Cb -0.07 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 2bw3 h LYS 296 CO -0.06 0.74 -0.43 -0.92 -2.27 0.00 0.00 179.45 176.52 2bw3 h TYR 297 N 1.15 0.66 0.00 1.91 3.20 -0.31 -1.99 116.97 121.60 2bw3 h TYR 297 Ca 0.44 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2bw3 h TYR 297 Cb 0.20 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2bw3 h TYR 297 CO -0.00 1.03 -0.11 0.74 -1.64 0.00 0.00 178.16 178.18 2bw3 h PHE 298 N 0.11 0.00 -0.02 -3.82 -1.00 -0.21 -0.29 116.94 111.70 2bw3 h PHE 298 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 2bw3 h PHE 298 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 2bw3 h PHE 298 CO 0.11 0.11 -0.11 -0.22 -1.61 0.00 0.00 178.31 176.59 2bw3 h LYS 299 N 0.00 0.11 -0.22 1.51 3.64 -0.77 0.46 116.57 121.29 2bw3 h LYS 299 Ca -0.00 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 2bw3 h LYS 299 Cb 0.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2bw3 h LYS 299 CO 0.01 0.75 0.02 -0.22 -2.27 0.00 0.00 179.45 177.75 2bw3 h LYS 300 N -0.50 0.32 -0.42 1.90 3.64 -0.89 -1.87 116.57 118.75 2bw3 h LYS 300 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2bw3 h LYS 300 Cb 0.77 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2bw3 h LYS 300 CO 0.02 0.33 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 2bw3 n ALA 301 N -2.49 2.44 -2.95 5.00 0.00 -0.16 -4.93 120.51 117.40 2bw3 n ALA 301 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 2bw3 n ALA 301 Cb 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2bw3 n ALA 301 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bw3 n ASN 302 N 0.76 -5.13 -0.90 0.00 4.13 -0.70 -4.87 115.26 108.54 2bw3 n ASN 302 Ca 0.15 -0.21 0.08 0.00 1.68 0.00 0.00 54.58 56.28 2bw3 n ASN 302 Cb 0.37 -4.20 0.25 0.00 -1.54 0.00 0.00 39.78 34.65 2bw3 n ASN 302 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2bw3 n LEU 303 N -3.64 3.83 -0.31 3.41 4.32 0.16 -4.69 117.00 120.07 2bw3 n LEU 303 Ca -0.11 -2.86 0.24 0.00 -0.02 0.00 0.00 56.01 53.26 2bw3 n LEU 303 Cb 0.61 -0.50 0.53 0.00 -1.62 0.00 0.00 43.42 42.44 2bw3 n LEU 303 CO 0.42 0.68 1.23 1.56 -1.22 0.00 0.00 177.39 180.06 2bw3 h GLN 304 N 1.95 0.34 0.00 3.23 7.50 -1.81 0.48 115.11 126.80 2bw3 h GLN 304 Ca 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2bw3 h GLN 304 Cb 1.36 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 2bw3 h GLN 304 CO 0.20 0.23 -0.04 1.12 -1.50 0.00 0.00 178.83 178.83 2bw3 h HIS 305 N 0.35 0.00 0.00 2.96 2.07 -1.91 -1.85 115.15 116.78 2bw3 h HIS 305 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 2bw3 h HIS 305 Cb 1.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.52 2bw3 h HIS 305 CO -0.00 0.04 0.00 0.00 -3.07 0.00 0.00 177.93 174.90 2bw3 h ARG 306 N 0.00 0.00 -0.71 5.12 2.47 -0.39 -3.07 114.38 117.80 2bw3 h ARG 306 Ca -0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2bw3 h ARG 306 Cb 0.35 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.61 2bw3 h ARG 306 CO 0.01 0.00 0.12 1.28 0.56 0.00 0.00 179.97 181.94 2bw3 n LEU 307 N -2.97 5.48 -4.71 3.04 4.77 -0.69 -4.88 117.00 117.04 2bw3 n LEU 307 Ca 0.03 -2.81 -0.42 0.00 -0.03 0.00 0.00 56.01 52.77 2bw3 n LEU 307 Cb 0.41 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2bw3 n LEU 307 CO 0.30 0.67 1.15 0.00 -1.33 0.00 0.00 177.39 178.18 2bw3 s ARG 308 N -2.65 4.27 0.17 3.23 1.70 -1.17 -4.63 118.95 119.88 2bw3 s ARG 308 Ca 0.49 2.16 0.09 0.00 -0.47 0.00 0.00 55.73 58.00 2bw3 s ARG 308 Cb 0.38 -3.35 -0.04 0.00 -0.57 0.00 0.00 34.95 31.38 2bw3 s ARG 308 CO 0.13 -0.55 -0.10 0.45 -1.08 0.00 0.00 175.30 174.15 2bw3 s SER 309 N 1.48 4.23 0.00 -2.89 0.15 -1.26 -4.85 113.70 110.55 2bw3 s SER 309 Ca 0.67 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.01 2bw3 s SER 309 Cb -0.38 -0.71 0.68 0.00 -1.71 0.00 0.00 66.02 63.90 2bw3 s SER 309 CO 0.30 0.11 1.53 -1.20 1.20 0.00 0.00 173.24 175.18 2bw3 n SER 310 N 0.12 0.49 -4.60 5.45 7.64 -1.26 -4.87 113.62 116.58 2bw3 n SER 310 Ca -0.11 -0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.10 2bw3 n SER 310 Cb 0.55 0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2bw3 n SER 310 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2bw3 s LEU 311 N -2.91 3.57 -0.34 -3.43 1.98 -1.26 -4.99 118.68 111.30 2bw3 s LEU 311 Ca 0.14 0.94 -0.07 0.00 -2.89 0.00 0.00 54.13 52.25 2bw3 s LEU 311 Cb 0.18 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.53 2bw3 s LEU 311 CO 0.64 -1.50 0.12 -0.75 -1.89 0.00 0.00 176.35 172.97 2bw3 s LYS 312 N 5.11 2.69 0.53 1.98 2.20 -1.26 -5.01 119.74 125.97 2bw3 s LYS 312 Ca 0.66 -1.14 -0.19 0.00 -0.36 0.00 0.00 55.97 54.94 2bw3 s LYS 312 Cb -0.16 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 2bw3 s LYS 312 CO 0.33 -0.65 1.09 0.45 -0.36 0.00 0.00 175.35 176.21 2bw3 s SER 313 N 1.43 5.92 0.26 1.43 0.15 -1.26 -4.95 113.70 116.68 2bw3 s SER 313 Ca -0.01 2.06 0.07 0.00 0.70 0.00 0.00 55.95 58.77 2bw3 s SER 313 Cb -0.19 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 61.87 2bw3 s SER 313 CO 0.03 -1.08 1.60 -0.33 1.20 0.00 0.00 173.24 174.66 2bw3 h GLU 314 N 1.23 0.14 -6.74 5.44 4.39 -1.98 -3.44 114.58 113.62 2bw3 h GLU 314 Ca -0.49 -0.09 -0.52 0.00 0.34 0.00 0.00 59.36 58.60 2bw3 h GLU 314 Cb 1.24 0.01 0.03 0.00 -0.10 0.00 0.00 28.75 29.94 2bw3 h GLU 314 CO 0.58 0.69 0.57 0.00 -1.16 0.00 0.00 179.01 179.69 2bw3 n PRO 316 N 1.94 1.42 -0.27 0.00 -0.02 -1.26 -4.75 135.00 132.07 2bw3 n PRO 316 Ca 0.03 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2bw3 n PRO 316 Cb 0.44 -2.01 0.14 0.00 -0.02 0.00 0.00 33.50 32.05 2bw3 n PRO 316 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2bw3 h THR 317 N 2.60 0.28 0.00 3.45 2.02 -1.92 0.66 112.91 120.00 2bw3 h THR 317 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2bw3 h THR 317 Cb 1.33 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2bw3 h THR 317 CO 0.69 0.01 0.08 0.08 0.37 0.00 0.00 175.52 176.75 2bw3 h ARG 318 N 0.06 0.00 -0.02 6.66 0.11 -2.00 -2.63 114.38 116.56 2bw3 h ARG 318 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 2bw3 h ARG 318 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2bw3 h ARG 318 CO -0.73 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.25 2bw3 n TRP 319 N -2.40 0.01 -2.43 4.08 8.01 0.21 -4.72 117.44 120.20 2bw3 n TRP 319 Ca -0.02 -0.01 -0.14 0.00 -1.31 0.00 0.00 57.50 56.02 2bw3 n TRP 319 Cb 0.11 -0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.44 2bw3 n TRP 319 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2bw3 n ASN 320 N 0.49 3.34 -0.32 -0.99 2.04 -0.99 -4.84 115.26 113.99 2bw3 n ASN 320 Ca 0.05 -3.00 0.09 0.00 -0.44 0.00 0.00 54.58 51.28 2bw3 n ASN 320 Cb 0.22 -0.42 0.25 0.00 -2.53 0.00 0.00 39.78 37.31 2bw3 n ASN 320 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2bw3 h SER 321 N 2.44 0.66 0.54 0.53 0.02 -1.85 -2.22 113.55 113.68 2bw3 h SER 321 Ca 0.13 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2bw3 h SER 321 Cb 1.35 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.87 2bw3 h SER 321 CO 0.52 0.28 -0.26 0.74 -1.14 0.00 0.00 176.83 176.97 2bw3 h THR 322 N 0.72 0.41 -0.48 -2.27 2.02 -1.96 -3.29 112.91 108.07 2bw3 h THR 322 Ca 0.50 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.49 2bw3 h THR 322 Cb 0.70 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2bw3 h THR 322 CO -0.35 0.04 0.21 0.22 0.37 0.00 0.00 175.52 176.00 2bw3 h TYR 323 N -0.89 0.38 0.00 3.16 3.20 -1.88 -1.63 116.97 119.31 2bw3 h TYR 323 Ca -0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2bw3 h TYR 323 Cb 0.62 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2bw3 h TYR 323 CO -0.01 0.17 0.00 0.25 -1.64 0.00 0.00 178.16 176.93 2bw3 n THR 324 N -4.94 0.05 0.00 1.81 -2.24 -0.86 -2.28 114.28 105.82 2bw3 n THR 324 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2bw3 n THR 324 Cb 0.15 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 2bw3 n THR 324 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bw3 n LEU 326 N 0.66 0.00 0.07 3.22 4.77 -0.62 -1.32 117.00 123.79 2bw3 n LEU 326 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2bw3 n LEU 326 Cb 0.04 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.33 2bw3 n LEU 326 CO 0.00 0.00 0.64 0.03 -1.33 0.00 0.00 177.39 176.73 2bw3 h ARG 327 N 0.00 0.31 -0.00 3.23 2.47 -1.72 -1.07 114.38 117.60 2bw3 h ARG 327 Ca 0.00 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 2bw3 h ARG 327 Cb 0.00 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2bw3 h ARG 327 CO 0.00 0.67 -0.15 0.77 0.56 0.00 0.00 179.97 181.81 2bw3 h SER 328 N 0.26 -0.44 0.09 7.04 0.02 -1.46 -0.28 113.55 118.78 2bw3 h SER 328 Ca 0.02 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2bw3 h SER 328 Cb 0.82 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2bw3 h SER 328 CO 0.07 -0.21 -0.05 0.40 -1.14 0.00 0.00 176.83 175.90 2bw3 h ILE 329 N -0.25 1.09 -0.71 3.27 1.08 -1.83 -3.04 117.51 117.12 2bw3 h ILE 329 Ca 0.05 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 2bw3 h ILE 329 Cb 0.32 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 2bw3 h ILE 329 CO -0.15 0.17 0.47 0.25 -0.69 0.00 0.00 178.15 178.20 2bw3 h LEU 330 N -0.45 0.82 -1.24 1.44 5.85 -1.13 0.11 115.31 120.71 2bw3 h LEU 330 Ca -0.01 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2bw3 h LEU 330 Cb 0.38 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2bw3 h LEU 330 CO 0.02 0.60 -0.35 0.44 -0.34 0.00 0.00 178.44 178.81 2bw3 h ASP 331 N 0.97 0.00 -0.38 1.25 3.45 -1.14 -3.00 116.42 117.57 2bw3 h ASP 331 Ca 0.26 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.52 2bw3 h ASP 331 Cb -0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.54 2bw3 h ASP 331 CO -0.06 0.35 -0.05 0.59 -1.57 0.00 0.00 179.24 178.50 2bw3 n ASN 332 N -3.82 2.53 0.03 6.45 3.02 -1.04 -4.87 115.26 117.56 2bw3 n ASN 332 Ca -0.01 -3.78 -0.06 0.00 -0.03 0.00 0.00 54.58 50.71 2bw3 n ASN 332 Cb 0.42 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 2bw3 n ASN 332 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 2bw3 h TRP 333 N 1.01 -0.54 -1.00 3.10 2.91 -0.83 0.18 115.95 120.79 2bw3 h TRP 333 Ca 0.24 0.02 0.19 0.00 1.13 0.00 0.00 58.89 60.47 2bw3 h TRP 333 Cb 1.72 0.24 -0.10 0.00 -0.51 0.00 0.00 29.16 30.51 2bw3 h TRP 333 CO 1.07 -0.20 0.61 1.49 -1.03 0.00 0.00 178.44 180.38 2bw3 h GLU 334 N -0.24 0.73 -0.41 2.65 4.57 -1.88 0.16 114.58 120.16 2bw3 h GLU 334 Ca 0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2bw3 h GLU 334 Cb 0.26 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2bw3 h GLU 334 CO -0.12 0.48 0.02 0.77 -1.18 0.00 0.00 179.01 178.99 2bw3 h SER 335 N 0.75 0.68 0.06 1.04 0.02 -1.84 -2.82 113.55 111.43 2bw3 h SER 335 Ca 0.56 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2bw3 h SER 335 Cb 0.90 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2bw3 h SER 335 CO -0.35 0.80 -0.05 0.58 -1.14 0.00 0.00 176.83 176.68 2bw3 h VAL 336 N 0.54 0.89 -0.70 2.27 2.07 0.22 -1.39 116.25 120.15 2bw3 h VAL 336 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2bw3 h VAL 336 Cb 0.44 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2bw3 h VAL 336 CO 0.02 0.00 0.45 0.16 0.02 0.00 0.00 177.57 178.22 2bw3 h ILE 337 N -0.11 1.19 -0.22 4.57 3.07 -1.21 -1.59 117.51 123.21 2bw3 h ILE 337 Ca -0.00 -0.36 -0.03 0.00 1.55 0.00 0.00 64.86 66.02 2bw3 h ILE 337 Cb 0.10 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.81 2bw3 h ILE 337 CO -0.01 0.18 0.03 -0.61 -1.05 0.00 0.00 178.15 176.69 2bw3 h GLN 338 N 0.95 0.37 -0.26 0.16 4.15 -1.23 -1.54 115.11 117.72 2bw3 h GLN 338 Ca 0.26 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.58 2bw3 h GLN 338 Cb -0.09 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2bw3 h GLN 338 CO -0.05 0.53 0.13 0.82 -1.93 0.00 0.00 178.83 178.33 2bw3 h ILE 339 N 0.16 1.00 -0.74 2.39 1.08 -0.80 -1.74 117.51 118.86 2bw3 h ILE 339 Ca 0.07 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2bw3 h ILE 339 Cb 0.35 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 2bw3 h ILE 339 CO 0.01 0.05 0.33 -0.07 -0.69 0.00 0.00 178.15 177.77 2bw3 h LEU 340 N 0.28 0.97 0.31 1.44 3.38 -1.23 -2.45 115.31 118.02 2bw3 h LEU 340 Ca 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2bw3 h LEU 340 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2bw3 h LEU 340 CO -0.07 0.84 -0.15 0.28 0.09 0.00 0.00 178.44 179.44 2bw3 h SER 341 N 1.05 -0.35 0.29 -0.43 0.02 -0.87 0.15 113.55 113.41 2bw3 h SER 341 Ca 0.25 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2bw3 h SER 341 Cb 0.15 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2bw3 h SER 341 CO -0.03 -0.04 0.00 -1.84 -1.14 0.00 0.00 176.83 173.78 2bw3 n GLU 342 N -5.16 0.00 -0.02 3.45 0.28 -0.69 -1.01 120.64 117.49 2bw3 n GLU 342 Ca -0.10 0.35 0.08 0.00 -0.16 0.00 0.00 57.16 57.33 2bw3 n GLU 342 Cb 0.25 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.70 2bw3 n GLU 342 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bw3 n ALA 343 N -1.50 2.46 -3.31 -1.84 0.00 -0.93 -4.99 120.51 110.40 2bw3 n ALA 343 Ca 0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 2bw3 n ALA 343 Cb 0.10 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.07 2bw3 n ALA 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bw3 n GLY 344 N 0.88 -0.51 2.07 0.00 0.00 -0.18 -4.92 105.19 102.53 2bw3 n GLY 344 Ca 0.10 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 2bw3 n GLY 344 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bw3 n GLU 345 N -4.50 3.53 0.27 1.61 -0.58 0.44 -4.82 120.64 116.60 2bw3 n GLU 345 Ca -0.05 -4.11 0.15 0.00 -0.42 0.00 0.00 57.16 52.73 2bw3 n GLU 345 Cb 0.59 -2.28 0.72 0.00 -0.57 0.00 0.00 31.44 29.90 2bw3 n GLU 345 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2bw3 h THR 346 N 2.10 0.35 0.00 2.62 1.35 -1.91 -2.61 112.91 114.81 2bw3 h THR 346 Ca 0.39 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2bw3 h THR 346 Cb 1.44 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2bw3 h THR 346 CO 0.84 0.10 0.00 1.67 -0.25 0.00 0.00 175.52 177.87 2bw3 n GLN 347 N -3.37 0.08 0.19 4.72 7.27 -1.26 -1.97 117.38 123.03 2bw3 n GLN 347 Ca -0.01 0.44 0.13 0.00 0.07 0.00 0.00 57.00 57.62 2bw3 n GLN 347 Cb 0.28 -1.69 0.27 0.00 2.41 0.00 0.00 30.24 31.51 2bw3 n GLN 347 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bw3 h ARG 348 N 0.00 0.00 0.00 3.69 3.08 -1.86 -3.21 114.38 116.08 2bw3 h ARG 348 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bw3 h ARG 348 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2bw3 h ARG 348 CO 0.00 0.00 -1.08 1.51 -1.07 0.00 0.00 179.97 179.33 2bw3 n ILE 349 N -2.87 0.14 -1.62 2.04 3.06 -0.83 -4.70 119.36 114.58 2bw3 n ILE 349 Ca 0.04 -0.23 -0.48 0.00 -2.50 0.00 0.00 62.75 59.58 2bw3 n ILE 349 Cb 0.49 0.28 -0.04 0.00 0.54 0.00 0.00 39.64 40.90 2bw3 n ILE 349 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2bw3 n VAL 350 N -1.92 0.53 0.00 9.51 0.31 -1.22 -1.82 118.33 123.72 2bw3 n VAL 350 Ca 0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2bw3 n VAL 350 Cb 0.43 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2bw3 n VAL 350 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2bw3 n HIS 351 N 2.16 0.00 -2.54 3.52 8.25 -1.26 -4.91 115.22 120.45 2bw3 n HIS 351 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 2bw3 n HIS 351 Cb 0.25 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 2bw3 n HIS 351 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2bw3 s ILE 352 N -2.38 4.44 -0.31 1.59 1.01 -0.75 -4.62 121.20 120.17 2bw3 s ILE 352 Ca 0.00 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 2bw3 s ILE 352 Cb 0.00 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.41 2bw3 s ILE 352 CO 0.00 -0.00 0.01 0.21 0.00 0.00 0.00 174.94 175.16 2bw3 s ASN 353 N 1.35 4.89 0.25 3.58 3.84 -1.26 -5.02 114.94 122.57 2bw3 s ASN 353 Ca 0.53 -1.39 -0.04 0.00 0.21 0.00 0.00 52.86 52.17 2bw3 s ASN 353 Cb -0.22 -1.71 0.48 0.00 -0.55 0.00 0.00 41.25 39.24 2bw3 s ASN 353 CO 0.20 -0.29 1.71 0.50 -2.79 0.00 0.00 177.10 176.43 2bw3 h LYS 354 N 7.97 0.36 -0.29 0.43 3.64 -1.99 -0.76 116.57 125.93 2bw3 h LYS 354 Ca -0.19 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2bw3 h LYS 354 Cb 1.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2bw3 h LYS 354 CO 0.54 0.24 0.03 0.66 -2.27 0.00 0.00 179.45 178.65 2bw3 h SER 355 N 0.37 0.39 -0.33 4.20 4.64 -1.99 0.27 113.55 121.12 2bw3 h SER 355 Ca 0.42 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 2bw3 h SER 355 Cb 0.69 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2bw3 h SER 355 CO -0.45 0.44 -0.18 0.40 -0.87 0.00 0.00 176.83 176.17 2bw3 h ILE 356 N 0.42 1.29 -0.40 0.95 1.08 -1.60 -1.02 117.51 118.23 2bw3 h ILE 356 Ca 0.10 -1.30 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2bw3 h ILE 356 Cb 0.23 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 2bw3 h ILE 356 CO 0.00 0.42 0.24 0.40 -0.69 0.00 0.00 178.15 178.52 2bw3 h ILE 357 N 0.46 1.13 -0.85 -0.67 1.08 -0.89 -2.60 117.51 115.18 2bw3 h ILE 357 Ca 0.07 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2bw3 h ILE 357 Cb 0.72 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 2bw3 h ILE 357 CO 0.05 0.13 0.52 -0.61 -0.69 0.00 0.00 178.15 177.56 2bw3 h GLN 358 N 0.53 1.14 -1.54 2.37 5.75 -0.80 -0.62 115.11 121.93 2bw3 h GLN 358 Ca 0.14 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2bw3 h GLN 358 Cb 0.01 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.31 2bw3 h GLN 358 CO -0.03 0.79 0.00 2.41 -2.65 0.00 0.00 178.83 179.35 2bw3 n THR 359 N -4.45 0.18 0.00 2.39 -1.04 -0.40 -1.20 114.28 109.76 2bw3 n THR 359 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2bw3 n THR 359 Cb 0.05 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2bw3 n THR 359 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2bw3 n VAL 361 N 0.81 0.00 -0.00 12.58 0.24 -0.24 -1.03 118.33 130.69 2bw3 n VAL 361 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2bw3 n VAL 361 Cb 0.10 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.40 2bw3 n VAL 361 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2bw3 h ASN 362 N 0.00 0.08 -0.20 -1.34 -0.26 -1.42 -0.03 115.58 112.41 2bw3 h ASN 362 Ca 0.00 -0.22 0.01 0.00 -0.56 0.00 0.00 56.30 55.53 2bw3 h ASN 362 Cb 0.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 2bw3 h ASN 362 CO 0.00 0.28 0.11 0.40 -1.06 0.00 0.00 177.43 177.15 2bw3 h ILE 363 N -0.12 1.01 -0.70 2.81 2.04 -1.35 -2.44 117.51 118.76 2bw3 h ILE 363 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2bw3 h ILE 363 Cb 0.23 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2bw3 h ILE 363 CO -0.00 0.04 0.45 -0.07 0.00 0.00 0.00 178.15 178.58 2bw3 h LEU 364 N 0.23 0.81 -1.82 1.44 3.38 -1.79 -0.97 115.31 116.59 2bw3 h LEU 364 Ca 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2bw3 h LEU 364 Cb 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2bw3 h LEU 364 CO -0.05 0.59 -0.11 -0.78 0.09 0.00 0.00 178.44 178.19 2bw3 h ASP 365 N 0.95 0.00 0.58 -0.43 3.58 -0.53 -1.31 116.42 119.26 2bw3 h ASP 365 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2bw3 h ASP 365 Cb -0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2bw3 h ASP 365 CO -0.05 0.11 0.00 1.23 -2.88 0.00 0.00 179.24 177.65 2bw3 h GLY 366 N 0.35 0.00 0.60 -0.78 0.00 -0.88 -2.41 103.07 99.96 2bw3 h GLY 366 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bw3 h GLY 366 CO 0.01 0.00 -0.74 0.69 0.00 0.00 0.00 176.54 176.51 2bw3 n PHE 367 N -2.51 0.03 -0.37 5.60 0.99 -0.50 -4.27 117.46 116.43 2bw3 n PHE 367 Ca 0.01 0.01 0.04 0.00 -0.00 0.00 0.00 57.45 57.51 2bw3 n PHE 367 Cb 0.19 -0.18 0.20 0.00 -1.00 0.00 0.00 39.48 38.69 2bw3 n PHE 367 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2bw3 h GLU 368 N 0.00 1.08 -0.25 -1.08 4.39 -1.43 -1.21 114.58 116.07 2bw3 h GLU 368 Ca 0.00 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 2bw3 h GLU 368 Cb 0.53 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2bw3 h GLU 368 CO 0.00 0.71 -0.21 -0.09 -1.16 0.00 0.00 179.01 178.26 2bw3 h ARG 369 N 1.11 0.46 -0.09 2.33 9.65 -1.76 -1.20 114.38 124.88 2bw3 h ARG 369 Ca 0.46 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 2bw3 h ARG 369 Cb 0.29 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2bw3 h ARG 369 CO -0.21 0.65 0.00 0.82 2.80 0.00 0.00 179.97 184.03 2bw3 h ILE 370 N 0.42 1.25 -0.57 1.20 2.04 -1.48 -0.37 117.51 119.99 2bw3 h ILE 370 Ca 0.07 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2bw3 h ILE 370 Cb 0.60 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2bw3 h ILE 370 CO 0.04 0.22 0.32 -0.26 0.00 0.00 0.00 178.15 178.47 2bw3 h PHE 371 N -0.13 0.58 -0.32 1.37 -1.00 -1.13 -0.48 116.94 115.84 2bw3 h PHE 371 Ca 0.02 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.83 2bw3 h PHE 371 Cb 0.34 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 2bw3 h PHE 371 CO 0.03 0.30 0.21 -0.22 -1.61 0.00 0.00 178.31 177.02 2bw3 h LYS 372 N 0.61 0.41 -0.28 1.51 3.64 -1.09 -2.26 116.57 119.11 2bw3 h LYS 372 Ca 0.25 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2bw3 h LYS 372 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2bw3 h LYS 372 CO -0.14 0.27 -0.15 0.93 -2.27 0.00 0.00 179.45 178.09 2bw3 h GLU 373 N 0.43 0.48 0.00 1.90 4.39 -0.59 -2.80 114.58 118.38 2bw3 h GLU 373 Ca 0.12 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2bw3 h GLU 373 Cb -0.04 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2bw3 h GLU 373 CO -0.03 0.62 0.00 -0.07 -1.16 0.00 0.00 179.01 178.37 2bw3 h LEU 374 N 0.44 0.00 -2.34 1.33 3.38 -0.90 -3.30 115.31 113.92 2bw3 h LEU 374 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bw3 h LEU 374 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2bw3 h LEU 374 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 2bw3 n GLN 375 N -2.35 2.51 -2.06 1.13 6.02 -0.87 -3.19 117.38 118.56 2bw3 n GLN 375 Ca 0.05 -2.29 -0.33 0.00 -0.01 0.00 0.00 57.00 54.42 2bw3 n GLN 375 Cb 0.42 -1.51 0.01 0.00 1.02 0.00 0.00 30.24 30.18 2bw3 n GLN 375 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2bw3 s THR 376 N -1.48 3.60 -0.01 5.09 -1.32 -1.22 -4.43 115.64 115.87 2bw3 s THR 376 Ca 0.38 0.81 0.01 0.00 -1.21 0.00 0.00 61.69 61.68 2bw3 s THR 376 Cb 0.23 -3.31 0.02 0.00 -1.51 0.00 0.00 72.50 67.92 2bw3 s THR 376 CO 0.32 -0.40 0.98 0.00 -2.21 0.00 0.00 174.62 173.31 2bw3 n SER 378 N -0.08 0.72 -3.82 0.00 3.41 -1.26 -4.69 113.62 107.90 2bw3 n SER 378 Ca 0.01 -0.86 -0.11 0.00 -0.26 0.00 0.00 58.87 57.65 2bw3 n SER 378 Cb 0.69 0.99 -0.08 0.00 -0.26 0.00 0.00 64.21 65.55 2bw3 n SER 378 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bw3 s SER 379 N -2.39 -0.01 0.34 4.04 1.04 -1.26 -4.75 113.70 110.72 2bw3 s SER 379 Ca 0.06 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 2bw3 s SER 379 Cb 0.11 0.32 -0.12 0.00 0.10 0.00 0.00 66.02 66.43 2bw3 s SER 379 CO 0.60 -0.59 1.45 -2.65 0.98 0.00 0.00 173.24 173.03 2bw3 n PRO 380 N 0.59 2.49 0.00 4.02 -0.02 -1.26 -4.84 135.00 135.98 2bw3 n PRO 380 Ca -0.18 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2bw3 n PRO 380 Cb 0.59 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2bw3 n PRO 380 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bw3 n SER 381 N 0.99 3.85 0.01 2.55 3.41 -1.26 -4.79 113.62 118.38 2bw3 n SER 381 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.69 2bw3 n SER 381 Cb 0.37 0.60 0.41 0.00 -0.26 0.00 0.00 64.21 65.32 2bw3 n SER 381 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2bw3 h LEU 382 N 0.00 0.46 -0.22 1.04 5.85 -1.83 0.31 115.31 120.93 2bw3 h LEU 382 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2bw3 h LEU 382 Cb 0.35 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2bw3 h LEU 382 CO 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 2bw3 n PHE 384 N -1.76 0.61 -0.01 0.00 0.99 0.10 -4.30 117.46 113.08 2bw3 n PHE 384 Ca 0.03 -0.33 -0.13 0.00 -0.00 0.00 0.00 57.45 57.02 2bw3 n PHE 384 Cb 0.21 -0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.59 2bw3 n PHE 384 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2bw3 h VAL 385 N 4.13 1.33 -0.16 -4.37 2.07 -1.55 -0.07 116.25 117.62 2bw3 h VAL 385 Ca 0.00 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2bw3 h VAL 385 Cb 0.95 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2bw3 h VAL 385 CO 0.00 0.26 0.07 0.58 0.02 0.00 0.00 177.57 178.50 2bw3 h VAL 386 N -0.34 0.98 0.00 2.57 2.07 -1.80 -1.35 116.25 118.38 2bw3 h VAL 386 Ca 0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2bw3 h VAL 386 Cb 0.43 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2bw3 h VAL 386 CO 0.00 0.03 -0.03 -0.65 0.02 0.00 0.00 177.57 176.95 2bw3 h PRO 387 N 0.15 0.00 -0.42 1.57 0.11 -1.78 -1.54 132.00 130.10 2bw3 h PRO 387 Ca 0.07 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 2bw3 h PRO 387 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2bw3 h PRO 387 CO -0.06 0.03 -0.27 0.77 -0.21 0.00 0.00 178.00 178.26 2bw3 h SER 388 N 0.00 0.92 -0.63 -2.05 0.02 0.05 0.42 113.55 112.27 2bw3 h SER 388 Ca -0.00 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 2bw3 h SER 388 Cb 0.05 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2bw3 h SER 388 CO 0.00 1.13 0.17 0.40 -1.14 0.00 0.00 176.83 177.39 2bw3 h ILE 389 N 0.76 1.25 -0.59 3.27 2.04 -0.37 -0.57 117.51 123.30 2bw3 h ILE 389 Ca 0.09 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 2bw3 h ILE 389 Cb 0.83 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2bw3 h ILE 389 CO 0.07 0.34 0.07 -0.07 0.00 0.00 0.00 178.15 178.55 2bw3 h LEU 390 N 0.91 0.94 -0.67 1.44 3.38 -1.09 -2.45 115.31 117.77 2bw3 h LEU 390 Ca 0.20 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2bw3 h LEU 390 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2bw3 h LEU 390 CO -0.00 0.95 0.24 0.50 0.09 0.00 0.00 178.44 180.22 2bw3 h LYS 391 N 0.91 1.03 -0.54 1.13 1.63 -0.41 -1.16 116.57 119.17 2bw3 h LYS 391 Ca 0.18 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2bw3 h LYS 391 Cb 0.44 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 2bw3 h LYS 391 CO 0.01 0.87 0.34 0.28 -3.45 0.00 0.00 179.45 177.51 2bw3 h VAL 392 N 0.97 1.15 -0.40 2.00 2.07 -0.87 -0.09 116.25 121.08 2bw3 h VAL 392 Ca 0.22 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2bw3 h VAL 392 Cb 0.25 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2bw3 h VAL 392 CO -0.01 0.15 0.01 0.11 0.02 0.00 0.00 177.57 177.85 2bw3 h LYS 393 N 0.73 0.63 -0.23 1.57 1.57 -1.14 -1.14 116.57 118.56 2bw3 h LYS 393 Ca 0.19 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2bw3 h LYS 393 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2bw3 h LYS 393 CO -0.04 0.64 -0.08 1.49 -0.57 0.00 0.00 179.45 180.89 2bw3 h GLU 394 N 0.60 0.46 -0.67 3.15 4.81 -0.59 -2.02 114.58 120.32 2bw3 h GLU 394 Ca 0.12 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2bw3 h GLU 394 Cb 0.37 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2bw3 h GLU 394 CO 0.01 0.72 0.39 0.82 -0.73 0.00 0.00 179.01 180.22 2bw3 h ILE 395 N 0.19 1.19 -0.45 2.32 2.04 -0.81 -1.89 117.51 120.10 2bw3 h ILE 395 Ca 0.06 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2bw3 h ILE 395 Cb 0.56 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2bw3 h ILE 395 CO 0.03 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2bw3 s SER 397 N -0.68 6.27 0.23 0.00 1.04 -0.72 -4.73 113.70 115.12 2bw3 s SER 397 Ca 0.38 2.63 -0.30 0.00 0.48 0.00 0.00 55.95 59.14 2bw3 s SER 397 Cb 0.27 -2.64 -0.15 0.00 0.10 0.00 0.00 66.02 63.60 2bw3 s SER 397 CO 0.15 -0.88 0.99 -2.65 0.98 0.00 0.00 173.24 171.83 2bw3 n PRO 398 N 0.05 1.07 -3.66 4.02 -0.02 -1.26 -4.99 135.00 130.21 2bw3 n PRO 398 Ca 0.04 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 2bw3 n PRO 398 Cb 0.44 -1.74 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 2bw3 n PRO 398 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2bw3 s ASP 399 N -0.43 0.90 0.65 2.55 3.68 -1.26 -5.02 116.67 117.73 2bw3 s ASP 399 Ca 0.65 0.24 0.41 0.00 2.13 0.00 0.00 52.55 55.97 2bw3 s ASP 399 Cb -0.79 0.17 2.26 0.00 -1.45 0.00 0.00 42.92 43.11 2bw3 s ASP 399 CO 0.57 -0.25 2.34 -0.37 0.13 0.00 0.00 175.17 177.58 2bw3 h VAL 400 N 6.38 0.14 0.00 1.11 -1.51 -2.02 -1.21 116.25 119.13 2bw3 h VAL 400 Ca -0.13 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2bw3 h VAL 400 Cb 1.12 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2bw3 h VAL 400 CO 0.15 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.10 2bw3 n GLY 401 N -1.11 -1.06 3.77 5.19 0.00 -1.26 -4.86 105.19 105.85 2bw3 n GLY 401 Ca -0.03 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2bw3 n GLY 401 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bw3 s ASP 402 N -2.22 7.49 0.60 1.61 1.01 -0.46 -5.04 116.67 119.67 2bw3 s ASP 402 Ca 0.39 1.87 -0.16 0.00 0.71 0.00 0.00 52.55 55.36 2bw3 s ASP 402 Cb 0.20 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 2bw3 s ASP 402 CO 0.39 0.06 1.08 0.68 0.21 0.00 0.00 175.17 177.59 2bw3 s VAL 403 N -1.37 3.58 0.34 -1.27 -7.23 -1.26 -4.77 120.40 108.41 2bw3 s VAL 403 Ca 0.45 0.78 0.07 0.00 -1.81 0.00 0.00 61.98 61.47 2bw3 s VAL 403 Cb -0.22 -3.29 0.31 0.00 0.56 0.00 0.00 36.38 33.74 2bw3 s VAL 403 CO 0.28 -0.41 1.86 0.00 -0.31 0.00 0.00 175.10 176.51 2bw3 h ALA 404 N 0.45 1.76 -0.55 1.32 0.00 -1.98 -1.78 119.26 118.48 2bw3 h ALA 404 Ca -0.47 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bw3 h ALA 404 Cb 1.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2bw3 h ALA 404 CO 0.56 -0.01 0.33 -0.44 0.00 0.00 0.00 179.25 179.70 2bw3 h ASP 405 N 0.76 0.65 0.03 0.00 3.32 -1.98 -1.73 116.42 117.46 2bw3 h ASP 405 Ca 0.47 -0.03 -0.27 0.00 0.02 0.00 0.00 57.03 57.21 2bw3 h ASP 405 Cb 0.68 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.09 2bw3 h ASP 405 CO -0.23 0.50 -1.08 0.40 -1.72 0.00 0.00 179.24 177.11 2bw3 h ILE 406 N 0.75 1.28 -0.87 0.35 1.08 -1.76 -2.50 117.51 115.85 2bw3 h ILE 406 Ca 0.20 -2.28 -0.02 0.00 -0.39 0.00 0.00 64.86 62.37 2bw3 h ILE 406 Cb -0.03 2.45 -0.04 0.00 -3.07 0.00 0.00 36.82 36.12 2bw3 h ILE 406 CO -0.04 0.70 0.48 0.00 -0.69 0.00 0.00 178.15 178.60 2bw3 h ALA 407 N 0.37 1.20 -0.39 1.87 0.00 -1.07 -0.81 119.26 120.45 2bw3 h ALA 407 Ca -0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2bw3 h ALA 407 Cb 1.74 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2bw3 h ALA 407 CO 0.21 0.64 -0.05 0.87 0.00 0.00 0.00 179.25 180.92 2bw3 h LYS 408 N 1.22 0.72 -0.27 0.00 1.57 -1.35 -2.13 116.57 116.33 2bw3 h LYS 408 Ca 0.31 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2bw3 h LYS 408 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2bw3 h LYS 408 CO -0.05 0.84 0.07 1.25 -0.57 0.00 0.00 179.45 180.98 2bw3 h LEU 409 N 0.53 0.04 -0.94 2.94 5.85 -0.97 -0.38 115.31 122.38 2bw3 h LEU 409 Ca 0.10 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2bw3 h LEU 409 Cb 0.55 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2bw3 h LEU 409 CO 0.03 0.06 0.61 0.11 -0.34 0.00 0.00 178.44 178.91 2bw3 h LYS 410 N 0.17 1.14 -0.33 1.25 1.57 -1.02 0.12 116.57 119.47 2bw3 h LYS 410 Ca 0.12 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2bw3 h LYS 410 Cb 0.11 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2bw3 h LYS 410 CO -0.15 0.75 -0.19 0.28 -0.57 0.00 0.00 179.45 179.57 2bw3 h VAL 411 N 1.17 1.26 -0.37 0.50 2.07 -1.00 -1.97 116.25 117.91 2bw3 h VAL 411 Ca 0.38 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 2bw3 h VAL 411 Cb 0.04 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2bw3 h VAL 411 CO -0.13 0.40 -0.33 0.78 0.02 0.00 0.00 177.57 178.32 2bw3 h ASN 412 N 0.55 0.93 -0.41 0.57 -0.26 0.01 -1.20 115.58 115.77 2bw3 h ASN 412 Ca 0.09 -0.45 -0.01 0.00 -0.56 0.00 0.00 56.30 55.37 2bw3 h ASN 412 Cb 0.64 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 2bw3 h ASN 412 CO 0.05 1.19 0.23 0.40 -1.06 0.00 0.00 177.43 178.24 2bw3 h ILE 413 N 0.69 1.15 -0.75 2.81 2.04 -0.60 -0.09 117.51 122.76 2bw3 h ILE 413 Ca 0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2bw3 h ILE 413 Cb 0.91 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2bw3 h ILE 413 CO 0.08 0.15 0.43 0.40 0.00 0.00 0.00 178.15 179.21 2bw3 h ILE 414 N 0.53 1.22 -0.60 -0.67 2.04 -1.24 0.19 117.51 118.98 2bw3 h ILE 414 Ca 0.14 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2bw3 h ILE 414 Cb 0.04 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2bw3 h ILE 414 CO -0.02 0.24 0.29 0.50 0.00 0.00 0.00 178.15 179.15 2bw3 h LYS 415 N 1.02 0.86 0.00 2.37 3.64 -0.64 -2.66 116.57 121.17 2bw3 h LYS 415 Ca 0.26 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2bw3 h LYS 415 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2bw3 h LYS 415 CO -0.05 0.69 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.54 2bw3 h ASN 416 N 0.82 0.00 -0.87 4.20 -0.26 -0.23 -2.10 115.58 117.13 2bw3 h ASN 416 Ca 0.21 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 2bw3 h ASN 416 Cb 0.12 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 2bw3 h ASN 416 CO -0.03 0.38 0.51 0.58 -1.06 0.00 0.00 177.43 177.81 2bw3 h VAL 417 N 0.00 1.25 0.11 2.81 2.07 -0.29 0.15 116.25 122.35 2bw3 h VAL 417 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2bw3 h VAL 417 Cb 0.87 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2bw3 h VAL 417 CO 0.05 0.27 -0.05 -0.09 0.02 0.00 0.00 177.57 177.76 2bw3 h ARG 418 N 1.21 -0.15 0.00 1.57 9.65 -1.41 1.00 114.38 126.25 2bw3 h ARG 418 Ca 0.31 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.14 2bw3 h ARG 418 Cb -0.02 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2bw3 h ARG 418 CO -0.06 0.35 -0.32 -0.84 2.80 0.00 0.00 179.97 181.91 2bw3 h ILE 419 N -0.83 0.69 0.00 1.20 3.07 -1.28 -1.69 117.51 118.67 2bw3 h ILE 419 Ca -0.02 -1.45 -0.19 0.00 1.55 0.00 0.00 64.86 64.75 2bw3 h ILE 419 Cb 0.56 1.95 -0.03 0.00 -0.27 0.00 0.00 36.82 39.03 2bw3 h ILE 419 CO 0.03 0.31 -1.53 -0.38 -1.05 0.00 0.00 178.15 175.52 2bw3 n ILE 420 N -3.39 1.30 0.05 0.16 5.41 0.51 -4.46 119.36 118.94 2bw3 n ILE 420 Ca 0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.66 2bw3 n ILE 420 Cb 0.52 -1.97 -0.02 0.00 -0.71 0.00 0.00 39.64 37.46 2bw3 n ILE 420 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 2bw3 h TRP 421 N -0.77 -0.19 -0.74 1.39 2.91 -1.39 -3.14 115.95 114.02 2bw3 h TRP 421 Ca -0.29 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.76 2bw3 h TRP 421 Cb 1.15 0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.81 2bw3 h TRP 421 CO -0.19 -0.12 0.45 0.93 -1.03 0.00 0.00 178.44 178.48 2bw3 h GLU 422 N -0.90 0.84 -0.07 2.65 5.08 -0.84 0.13 114.58 121.46 2bw3 h GLU 422 Ca -0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2bw3 h GLU 422 Cb 0.16 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2bw3 h GLU 422 CO 0.03 0.56 0.08 0.93 -1.00 0.00 0.00 179.01 179.61 2bw3 h GLU 423 N 0.87 0.00 -0.61 2.33 4.39 -1.45 -2.21 114.58 117.90 2bw3 h GLU 423 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2bw3 h GLU 423 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2bw3 h GLU 423 CO -0.13 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.81 2bw3 n ASN 424 N -3.92 4.06 -4.70 1.42 3.02 0.00 -4.96 115.26 110.17 2bw3 n ASN 424 Ca -0.01 -2.21 -0.26 0.00 -0.03 0.00 0.00 54.58 52.06 2bw3 n ASN 424 Cb 0.18 -0.48 0.10 0.00 -0.61 0.00 0.00 39.78 38.97 2bw3 n ASN 424 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bw3 s LEU 425 N -1.40 2.82 0.34 3.41 1.43 -0.83 -4.53 118.68 119.92 2bw3 s LEU 425 Ca 0.45 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 2bw3 s LEU 425 Cb 0.26 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2bw3 s LEU 425 CO 0.26 -1.91 0.16 -0.94 0.23 0.00 0.00 176.35 174.14 2bw3 s SER 426 N -4.65 2.02 0.56 2.29 1.04 -1.26 -5.02 113.70 108.68 2bw3 s SER 426 Ca 0.64 -1.62 0.25 0.00 0.48 0.00 0.00 55.95 55.71 2bw3 s SER 426 Cb -0.08 0.43 1.55 0.00 0.10 0.00 0.00 66.02 68.02 2bw3 s SER 426 CO 0.47 -0.92 2.12 -0.29 0.98 0.00 0.00 173.24 175.60 2bw3 h ILE 427 N 2.05 0.65 -0.71 -1.02 6.09 -1.99 -0.93 117.51 121.65 2bw3 h ILE 427 Ca -0.33 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.20 2bw3 h ILE 427 Cb 1.25 0.88 -0.05 0.00 0.47 0.00 0.00 36.82 39.38 2bw3 h ILE 427 CO 0.52 0.00 0.43 -0.50 -3.07 0.00 0.00 178.15 175.53 2bw3 h TRP 428 N 0.00 0.80 -0.37 2.19 4.06 -1.99 -0.97 115.95 119.68 2bw3 h TRP 428 Ca 0.08 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 2bw3 h TRP 428 Cb 0.39 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2bw3 h TRP 428 CO 0.00 0.43 -0.07 0.45 -3.56 0.00 0.00 178.44 175.69 2bw3 h HIS 429 N 0.82 0.78 -0.09 0.49 3.86 -1.51 -1.63 115.15 117.87 2bw3 h HIS 429 Ca 0.30 -0.16 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 2bw3 h HIS 429 Cb 0.09 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2bw3 h HIS 429 CO -0.05 0.84 -0.52 1.88 0.86 0.00 0.00 177.93 180.93 2bw3 h TYR 430 N 0.50 0.32 -0.29 2.45 -1.99 -1.48 -2.58 116.97 113.89 2bw3 h TYR 430 Ca 0.09 -0.11 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 2bw3 h TYR 430 Cb 0.57 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 2bw3 h TYR 430 CO 0.05 0.73 -0.42 1.15 -0.00 0.00 0.00 178.16 179.67 2bw3 h THR 431 N 0.20 1.29 -0.40 -2.88 2.02 -1.11 -1.98 112.91 110.04 2bw3 h THR 431 Ca 0.01 -1.60 0.01 0.00 0.77 0.00 0.00 66.41 65.59 2bw3 h THR 431 Cb 0.99 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2bw3 h THR 431 CO 0.08 0.52 0.26 0.00 0.37 0.00 0.00 175.52 176.75 2bw3 h ALA 432 N 0.94 0.51 -0.64 6.16 0.00 -1.11 0.48 119.26 125.59 2bw3 h ALA 432 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2bw3 h ALA 432 Cb 0.97 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2bw3 h ALA 432 CO 0.09 -0.06 0.25 0.35 0.00 0.00 0.00 179.25 179.88 2bw3 h PHE 433 N 0.52 0.96 -0.38 0.00 3.57 -1.41 -1.90 116.94 118.31 2bw3 h PHE 433 Ca 0.15 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2bw3 h PHE 433 Cb -0.04 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 2bw3 h PHE 433 CO -0.06 0.74 0.04 0.35 -2.23 0.00 0.00 178.31 177.16 2bw3 h PHE 434 N 0.93 0.59 0.00 0.41 3.57 -0.60 -2.24 116.94 119.60 2bw3 h PHE 434 Ca 0.22 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2bw3 h PHE 434 Cb 0.20 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2bw3 h PHE 434 CO 0.01 0.54 0.00 1.19 -2.23 0.00 0.00 178.31 177.83 2bw3 n PHE 435 N -4.30 0.00 -3.39 0.41 0.99 0.09 -4.35 117.46 106.91 2bw3 n PHE 435 Ca 0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.02 2bw3 n PHE 435 Cb 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.65 2bw3 n PHE 435 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2bw3 s TYR 436 N -2.00 3.43 0.29 1.38 5.04 -0.84 -4.98 117.35 119.66 2bw3 s TYR 436 Ca 0.19 -1.67 0.02 0.00 -2.44 0.00 0.00 57.07 53.17 2bw3 s TYR 436 Cb 0.09 -3.71 0.70 0.00 0.35 0.00 0.00 41.96 39.38 2bw3 s TYR 436 CO 0.15 -1.00 1.67 -1.35 -1.34 0.00 0.00 175.55 173.68 2bw3 h PRO 437 N 8.40 0.29 0.00 4.97 0.11 -1.85 -1.37 132.00 142.55 2bw3 h PRO 437 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2bw3 h PRO 437 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2bw3 h PRO 437 CO 0.91 0.19 0.00 -1.35 -0.21 0.00 0.00 178.00 177.54 2bw3 h PRO 438 N 0.29 0.00 -0.06 1.05 0.11 -1.90 -1.05 132.00 130.44 2bw3 h PRO 438 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2bw3 h PRO 438 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bw3 h PRO 438 CO -0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.20 2bw3 n ALA 439 N -1.80 2.50 -0.30 -0.75 0.00 -0.51 -4.53 120.51 115.11 2bw3 n ALA 439 Ca -0.01 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.96 2bw3 n ALA 439 Cb 0.07 -0.96 0.41 0.00 0.00 0.00 0.00 19.45 18.97 2bw3 n ALA 439 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2bw3 h LEU 440 N 3.73 0.62 -4.79 0.00 3.38 -1.28 -3.45 115.31 113.52 2bw3 h LEU 440 Ca 0.00 0.07 -0.44 0.00 0.09 0.00 0.00 57.88 57.60 2bw3 h LEU 440 Cb 0.80 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2bw3 h LEU 440 CO 0.00 0.24 2.19 0.00 0.09 0.00 0.00 178.44 180.97 2bw3 n HIS 441 N -4.63 1.37 -3.21 1.13 1.44 -1.26 -4.91 115.22 105.15 2bw3 n HIS 441 Ca 0.21 -2.25 -0.43 0.00 -2.01 0.00 0.00 57.72 53.24 2bw3 n HIS 441 Cb 0.61 -1.97 -0.07 0.00 0.12 0.00 0.00 29.99 28.69 2bw3 n HIS 441 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2bw3 s GLN 443 N 2.12 3.14 -0.12 -1.40 -1.52 -1.26 -5.24 119.66 115.37 2bw3 s GLN 443 Ca 0.60 -0.75 0.01 0.00 -1.95 0.00 0.00 55.36 53.26 2bw3 s GLN 443 Cb 0.20 -4.02 0.02 0.00 -0.22 0.00 0.00 33.01 28.98 2bw3 s GLN 443 CO -0.03 -1.04 -0.13 -0.65 -0.25 0.00 0.00 175.29 173.19 2bw3 s GLN 444 N 2.46 2.09 0.00 2.91 -0.21 -1.26 -5.04 119.66 120.61 2bw3 s GLN 444 Ca 0.15 -0.49 0.26 0.00 0.02 0.00 0.00 55.36 55.30 2bw3 s GLN 444 Cb -0.18 -1.89 0.67 0.00 1.00 0.00 0.00 33.01 32.61 2bw3 s GLN 444 CO 0.14 -0.17 1.52 0.39 -2.12 0.00 0.00 175.29 175.04 2bw3 n GLU 445 N 4.57 0.66 -0.37 2.91 4.71 -1.26 -4.37 120.64 127.49 2bw3 n GLU 445 Ca -0.17 -0.39 0.07 0.00 -0.01 0.00 0.00 57.16 56.66 2bw3 n GLU 445 Cb 0.50 -1.49 0.18 0.00 -1.01 0.00 0.00 31.44 29.63 2bw3 n GLU 445 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2bw3 n LYS 446 N -0.83 1.60 -0.29 3.49 5.02 -1.26 -4.79 118.16 121.10 2bw3 n LYS 446 Ca 0.11 -2.92 0.11 0.00 -2.02 0.00 0.00 58.31 53.59 2bw3 n LYS 446 Cb 0.35 -1.61 0.35 0.00 -0.02 0.00 0.00 35.03 34.10 2bw3 n LYS 446 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bw3 h VAL 447 N 0.62 0.84 -0.50 -0.18 2.07 -1.99 0.15 116.25 117.26 2bw3 h VAL 447 Ca 0.02 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2bw3 h VAL 447 Cb 1.11 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2bw3 h VAL 447 CO 0.06 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.83 2bw3 h ALA 448 N 1.59 0.67 -0.30 1.67 0.00 -1.96 0.60 119.26 121.53 2bw3 h ALA 448 Ca 0.47 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2bw3 h ALA 448 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2bw3 h ALA 448 CO -0.23 0.44 -0.29 1.96 0.00 0.00 0.00 179.25 181.12 2bw3 h GLN 449 N 0.72 0.63 -0.33 0.00 7.50 -1.73 -2.45 115.11 119.46 2bw3 h GLN 449 Ca 0.15 -0.27 -0.05 0.00 0.50 0.00 0.00 58.65 58.98 2bw3 h GLN 449 Cb 0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 2bw3 h GLN 449 CO 0.02 0.85 0.02 0.82 -1.50 0.00 0.00 178.83 179.03 2bw3 h ILE 450 N 0.54 1.25 -0.23 2.54 2.04 -0.22 -1.07 117.51 122.37 2bw3 h ILE 450 Ca 0.07 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2bw3 h ILE 450 Cb 0.78 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2bw3 h ILE 450 CO 0.06 0.30 0.12 0.50 0.00 0.00 0.00 178.15 179.13 2bw3 h LYS 451 N 0.38 0.32 -0.47 2.37 3.64 -0.87 0.12 116.57 122.05 2bw3 h LYS 451 Ca 0.09 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2bw3 h LYS 451 Cb 0.42 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2bw3 h LYS 451 CO 0.01 0.30 0.17 1.49 -2.27 0.00 0.00 179.45 179.16 2bw3 h GLU 452 N 0.25 0.34 -0.49 1.90 4.81 -1.35 -0.20 114.58 119.85 2bw3 h GLU 452 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2bw3 h GLU 452 Cb 0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2bw3 h GLU 452 CO -0.01 0.23 0.28 0.35 -0.73 0.00 0.00 179.01 179.13 2bw3 h PHE 453 N 0.35 0.65 -0.41 0.92 3.57 -0.84 -1.70 116.94 119.48 2bw3 h PHE 453 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2bw3 h PHE 453 Cb 0.22 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2bw3 h PHE 453 CO -0.15 0.47 0.19 0.00 -2.23 0.00 0.00 178.31 176.59 2bw3 h LEU 455 N 0.52 0.46 -0.25 0.00 4.07 -1.03 -2.91 115.31 116.18 2bw3 h LEU 455 Ca 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2bw3 h LEU 455 Cb 0.13 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2bw3 h LEU 455 CO -0.02 0.33 0.15 -1.28 -1.08 0.00 0.00 178.44 176.54 2bw3 h SER 456 N 0.58 0.31 0.00 -0.43 0.87 -1.02 -1.67 113.55 112.18 2bw3 h SER 456 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2bw3 h SER 456 Cb 0.02 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2bw3 h SER 456 CO -0.09 0.28 0.00 0.29 -0.53 0.00 0.00 176.83 176.77 2bw3 n LYS 457 N -4.87 0.36 0.00 2.24 4.76 -0.04 -0.43 118.16 120.17 2bw3 n LYS 457 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2bw3 n LYS 457 Cb 0.06 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2bw3 n LYS 457 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2bw3 n GLU 459 N 0.87 0.00 -0.11 1.97 1.02 -0.63 -2.14 120.64 121.62 2bw3 n GLU 459 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2bw3 n GLU 459 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 2bw3 n GLU 459 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2bw3 h ASP 460 N 0.00 0.38 -0.73 1.62 3.32 -0.99 -0.40 116.42 119.62 2bw3 h ASP 460 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2bw3 h ASP 460 Cb 0.00 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2bw3 h ASP 460 CO 0.00 0.28 0.19 0.25 -1.72 0.00 0.00 179.24 178.23 2bw3 h LEU 461 N 0.47 1.09 -1.09 1.55 5.85 -1.71 0.44 115.31 121.92 2bw3 h LEU 461 Ca 0.14 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2bw3 h LEU 461 Cb -0.02 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2bw3 h LEU 461 CO -0.05 1.04 0.57 -0.33 -0.34 0.00 0.00 178.44 179.33 2bw3 h GLU 462 N 1.10 1.19 -0.21 1.25 5.08 -1.78 -0.41 114.58 120.79 2bw3 h GLU 462 Ca 0.23 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2bw3 h GLU 462 Cb 0.36 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2bw3 h GLU 462 CO 0.00 0.80 0.02 1.25 -1.00 0.00 0.00 179.01 180.08 2bw3 h LEU 463 N 1.22 0.35 -0.44 1.33 5.85 -0.41 -1.60 115.31 121.60 2bw3 h LEU 463 Ca 0.32 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2bw3 h LEU 463 Cb -0.11 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2bw3 h LEU 463 CO -0.07 0.55 0.01 0.40 -0.34 0.00 0.00 178.44 178.99 2bw3 h ILE 464 N 0.14 0.68 -0.66 4.05 2.04 -0.66 -2.12 117.51 120.97 2bw3 h ILE 464 Ca 0.06 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2bw3 h ILE 464 Cb 0.36 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2bw3 h ILE 464 CO 0.01 0.02 0.20 0.78 0.00 0.00 0.00 178.15 179.16 2bw3 h ASN 465 N 0.13 0.94 0.00 1.72 2.35 -0.86 0.01 115.58 119.86 2bw3 h ASN 465 Ca 0.22 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2bw3 h ASN 465 Cb 0.31 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2bw3 h ASN 465 CO -0.35 0.89 0.00 0.54 -1.65 0.00 0.00 177.43 176.85 2bw3 n ARG 466 N -4.27 0.18 0.00 0.81 1.74 -0.62 -1.58 116.66 112.93 2bw3 n ARG 466 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2bw3 n ARG 466 Cb 0.22 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2bw3 n ARG 466 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bw3 n SER 468 N 0.42 0.00 -0.09 0.55 7.64 -0.01 -2.71 113.62 119.42 2bw3 n SER 468 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.05 2bw3 n SER 468 Cb 0.05 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.83 2bw3 n SER 468 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2bw3 h SER 469 N 0.00 0.23 -0.64 6.43 0.02 -1.53 -0.72 113.55 117.34 2bw3 h SER 469 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2bw3 h SER 469 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2bw3 h SER 469 CO 0.00 0.12 0.00 0.49 -1.14 0.00 0.00 176.83 176.30 2bw3 n PHE 470 N -4.44 1.05 -3.69 3.45 3.01 -1.10 -4.96 117.46 110.79 2bw3 n PHE 470 Ca 0.12 -0.54 -0.28 0.00 1.01 0.00 0.00 57.45 57.76 2bw3 n PHE 470 Cb 0.54 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.95 2bw3 n PHE 470 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2bw3 n ASN 471 N 1.28 -4.80 -0.19 4.37 3.02 -0.28 -4.87 115.26 113.79 2bw3 n ASN 471 Ca 0.23 -0.63 0.02 0.00 -0.03 0.00 0.00 54.58 54.17 2bw3 n ASN 471 Cb 0.68 -3.86 0.04 0.00 -0.61 0.00 0.00 39.78 36.03 2bw3 n ASN 471 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bw3 n GLU 472 N -4.41 2.25 -0.20 3.52 1.02 -1.26 -4.71 120.64 116.84 2bw3 n GLU 472 Ca 0.01 -1.48 -0.08 0.00 -0.02 0.00 0.00 57.16 55.59 2bw3 n GLU 472 Cb 0.54 -1.08 0.02 0.00 -0.02 0.00 0.00 31.44 30.90 2bw3 n GLU 472 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bw3 h LEU 473 N 0.66 0.85 -7.66 -4.62 5.85 -1.89 -3.45 115.31 105.05 2bw3 h LEU 473 Ca 0.00 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 2bw3 h LEU 473 Cb 0.49 -0.22 -0.23 0.00 0.37 0.00 0.00 40.66 41.06 2bw3 h LEU 473 CO 0.00 0.86 -0.51 -0.55 -0.34 0.00 0.00 178.44 177.90 2bw3 s SER 474 N -6.23 -0.07 0.00 1.25 0.15 -1.26 -5.00 113.70 102.54 2bw3 s SER 474 Ca -0.13 0.05 0.25 0.00 0.70 0.00 0.00 55.95 56.83 2bw3 s SER 474 Cb 0.12 0.27 0.50 0.00 -1.71 0.00 0.00 66.02 65.21 2bw3 s SER 474 CO 0.81 -0.22 1.41 0.00 1.20 0.00 0.00 173.24 176.45 2bw3 n ALA 475 N 2.20 3.52 0.03 5.45 0.00 -1.26 -4.15 120.51 126.30 2bw3 n ALA 475 Ca -0.18 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 52.93 2bw3 n ALA 475 Cb 0.57 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2bw3 n ALA 475 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bw3 n THR 476 N -1.52 0.00 -4.47 0.00 -2.24 -1.26 -5.02 114.28 99.77 2bw3 n THR 476 Ca 0.05 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 2bw3 n THR 476 Cb 0.34 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 68.95 2bw3 n THR 476 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bw3 s GLN 477 N -2.04 2.97 0.02 -0.78 2.00 -1.26 -4.77 119.66 115.81 2bw3 s GLN 477 Ca -0.01 -0.83 -0.30 0.00 -2.00 0.00 0.00 55.36 52.22 2bw3 s GLN 477 Cb 0.02 -2.46 -0.07 0.00 0.80 0.00 0.00 33.01 31.31 2bw3 s GLN 477 CO 0.14 -0.08 1.52 -1.17 -0.50 0.00 0.00 175.29 175.19 2bw3 s LEU 478 N 0.99 4.33 0.72 3.68 1.98 -1.26 -4.39 118.68 124.72 2bw3 s LEU 478 Ca -0.03 2.26 -0.14 0.00 -2.89 0.00 0.00 54.13 53.34 2bw3 s LEU 478 Cb -0.15 -3.56 0.03 0.00 0.66 0.00 0.00 46.19 43.18 2bw3 s LEU 478 CO -0.06 -0.80 1.13 0.20 -1.89 0.00 0.00 176.35 174.93 2bw3 s ASN 479 N 2.18 4.61 0.11 3.68 0.02 -1.26 -5.10 114.94 119.18 2bw3 s ASN 479 Ca 0.68 2.07 0.00 0.00 -1.02 0.00 0.00 52.86 54.59 2bw3 s ASN 479 Cb -0.35 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.37 2bw3 s ASN 479 CO 0.29 -1.97 0.00 0.00 0.02 0.00 0.00 177.10 175.44 2bw3 n GLN 480 N -2.83 -0.35 -0.35 -0.60 6.02 -1.26 -5.12 117.38 112.88 2bw3 n GLN 480 Ca 0.11 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2bw3 n GLN 480 Cb 0.52 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 31.35 2bw3 n GLN 480 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2bw3 n ASP 497 N -0.93 0.00 -4.75 1.08 4.64 -1.26 -4.37 116.55 110.96 2bw3 n ASP 497 Ca 0.00 0.22 -0.36 0.00 -1.38 0.00 0.00 54.79 53.27 2bw3 n ASP 497 Cb 0.08 -0.36 0.03 0.00 -1.04 0.00 0.00 41.12 39.83 2bw3 n ASP 497 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2bw3 s ILE 498 N -0.29 2.68 0.97 5.18 -4.36 -1.26 -4.98 121.20 119.13 2bw3 s ILE 498 Ca 0.00 0.41 -0.11 0.00 -0.26 0.00 0.00 60.65 60.69 2bw3 s ILE 498 Cb 0.00 -3.15 0.17 0.00 1.25 0.00 0.00 42.46 40.74 2bw3 s ILE 498 CO 0.00 -0.10 1.10 -0.94 0.24 0.00 0.00 174.94 175.24 2bw3 s SER 499 N -1.66 2.63 0.22 4.36 1.04 -1.26 -4.80 113.70 114.23 2bw3 s SER 499 Ca 0.77 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 59.00 2bw3 s SER 499 Cb -0.29 -2.42 0.19 0.00 0.10 0.00 0.00 66.02 63.59 2bw3 s SER 499 CO 0.33 -3.22 1.65 0.74 0.98 0.00 0.00 173.24 173.72 2bw3 h THR 500 N -1.95 1.27 -0.23 2.02 2.02 -1.99 -0.77 112.91 113.28 2bw3 h THR 500 Ca -0.49 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 65.33 2bw3 h THR 500 Cb 1.28 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2bw3 h THR 500 CO 0.47 0.43 -0.26 0.71 0.37 0.00 0.00 175.52 177.24 2bw3 h THR 501 N 0.73 1.26 -0.05 3.16 1.35 -1.96 -1.53 112.91 115.87 2bw3 h THR 501 Ca 0.11 -1.26 -0.21 0.00 -0.55 0.00 0.00 66.41 64.50 2bw3 h THR 501 Cb 0.67 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2bw3 h THR 501 CO 0.05 0.40 -0.84 0.28 -0.25 0.00 0.00 175.52 175.16 2bw3 h SER 502 N 0.38 0.59 0.52 5.36 0.02 -1.71 0.51 113.55 119.23 2bw3 h SER 502 Ca 0.06 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2bw3 h SER 502 Cb 0.66 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.03 2bw3 h SER 502 CO 0.05 1.20 -0.25 0.15 -1.14 0.00 0.00 176.83 176.84 2bw3 h PHE 503 N 0.30 -0.65 0.00 3.45 3.57 -0.81 -3.03 116.94 119.76 2bw3 h PHE 503 Ca -0.06 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.28 2bw3 h PHE 503 Cb 1.45 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 2bw3 h PHE 503 CO 0.06 -0.39 -0.69 0.74 -2.23 0.00 0.00 178.31 175.80 2bw3 h PHE 504 N -0.74 0.00 -2.17 0.41 0.05 -1.33 -3.37 116.94 109.79 2bw3 h PHE 504 Ca -0.07 0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.13 2bw3 h PHE 504 Cb 0.56 0.00 -0.41 0.00 2.00 0.00 0.00 35.95 38.09 2bw3 h PHE 504 CO -0.03 0.69 -0.72 1.19 -0.18 0.00 0.00 178.31 179.26 2bw3 n PHE 505 N -3.36 2.87 -0.17 -0.55 3.01 0.17 -4.92 117.46 114.51 2bw3 n PHE 505 Ca 0.01 -4.01 -0.03 0.00 1.01 0.00 0.00 57.45 54.43 2bw3 n PHE 505 Cb 0.78 -0.50 0.18 0.00 -0.01 0.00 0.00 39.48 39.92 2bw3 n PHE 505 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2bw3 h PRO 506 N 3.83 0.91 0.82 -1.08 0.13 -1.70 -0.55 132.00 134.35 2bw3 h PRO 506 Ca 0.16 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2bw3 h PRO 506 Cb 0.68 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.67 2bw3 h PRO 506 CO 0.75 0.78 -0.39 1.96 -0.23 0.00 0.00 178.00 180.87 2bw3 h GLN 507 N 0.88 -1.06 -0.85 0.86 7.50 -1.91 -0.80 115.11 119.73 2bw3 h GLN 507 Ca 0.20 0.07 0.08 0.00 0.50 0.00 0.00 58.65 59.50 2bw3 h GLN 507 Cb 0.24 0.24 -0.07 0.00 0.05 0.00 0.00 27.48 27.94 2bw3 h GLN 507 CO -0.01 -0.70 0.51 -0.07 -1.50 0.00 0.00 178.83 177.06 2bw3 h LEU 508 N -1.28 0.77 -0.14 1.46 3.38 -1.96 -1.26 115.31 116.28 2bw3 h LEU 508 Ca -0.11 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2bw3 h LEU 508 Cb 0.84 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2bw3 h LEU 508 CO 0.18 0.46 0.08 0.74 0.09 0.00 0.00 178.44 180.00 2bw3 h THR 509 N 0.89 1.08 -0.43 0.22 2.02 -1.00 -1.30 112.91 114.38 2bw3 h THR 509 Ca 0.39 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 2bw3 h THR 509 Cb 0.28 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2bw3 h THR 509 CO -0.21 0.07 -0.07 0.06 0.37 0.00 0.00 175.52 175.74 2bw3 h GLN 510 N 0.14 0.75 0.15 6.66 3.07 -0.66 -2.14 115.11 123.09 2bw3 h GLN 510 Ca 0.05 -0.22 0.01 0.00 0.09 0.00 0.00 58.65 58.57 2bw3 h GLN 510 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.51 2bw3 h GLN 510 CO -0.01 0.80 -0.18 -0.91 0.09 0.00 0.00 178.83 178.63 2bw3 h ASN 511 N 0.69 -0.47 -0.07 0.06 4.21 -1.03 -1.78 115.58 117.19 2bw3 h ASN 511 Ca 0.13 0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.70 2bw3 h ASN 511 Cb 0.52 0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2bw3 h ASN 511 CO 0.03 -0.26 0.05 0.78 -1.29 0.00 0.00 177.43 176.74 2bw3 h ASN 512 N -0.37 0.00 -0.25 5.81 2.35 -1.00 0.70 115.58 122.83 2bw3 h ASN 512 Ca 0.01 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 2bw3 h ASN 512 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2bw3 h ASN 512 CO -0.06 0.00 -0.56 0.28 -1.65 0.00 0.00 177.43 175.43 2bw3 h SER 513 N 0.00 0.92 1.02 5.81 0.02 -0.81 -3.22 113.55 117.29 2bw3 h SER 513 Ca 0.03 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2bw3 h SER 513 Cb 0.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2bw3 h SER 513 CO -0.00 1.31 -0.23 0.54 -1.14 0.00 0.00 176.83 177.31 2bw3 n ARG 514 N -4.04 0.14 -2.82 3.45 1.74 -0.69 -4.83 116.66 109.61 2bw3 n ARG 514 Ca -0.05 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2bw3 n ARG 514 Cb 0.63 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 2bw3 n ARG 514 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2bw3 s GLU 515 N -3.07 4.32 0.28 5.56 2.56 0.15 -5.02 118.70 123.49 2bw3 s GLU 515 Ca 0.11 1.14 -0.29 0.00 0.00 0.00 0.00 54.97 55.92 2bw3 s GLU 515 Cb 0.16 -3.58 -0.10 0.00 2.00 0.00 0.00 34.13 32.61 2bw3 s GLU 515 CO 0.62 -0.36 1.29 -2.14 -0.56 0.00 0.00 175.26 174.11 2bw3 s PRO 516 N 2.24 4.40 0.35 4.30 0.02 -1.26 -4.94 135.00 140.11 2bw3 s PRO 516 Ca 0.41 2.12 -0.26 0.00 0.02 0.00 0.00 61.00 63.29 2bw3 s PRO 516 Cb -0.17 -3.13 -0.13 0.00 0.02 0.00 0.00 34.50 31.10 2bw3 s PRO 516 CO 0.13 -0.17 0.97 -2.30 -0.33 0.00 0.00 177.00 175.30 2bw3 n PRO 517 N 1.54 1.30 -1.67 5.54 -0.02 -1.26 -4.88 135.00 135.55 2bw3 n PRO 517 Ca 0.02 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 2bw3 n PRO 517 Cb 0.42 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2bw3 n PRO 517 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2bw3 n VAL 518 N -0.14 0.95 -1.52 -1.45 3.14 -1.26 -4.97 118.33 113.08 2bw3 n VAL 518 Ca 0.09 -0.24 -0.30 0.00 -2.96 0.00 0.00 64.34 60.94 2bw3 n VAL 518 Cb 0.35 -1.50 0.08 0.00 -1.06 0.00 0.00 33.84 31.72 2bw3 n VAL 518 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2bw3 h PRO 520 N -1.02 -0.06 -0.66 0.00 0.11 -1.98 -1.46 132.00 126.92 2bw3 h PRO 520 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bw3 h PRO 520 Cb 1.25 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2bw3 h PRO 520 CO 0.58 -0.04 0.41 1.03 -0.21 0.00 0.00 178.00 179.77 2bw3 h SER 521 N -0.06 0.78 -0.44 -2.05 0.87 -1.97 -2.12 113.55 108.56 2bw3 h SER 521 Ca 0.21 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2bw3 h SER 521 Cb 0.38 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2bw3 h SER 521 CO -0.48 0.59 0.01 0.44 -0.53 0.00 0.00 176.83 176.86 2bw3 h ASP 522 N 0.91 0.76 -0.76 6.23 3.32 -1.72 -0.37 116.42 124.79 2bw3 h ASP 522 Ca 0.24 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2bw3 h ASP 522 Cb -0.06 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 2bw3 h ASP 522 CO -0.05 0.88 0.50 -0.33 -1.72 0.00 0.00 179.24 178.52 2bw3 h GLU 523 N 0.62 1.00 -0.43 3.56 5.08 -0.82 -1.17 114.58 122.42 2bw3 h GLU 523 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2bw3 h GLU 523 Cb 0.48 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2bw3 h GLU 523 CO 0.02 0.67 0.24 0.35 -1.00 0.00 0.00 179.01 179.29 2bw3 h PHE 524 N 1.03 0.60 -0.63 4.33 3.57 -1.07 -0.38 116.94 124.40 2bw3 h PHE 524 Ca 0.28 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2bw3 h PHE 524 Cb -0.11 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2bw3 h PHE 524 CO -0.02 0.46 0.16 0.93 -2.23 0.00 0.00 178.31 177.61 2bw3 h GLU 525 N 0.57 1.00 -0.26 1.11 4.39 -0.79 -0.12 114.58 120.47 2bw3 h GLU 525 Ca 0.15 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2bw3 h GLU 525 Cb 0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2bw3 h GLU 525 CO -0.02 0.90 0.09 0.74 -1.16 0.00 0.00 179.01 179.56 2bw3 h PHE 526 N 0.92 0.41 -0.30 4.33 0.04 -0.98 -3.15 116.94 118.21 2bw3 h PHE 526 Ca 0.20 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.96 2bw3 h PHE 526 Cb 0.34 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2bw3 h PHE 526 CO 0.02 0.44 0.12 -0.92 -0.60 0.00 0.00 178.31 177.38 2bw3 h TYR 527 N 0.26 0.22 -0.53 -0.55 3.20 -0.84 -2.30 116.97 116.42 2bw3 h TYR 527 Ca 0.08 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.12 2bw3 h TYR 527 Cb 0.22 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2bw3 h TYR 527 CO -0.00 0.11 0.46 -0.09 -1.64 0.00 0.00 178.16 176.99 2bw3 h ARG 528 N 0.26 0.00 -0.20 1.82 2.43 -0.98 -0.48 114.38 117.23 2bw3 h ARG 528 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2bw3 h ARG 528 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2bw3 h ARG 528 CO -0.12 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 179.97 2bw3 n LYS 529 N -4.03 1.99 -1.96 0.20 5.02 -0.87 -4.95 118.16 113.56 2bw3 n LYS 529 Ca 0.10 -1.48 -0.41 0.00 -2.02 0.00 0.00 58.31 54.50 2bw3 n LYS 529 Cb 0.67 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 2bw3 n LYS 529 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2bw3 s GLU 530 N -1.75 4.24 -0.32 1.97 2.56 -0.19 -4.99 118.70 120.22 2bw3 s GLU 530 Ca 0.34 2.37 0.01 0.00 0.00 0.00 0.00 54.97 57.70 2bw3 s GLU 530 Cb 0.19 -3.07 0.08 0.00 2.00 0.00 0.00 34.13 33.34 2bw3 s GLU 530 CO 0.29 -0.43 0.02 0.42 -0.56 0.00 0.00 175.26 175.00 2bw3 s ILE 531 N -0.40 2.57 -0.10 -3.70 -1.09 -1.26 -4.90 121.20 112.33 2bw3 s ILE 531 Ca 0.57 -1.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.13 2bw3 s ILE 531 Cb -0.43 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2bw3 s ILE 531 CO 0.49 -0.35 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.96 2bw3 s VAL 532 N 1.07 1.83 0.03 2.92 1.01 -1.26 -5.08 120.40 120.93 2bw3 s VAL 532 Ca 0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 2bw3 s VAL 532 Cb -0.20 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2bw3 s VAL 532 CO -0.05 0.51 0.97 -0.63 0.00 0.00 0.00 175.10 175.90 2bw3 s ILE 533 N 0.50 4.76 -0.07 2.22 -1.09 -1.26 -4.03 121.20 122.23 2bw3 s ILE 533 Ca -0.16 2.05 -0.30 0.00 -2.23 0.00 0.00 60.65 60.01 2bw3 s ILE 533 Cb -0.17 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.37 2bw3 s ILE 533 CO 0.06 0.21 1.10 -0.22 -1.23 0.00 0.00 174.94 174.86 2bw3 s LEU 534 N 0.69 4.27 0.10 2.97 2.96 -1.26 -4.88 118.68 123.53 2bw3 s LEU 534 Ca 0.50 1.68 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 2bw3 s LEU 534 Cb -0.22 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 2bw3 s LEU 534 CO 0.28 -0.50 -0.09 -0.94 -1.32 0.00 0.00 176.35 173.78 2bw3 s SER 535 N 1.26 1.36 0.52 3.68 1.04 -1.26 -5.05 113.70 115.26 2bw3 s SER 535 Ca 0.52 -0.85 0.31 0.00 0.48 0.00 0.00 55.95 56.41 2bw3 s SER 535 Cb -0.22 0.03 1.35 0.00 0.10 0.00 0.00 66.02 67.28 2bw3 s SER 535 CO 0.21 -0.31 1.99 1.05 0.98 0.00 0.00 173.24 177.16 2bw3 h GLU 536 N 3.44 0.00 -0.59 4.02 4.11 -2.08 -1.77 114.58 121.71 2bw3 h GLU 536 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2bw3 h GLU 536 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2bw3 h GLU 536 CO 0.55 0.09 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2bw3 n ASP 537 N -3.28 3.34 -4.69 3.06 3.85 -1.26 -4.92 116.55 112.65 2bw3 n ASP 537 Ca -0.00 -2.27 -0.42 0.00 -0.71 0.00 0.00 54.79 51.39 2bw3 n ASP 537 Cb 0.31 -0.46 -0.03 0.00 -1.35 0.00 0.00 41.12 39.59 2bw3 n ASP 537 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2bw3 s PHE 538 N -1.70 2.62 -0.27 2.11 5.36 -0.67 -4.98 117.98 120.45 2bw3 s PHE 538 Ca 0.35 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 56.81 2bw3 s PHE 538 Cb 0.22 -3.90 0.07 0.00 -0.34 0.00 0.00 43.02 39.07 2bw3 s PHE 538 CO 0.18 -3.53 -0.04 0.15 -1.46 0.00 0.00 175.22 170.52 2bw3 s LYS 539 N 2.30 1.73 0.00 10.12 1.02 -1.26 -5.00 119.74 128.65 2bw3 s LYS 539 Ca 0.71 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2bw3 s LYS 539 Cb -0.39 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2bw3 s LYS 539 CO 0.31 -0.70 0.00 1.55 -0.92 0.00 0.00 175.35 175.59 2bw3 n VAL 540 N 4.50 0.00 0.00 3.17 3.14 -1.26 -2.31 118.33 125.57 2bw3 n VAL 540 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2bw3 n VAL 540 Cb 0.43 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2bw3 n VAL 540 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2bw3 n GLU 542 N 0.90 0.00 0.17 1.45 1.02 -1.26 -2.00 120.64 120.92 2bw3 n GLU 542 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2bw3 n GLU 542 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2bw3 n GLU 542 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2bw3 h TRP 543 N 0.00 -0.38 -0.75 -0.32 7.01 -1.89 -0.40 115.95 119.22 2bw3 h TRP 543 Ca 0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2bw3 h TRP 543 Cb 0.00 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 2bw3 h TRP 543 CO 0.00 -0.23 0.36 -1.49 -2.79 0.00 0.00 178.44 174.29 2bw3 h TRP 544 N -0.39 1.09 -0.83 2.65 4.06 -1.70 -1.60 115.95 119.24 2bw3 h TRP 544 Ca -0.03 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 2bw3 h TRP 544 Cb 0.31 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 2bw3 h TRP 544 CO -0.07 0.80 0.46 -0.97 -3.56 0.00 0.00 178.44 175.10 2bw3 h ASN 545 N 1.06 1.03 1.48 -3.49 -1.24 -1.80 -1.80 115.58 110.82 2bw3 h ASN 545 Ca 0.26 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2bw3 h ASN 545 Cb 0.12 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2bw3 h ASN 545 CO -0.03 0.83 0.00 0.25 -1.29 0.00 0.00 177.43 177.18 2bw3 h LEU 546 N 1.15 0.00 -3.52 0.34 6.46 -0.90 -2.92 115.31 115.93 2bw3 h LEU 546 Ca 0.29 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 2bw3 h LEU 546 Cb 0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2bw3 h LEU 546 CO -0.05 0.00 0.04 0.59 -0.62 0.00 0.00 178.44 178.41 2bw3 n ASN 547 N -2.87 5.04 0.11 1.25 3.02 -0.62 -4.61 115.26 116.58 2bw3 n ASN 547 Ca 0.03 -3.03 0.03 0.00 -0.03 0.00 0.00 54.58 51.58 2bw3 n ASN 547 Cb 0.41 -0.66 0.40 0.00 -0.61 0.00 0.00 39.78 39.33 2bw3 n ASN 547 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2bw3 h SER 548 N 3.13 0.24 0.33 6.41 4.64 -1.18 -1.05 113.55 126.07 2bw3 h SER 548 Ca 0.05 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.12 2bw3 h SER 548 Cb 1.90 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2bw3 h SER 548 CO 0.46 0.36 -0.86 0.11 -0.87 0.00 0.00 176.83 176.03 2bw3 h LYS 549 N 0.25 0.39 -0.09 4.77 1.79 -1.86 -1.27 116.57 120.55 2bw3 h LYS 549 Ca 0.05 -0.38 -0.17 0.00 -2.18 0.00 0.00 60.65 57.97 2bw3 h LYS 549 Cb 0.32 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 2bw3 h LYS 549 CO 0.02 1.05 -0.67 -0.22 -1.08 0.00 0.00 179.45 178.55 2bw3 h LYS 550 N 0.24 0.37 -2.29 3.15 3.64 -1.82 -3.35 116.57 116.50 2bw3 h LYS 550 Ca -0.06 -0.28 -0.59 0.00 -1.27 0.00 0.00 60.65 58.45 2bw3 h LYS 550 Cb 1.48 0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 32.94 2bw3 h LYS 550 CO 0.15 0.91 -0.74 0.66 -2.27 0.00 0.00 179.45 178.15 2bw3 n TYR 551 N -3.86 2.29 -0.02 1.91 4.02 -0.42 -4.97 117.16 116.10 2bw3 n TYR 551 Ca -0.04 -3.97 -0.09 0.00 -0.01 0.00 0.00 57.90 53.79 2bw3 n TYR 551 Cb 0.67 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 2bw3 n TYR 551 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2bw3 h PRO 552 N 4.41 -0.16 0.11 -0.72 0.11 -1.38 0.89 132.00 135.27 2bw3 h PRO 552 Ca 0.17 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.02 2bw3 h PRO 552 Cb 0.75 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2bw3 h PRO 552 CO 0.69 -0.11 -1.36 0.87 -0.21 0.00 0.00 178.00 177.89 2bw3 h LYS 553 N -0.16 0.24 -0.56 1.05 1.57 -1.94 -3.29 116.57 113.48 2bw3 h LYS 553 Ca 0.11 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2bw3 h LYS 553 Cb 0.32 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2bw3 h LYS 553 CO -0.27 1.19 0.18 1.25 -0.57 0.00 0.00 179.45 181.24 2bw3 h LEU 554 N -0.33 0.77 -0.77 2.94 5.85 -1.94 -2.04 115.31 119.78 2bw3 h LEU 554 Ca -0.29 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 2bw3 h LEU 554 Cb 1.73 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2bw3 h LEU 554 CO 0.06 0.72 -0.04 0.77 -0.34 0.00 0.00 178.44 179.61 2bw3 h SER 555 N 0.81 0.88 -0.74 1.25 4.64 -0.97 0.12 113.55 119.53 2bw3 h SER 555 Ca 0.19 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2bw3 h SER 555 Cb 0.23 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2bw3 h SER 555 CO -0.01 0.96 0.47 0.11 -0.87 0.00 0.00 176.83 177.49 2bw3 h LYS 556 N 0.82 0.99 -0.01 4.77 1.57 -1.52 -0.18 116.57 123.01 2bw3 h LYS 556 Ca 0.15 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2bw3 h LYS 556 Cb 0.54 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2bw3 h LYS 556 CO 0.03 0.68 0.00 1.25 -0.57 0.00 0.00 179.45 180.84 2bw3 h LEU 557 N 1.00 0.01 -0.34 2.94 6.46 -0.78 -2.05 115.31 122.55 2bw3 h LEU 557 Ca 0.27 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2bw3 h LEU 557 Cb -0.07 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 2bw3 h LEU 557 CO -0.05 0.28 0.22 0.00 -0.62 0.00 0.00 178.44 178.27 2bw3 h ALA 558 N 0.73 0.43 -0.17 1.25 0.00 -0.64 0.12 119.26 120.99 2bw3 h ALA 558 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bw3 h ALA 558 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bw3 h ALA 558 CO 0.00 -0.09 0.09 -0.07 0.00 0.00 0.00 179.25 179.18 2bw3 h LEU 559 N 0.46 0.21 -0.57 0.00 3.38 -1.03 0.13 115.31 117.89 2bw3 h LEU 559 Ca 0.12 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2bw3 h LEU 559 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2bw3 h LEU 559 CO -0.03 0.24 -0.17 0.77 0.09 0.00 0.00 178.44 179.34 2bw3 h SER 560 N 0.17 0.98 -0.57 -0.43 4.64 -1.29 -2.62 113.55 114.42 2bw3 h SER 560 Ca 0.06 -0.35 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 2bw3 h SER 560 Cb 0.07 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2bw3 h SER 560 CO -0.01 1.12 -0.06 0.25 -0.87 0.00 0.00 176.83 177.27 2bw3 h LEU 561 N 0.85 1.04 -0.41 5.97 6.46 -0.46 -2.66 115.31 126.09 2bw3 h LEU 561 Ca 0.12 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2bw3 h LEU 561 Cb 0.73 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2bw3 h LEU 561 CO 0.06 1.12 0.00 0.18 -0.62 0.00 0.00 178.44 179.18 2bw3 n LEU 562 N -4.17 0.43 -0.14 2.25 4.77 0.43 -2.18 117.00 118.39 2bw3 n LEU 562 Ca 0.02 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 2bw3 n LEU 562 Cb 0.38 -0.54 0.55 0.00 -2.33 0.00 0.00 43.42 41.48 2bw3 n LEU 562 CO 0.45 -0.42 0.82 -1.54 -1.33 0.00 0.00 177.39 175.36 2bw3 n SER 563 N -1.97 0.57 -4.66 -1.43 3.41 -0.99 -4.41 113.62 104.14 2bw3 n SER 563 Ca 0.03 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 2bw3 n SER 563 Cb 0.22 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2bw3 n SER 563 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2bw3 s ILE 564 N -2.51 4.75 0.51 -1.33 1.01 -0.92 -4.61 121.20 118.11 2bw3 s ILE 564 Ca 0.27 1.85 -0.21 0.00 0.00 0.00 0.00 60.65 62.56 2bw3 s ILE 564 Cb 0.20 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 2bw3 s ILE 564 CO 0.49 -0.11 1.17 -2.84 0.00 0.00 0.00 174.94 173.65 2bw3 s PRO 565 N 2.90 3.47 0.46 2.79 0.02 -1.26 -3.96 135.00 139.43 2bw3 s PRO 565 Ca 0.41 1.76 0.26 0.00 0.02 0.00 0.00 61.00 63.44 2bw3 s PRO 565 Cb -0.15 -2.20 0.63 0.00 0.02 0.00 0.00 34.50 32.80 2bw3 s PRO 565 CO 0.08 -0.78 1.71 0.00 -0.33 0.00 0.00 177.00 177.68 2bw3 h ALA 566 N 1.57 0.98 -4.50 -1.55 0.00 -1.85 -3.46 119.26 110.46 2bw3 h ALA 566 Ca -0.50 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 53.70 2bw3 h ALA 566 Cb 1.26 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.76 2bw3 h ALA 566 CO 0.58 0.04 -0.88 0.45 0.00 0.00 0.00 179.25 179.44 2bw3 s SER 567 N -6.08 3.00 0.17 0.00 0.15 -1.19 -1.49 113.70 108.26 2bw3 s SER 567 Ca 0.05 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.45 2bw3 s SER 567 Cb 0.06 -0.32 0.91 0.00 -1.71 0.00 0.00 66.02 64.97 2bw3 s SER 567 CO 0.64 0.29 1.73 -1.54 1.20 0.00 0.00 173.24 175.56 2bw3 n SER 568 N 2.27 0.55 -1.95 5.45 3.41 -1.26 -2.43 113.62 119.65 2bw3 n SER 568 Ca -0.16 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 2bw3 n SER 568 Cb 0.51 -0.72 0.34 0.00 -0.26 0.00 0.00 64.21 64.08 2bw3 n SER 568 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bw3 n ALA 569 N -1.71 4.34 -0.35 7.33 0.00 -1.26 -3.75 120.51 125.11 2bw3 n ALA 569 Ca 0.04 -2.22 0.13 0.00 0.00 0.00 0.00 53.44 51.39 2bw3 n ALA 569 Cb 0.31 -1.19 0.32 0.00 0.00 0.00 0.00 19.45 18.89 2bw3 n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bw3 h ALA 570 N 3.09 1.68 -0.24 0.00 0.00 -1.69 -1.35 119.26 120.76 2bw3 h ALA 570 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bw3 h ALA 570 Cb 2.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2bw3 h ALA 570 CO 0.65 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 180.29 2bw3 n SER 571 N -4.75 2.29 0.25 0.00 7.64 -1.26 -4.48 113.62 113.30 2bw3 n SER 571 Ca 0.23 -1.82 0.17 0.00 1.01 0.00 0.00 58.87 58.46 2bw3 n SER 571 Cb 0.57 -0.15 0.89 0.00 -1.01 0.00 0.00 64.21 64.50 2bw3 n SER 571 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2bw3 h GLU 572 N 3.01 0.00 -0.56 1.43 4.81 -1.57 -0.81 114.58 120.89 2bw3 h GLU 572 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2bw3 h GLU 572 Cb 0.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2bw3 h GLU 572 CO 0.00 0.00 0.01 -0.09 -0.73 0.00 0.00 179.01 178.20 2bw3 h ARG 573 N 0.00 0.95 -0.10 1.92 9.65 -1.80 -0.83 114.38 124.17 2bw3 h ARG 573 Ca 0.05 -0.28 -0.16 0.00 -1.10 0.00 0.00 59.98 58.49 2bw3 h ARG 573 Cb 0.36 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2bw3 h ARG 573 CO -0.00 0.93 -0.58 1.15 2.80 0.00 0.00 179.97 184.27 2bw3 h THR 574 N 0.88 1.35 -0.76 0.20 2.02 -1.52 -2.57 112.91 112.51 2bw3 h THR 574 Ca 0.16 -1.88 0.08 0.00 0.77 0.00 0.00 66.41 65.54 2bw3 h THR 574 Cb 0.50 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 2bw3 h THR 574 CO 0.02 0.57 0.50 -0.26 0.37 0.00 0.00 175.52 176.73 2bw3 h PHE 575 N 0.19 0.78 -0.39 3.16 0.05 -1.18 -0.78 116.94 118.77 2bw3 h PHE 575 Ca -0.04 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.66 2bw3 h PHE 575 Cb 1.22 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.91 2bw3 h PHE 575 CO 0.11 0.39 -0.17 0.77 -0.18 0.00 0.00 178.31 179.23 2bw3 h SER 576 N 0.75 0.82 0.25 2.17 0.02 -1.09 -2.23 113.55 114.23 2bw3 h SER 576 Ca 0.34 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2bw3 h SER 576 Cb 0.35 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2bw3 h SER 576 CO -0.12 1.04 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.42 2bw3 h LEU 577 N 0.60 0.00 -1.02 5.07 3.38 -0.76 -2.16 115.31 120.42 2bw3 h LEU 577 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bw3 h LEU 577 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2bw3 h LEU 577 CO 0.05 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.69 2bw3 n ALA 578 N -2.35 2.55 -0.33 1.53 0.00 -0.55 -4.33 120.51 117.03 2bw3 n ALA 578 Ca -0.02 -0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.04 2bw3 n ALA 578 Cb 0.21 -1.13 0.28 0.00 0.00 0.00 0.00 19.45 18.80 2bw3 n ALA 578 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2bw3 h GLY 579 N 4.95 1.60 0.90 0.00 0.00 -1.05 -2.09 103.07 107.38 2bw3 h GLY 579 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2bw3 h GLY 579 CO 0.00 -0.05 0.13 3.45 0.00 0.00 0.00 176.54 180.07 2bw3 h ASN 580 N 0.70 0.20 0.77 0.19 -1.07 -1.82 -1.52 115.58 113.02 2bw3 h ASN 580 Ca 0.53 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.90 2bw3 h ASN 580 Cb 0.78 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 2bw3 h ASN 580 CO -0.38 0.15 0.00 2.30 0.07 0.00 0.00 177.43 179.58 2bw3 n ILE 581 N -4.97 0.02 0.08 6.14 -5.35 -0.84 -2.70 119.36 111.75 2bw3 n ILE 581 Ca -0.02 0.01 0.09 0.00 -0.27 0.00 0.00 62.75 62.56 2bw3 n ILE 581 Cb 0.06 -0.51 -0.13 0.00 -1.74 0.00 0.00 39.64 37.31 2bw3 n ILE 581 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2bw3 n ILE 582 N -1.39 0.00 0.00 7.28 -5.35 -0.90 -0.80 119.36 118.20 2bw3 n ILE 582 Ca 0.11 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2bw3 n ILE 582 Cb 0.29 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 2bw3 n ILE 582 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2bw3 n THR 583 N -2.04 0.00 -2.02 7.28 -2.24 -0.61 -4.89 114.28 109.76 2bw3 n THR 583 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2bw3 n THR 583 Cb 0.44 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 2bw3 n THR 583 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2bw3 s GLU 584 N -2.00 4.23 0.16 -0.78 2.56 -1.10 -4.87 118.70 116.90 2bw3 s GLU 584 Ca 0.00 2.22 -0.21 0.00 0.00 0.00 0.00 54.97 56.98 2bw3 s GLU 584 Cb 0.00 -3.53 0.05 0.00 2.00 0.00 0.00 34.13 32.65 2bw3 s GLU 584 CO 0.00 -0.66 1.63 -0.22 -0.56 0.00 0.00 175.26 175.45 2bw3 h LYS 585 N 7.98 -0.20 -0.24 4.30 3.64 -1.95 0.79 116.57 130.89 2bw3 h LYS 585 Ca -0.41 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 2bw3 h LYS 585 Cb 1.20 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2bw3 h LYS 585 CO 0.92 -0.13 0.10 -0.09 -2.27 0.00 0.00 179.45 177.98 2bw3 h ARG 586 N -0.20 0.33 -0.01 1.90 2.43 -1.95 -3.14 114.38 113.74 2bw3 h ARG 586 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2bw3 h ARG 586 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2bw3 h ARG 586 CO -0.42 0.27 -0.31 0.09 -1.51 0.00 0.00 179.97 178.09 2bw3 n ASN 587 N -4.44 1.43 -4.69 -3.80 3.02 -0.63 -5.02 115.26 101.12 2bw3 n ASN 587 Ca 0.01 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.92 2bw3 n ASN 587 Cb 0.12 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.76 2bw3 n ASN 587 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2bw3 s ARG 588 N -1.75 4.20 0.30 3.52 3.52 0.27 -4.43 118.95 124.57 2bw3 s ARG 588 Ca 0.11 2.32 0.07 0.00 -0.13 0.00 0.00 55.73 58.09 2bw3 s ARG 588 Cb 0.11 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2bw3 s ARG 588 CO 0.37 -0.73 0.34 0.96 -0.81 0.00 0.00 175.30 175.43 2bw3 s ILE 589 N 2.60 4.25 0.76 4.11 -4.36 0.02 -5.01 121.20 123.58 2bw3 s ILE 589 Ca 0.73 -1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 59.82 2bw3 s ILE 589 Cb -0.40 -3.44 0.05 0.00 1.25 0.00 0.00 42.46 39.93 2bw3 s ILE 589 CO 0.32 -0.24 1.11 -0.83 0.24 0.00 0.00 174.94 175.54 2bw3 s GLY 590 N -4.01 1.81 0.19 6.27 0.00 -1.26 -4.77 107.32 105.55 2bw3 s GLY 590 Ca 0.39 0.39 -0.16 0.00 0.00 0.00 0.00 44.72 45.35 2bw3 s GLY 590 CO 0.28 0.75 1.64 -1.61 0.00 0.00 0.00 173.10 174.16 2bw3 h GLN 591 N -0.93 -0.03 -0.59 2.90 5.75 -1.97 -0.60 115.11 119.65 2bw3 h GLN 591 Ca -0.44 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.07 2bw3 h GLN 591 Cb 1.24 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 2bw3 h GLN 591 CO 0.51 -0.02 0.38 1.96 -2.65 0.00 0.00 178.83 179.01 2bw3 h GLN 592 N -0.03 0.74 0.00 1.69 1.08 -1.97 -2.24 115.11 114.38 2bw3 h GLN 592 Ca 0.25 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2bw3 h GLN 592 Cb 0.41 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2bw3 h GLN 592 CO -0.55 0.49 -0.50 1.79 -0.95 0.00 0.00 178.83 179.11 2bw3 h THR 593 N 0.76 1.21 -0.41 -0.54 1.35 -1.76 -1.20 112.91 112.33 2bw3 h THR 593 Ca 0.22 -1.81 -0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2bw3 h THR 593 Cb -0.05 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2bw3 h THR 593 CO -0.06 0.49 0.24 0.58 -0.25 0.00 0.00 175.52 176.51 2bw3 h VAL 594 N 0.00 1.14 -0.51 6.82 2.07 -0.76 0.35 116.25 125.35 2bw3 h VAL 594 Ca -0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2bw3 h VAL 594 Cb 0.98 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2bw3 h VAL 594 CO 0.06 0.14 0.06 0.44 0.02 0.00 0.00 177.57 178.30 2bw3 h ASP 595 N 0.53 0.84 -0.63 0.57 3.32 -1.09 -1.15 116.42 118.82 2bw3 h ASP 595 Ca 0.14 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2bw3 h ASP 595 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2bw3 h ASP 595 CO -0.03 0.90 0.12 0.28 -1.72 0.00 0.00 179.24 178.79 2bw3 h SER 596 N 0.74 0.98 -0.36 6.45 0.02 -1.02 -1.71 113.55 118.65 2bw3 h SER 596 Ca 0.15 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 2bw3 h SER 596 Cb 0.43 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2bw3 h SER 596 CO 0.01 0.98 -0.10 0.25 -1.14 0.00 0.00 176.83 176.83 2bw3 h LEU 597 N 0.94 0.71 -0.58 5.07 6.46 -0.05 -1.51 115.31 126.36 2bw3 h LEU 597 Ca 0.19 -0.37 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2bw3 h LEU 597 Cb 0.40 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2bw3 h LEU 597 CO 0.01 0.92 0.03 -0.07 -0.62 0.00 0.00 178.44 178.71 2bw3 h LEU 598 N 0.50 0.97 -0.38 2.25 4.07 -1.16 0.48 115.31 122.04 2bw3 h LEU 598 Ca 0.09 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.73 2bw3 h LEU 598 Cb 0.62 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2bw3 h LEU 598 CO 0.04 1.02 0.13 0.15 -1.08 0.00 0.00 178.44 178.70 2bw3 h PHE 599 N 0.89 0.60 -0.65 1.13 3.57 -1.26 -0.81 116.94 120.42 2bw3 h PHE 599 Ca 0.17 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2bw3 h PHE 599 Cb 0.51 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2bw3 h PHE 599 CO 0.04 0.56 0.20 1.25 -2.23 0.00 0.00 178.31 178.12 2bw3 h LEU 600 N 0.47 0.95 -0.46 0.59 5.85 -0.97 0.14 115.31 121.87 2bw3 h LEU 600 Ca 0.12 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2bw3 h LEU 600 Cb 0.23 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2bw3 h LEU 600 CO -0.01 0.91 0.26 -1.13 -0.34 0.00 0.00 178.44 178.13 2bw3 h ASN 601 N 0.94 0.58 0.54 1.25 -0.73 -0.77 -0.34 115.58 117.04 2bw3 h ASN 601 Ca 0.21 -0.09 -0.11 0.00 1.87 0.00 0.00 56.30 58.18 2bw3 h ASN 601 Cb 0.30 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 2bw3 h ASN 601 CO -0.01 0.50 -0.52 0.77 -0.37 0.00 0.00 177.43 177.80 2bw3 h SER 602 N 0.61 0.00 -0.07 1.15 4.64 -0.63 -2.19 113.55 117.06 2bw3 h SER 602 Ca 0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2bw3 h SER 602 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2bw3 h SER 602 CO -0.03 0.52 0.02 0.15 -0.87 0.00 0.00 176.83 176.62 2bw3 h PHE 603 N 0.00 0.11 -0.38 4.77 3.57 0.01 -1.07 116.94 123.94 2bw3 h PHE 603 Ca -0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2bw3 h PHE 603 Cb 0.93 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2bw3 h PHE 603 CO 0.00 0.28 0.20 1.88 -2.23 0.00 0.00 178.31 178.44 2bw3 h TYR 604 N -0.09 0.38 -0.89 0.41 0.99 -0.98 0.23 116.97 117.01 2bw3 h TYR 604 Ca 0.02 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.78 2bw3 h TYR 604 Cb 0.22 -0.11 -0.05 0.00 1.00 0.00 0.00 36.73 37.79 2bw3 h TYR 604 CO -0.00 0.21 0.59 -0.22 -0.00 0.00 0.00 178.16 178.74 2bw3 h LYS 605 N 0.41 1.16 0.17 4.88 3.64 -1.26 0.18 116.57 125.75 2bw3 h LYS 605 Ca 0.16 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 2bw3 h LYS 605 Cb 0.05 -0.26 0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2bw3 h LYS 605 CO -0.10 0.77 -1.03 -0.91 -2.27 0.00 0.00 179.45 175.91 2bw3 h ASN 606 N 1.20 0.56 0.00 4.20 2.35 -0.90 -3.41 115.58 119.57 2bw3 h ASN 606 Ca 0.33 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2bw3 h ASN 606 Cb -0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.07 2bw3 h ASN 606 CO -0.08 1.49 -0.68 0.49 -1.65 0.00 0.00 177.43 177.00 2bw3 n PHE 607 N -4.01 0.00 -1.75 1.19 3.01 0.77 -4.64 117.46 112.03 2bw3 n PHE 607 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.21 2bw3 n PHE 607 Cb 0.90 -0.04 0.12 0.00 -0.01 0.00 0.00 39.48 40.46 2bw3 n PHE 607 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77