#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxn h LYS 110 N 0.00 0.39 0.19 5.55 1.63 -2.05 -0.46 116.57 121.82 2wxn h LYS 110 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2wxn h LYS 110 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2wxn h LYS 110 CO 0.00 0.26 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.95 2wxn h LYS 111 N 0.41 -0.25 -0.41 1.90 1.63 -2.05 -3.03 116.57 114.76 2wxn h LYS 111 Ca 0.42 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.30 2wxn h LYS 111 Cb 1.02 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.62 2wxn h LYS 111 CO -0.14 0.00 -0.47 1.25 -3.45 0.00 0.00 179.45 176.64 2wxn h LEU 112 N -0.48 -1.56 0.21 5.20 5.85 -1.56 -0.58 115.31 122.38 2wxn h LEU 112 Ca -0.03 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2wxn h LEU 112 Cb 0.37 0.67 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2wxn h LEU 112 CO 0.04 -0.38 -0.39 0.40 -0.34 0.00 0.00 178.44 177.77 2wxn h ILE 113 N -0.35 0.20 -0.93 4.05 2.04 -1.36 0.23 117.51 121.39 2wxn h ILE 113 Ca 0.12 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.25 2wxn h ILE 113 Cb 0.59 0.20 -0.16 0.00 -0.74 0.00 0.00 36.82 36.72 2wxn h ILE 113 CO -0.58 0.00 0.24 0.78 0.00 0.00 0.00 178.15 178.59 2wxn h ASN 114 N -0.68 -0.04 0.49 1.72 2.35 -1.34 0.16 115.58 118.25 2wxn h ASN 114 Ca 0.01 0.22 -0.21 0.00 -0.55 0.00 0.00 56.30 55.77 2wxn h ASN 114 Cb 0.67 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2wxn h ASN 114 CO -0.18 -0.24 -0.93 0.77 -1.65 0.00 0.00 177.43 175.21 2wxn h SER 115 N 0.14 0.37 -0.46 5.81 4.64 0.79 -1.83 113.55 123.02 2wxn h SER 115 Ca 0.61 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 2wxn h SER 115 Cb 1.32 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2wxn h SER 115 CO -0.73 1.11 -0.05 1.56 -0.87 0.00 0.00 176.83 177.86 2wxn h GLN 116 N 0.15 0.89 -0.49 4.77 4.20 0.12 -2.25 115.11 122.51 2wxn h GLN 116 Ca -0.06 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 2wxn h GLN 116 Cb 1.56 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 2wxn h GLN 116 CO 0.15 0.92 0.30 0.82 -0.67 0.00 0.00 178.83 180.35 2wxn h ILE 117 N 0.82 1.14 -0.97 2.54 2.04 -0.99 0.11 117.51 122.21 2wxn h ILE 117 Ca 0.15 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2wxn h ILE 117 Cb 0.55 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2wxn h ILE 117 CO 0.03 0.14 0.62 0.28 0.00 0.00 0.00 178.15 179.23 2wxn h SER 118 N 0.65 1.02 -0.13 1.72 0.02 -0.87 0.70 113.55 116.66 2wxn h SER 118 Ca 0.18 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.95 2wxn h SER 118 Cb -0.03 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 2wxn h SER 118 CO -0.03 0.67 -0.59 0.25 -1.14 0.00 0.00 176.83 175.99 2wxn h LEU 119 N 1.17 0.82 -0.48 5.07 5.85 -1.11 -2.88 115.31 123.75 2wxn h LEU 119 Ca 0.40 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2wxn h LEU 119 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2wxn h LEU 119 CO -0.15 1.22 0.23 0.25 -0.34 0.00 0.00 178.44 179.65 2wxn h LEU 120 N 0.55 0.62 -0.61 2.25 5.85 0.15 -3.15 115.31 120.97 2wxn h LEU 120 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2wxn h LEU 120 Cb 1.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2wxn h LEU 120 CO 0.12 0.58 -0.28 2.30 -0.34 0.00 0.00 178.44 180.82 2wxn n ILE 121 N -4.63 0.00 -1.54 4.05 -5.35 -0.36 -4.94 119.36 106.59 2wxn n ILE 121 Ca 0.01 -0.16 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 2wxn n ILE 121 Cb 0.12 0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 2wxn n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxn n GLY 122 N 1.35 1.01 3.24 3.28 0.00 -1.10 -4.95 105.19 108.02 2wxn n GLY 122 Ca 0.12 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 2wxn n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxn s LYS 123 N -3.37 0.66 0.03 1.61 2.20 -1.16 -5.06 119.74 114.65 2wxn s LYS 123 Ca 0.00 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.33 2wxn s LYS 123 Cb 0.00 0.29 -0.06 0.00 -1.51 0.00 0.00 37.83 36.55 2wxn s LYS 123 CO 0.00 -0.18 0.44 0.20 -0.36 0.00 0.00 175.35 175.45 2wxn s GLY 124 N -1.20 2.49 0.54 5.54 0.00 -1.26 -4.44 107.32 108.98 2wxn s GLY 124 Ca -0.12 -0.20 0.25 0.00 0.00 0.00 0.00 44.72 44.64 2wxn s GLY 124 CO 0.04 0.15 2.15 1.41 0.00 0.00 0.00 173.10 176.85 2wxn h LEU 125 N 4.47 0.00 -1.44 0.66 3.38 -1.90 -0.67 115.31 119.80 2wxn h LEU 125 Ca -0.51 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.51 2wxn h LEU 125 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2wxn h LEU 125 CO 0.63 0.06 0.42 1.12 0.09 0.00 0.00 178.44 180.76 2wxn h HIS 126 N 0.00 0.69 0.00 1.13 2.07 -1.98 -0.29 115.15 116.77 2wxn h HIS 126 Ca -0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2wxn h HIS 126 Cb 0.14 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 29.89 2wxn h HIS 126 CO 0.00 0.39 0.00 0.93 -3.07 0.00 0.00 177.93 176.18 2wxn h GLU 127 N 0.71 0.00 0.04 5.12 5.08 -1.52 -1.90 114.58 122.11 2wxn h GLU 127 Ca 0.26 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.35 2wxn h GLU 127 Cb 0.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.42 2wxn h GLU 127 CO -0.08 0.00 -1.09 0.74 -1.00 0.00 0.00 179.01 177.58 2wxn h PHE 128 N 0.00 0.89 -0.05 4.33 0.04 -1.18 -3.34 116.94 117.63 2wxn h PHE 128 Ca 0.00 -0.52 -0.03 0.00 2.80 0.00 0.00 57.97 60.22 2wxn h PHE 128 Cb 0.20 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2wxn h PHE 128 CO 0.00 1.36 -0.10 -0.44 -0.60 0.00 0.00 178.31 178.52 2wxn h ASP 129 N 0.30 0.18 -1.64 2.17 3.32 -1.50 -3.25 116.42 116.01 2wxn h ASP 129 Ca -0.13 -0.56 0.50 0.00 0.02 0.00 0.00 57.03 56.86 2wxn h ASP 129 Cb 1.75 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 41.15 2wxn h ASP 129 CO 0.20 0.71 1.14 -1.20 -1.72 0.00 0.00 179.24 178.37 2wxn n SER 130 N -4.67 0.08 0.17 6.45 7.64 -0.75 0.19 113.62 122.74 2wxn n SER 130 Ca -0.08 1.09 0.03 0.00 1.01 0.00 0.00 58.87 60.92 2wxn n SER 130 Cb 0.35 -0.54 0.30 0.00 -1.01 0.00 0.00 64.21 63.31 2wxn n SER 130 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wxn h LEU 131 N 0.00 0.00 -1.26 -3.43 3.38 -1.67 -3.47 115.31 108.85 2wxn h LEU 131 Ca 0.86 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.45 2wxn h LEU 131 Cb 3.20 0.00 0.13 0.00 0.09 0.00 0.00 40.66 44.08 2wxn h LEU 131 CO -0.19 0.44 -0.74 0.54 0.09 0.00 0.00 178.44 178.59 2wxn n ARG 132 N -3.68 -6.97 -3.93 1.13 5.12 0.13 -4.99 116.66 103.48 2wxn n ARG 132 Ca -0.01 0.80 -0.35 0.00 -1.93 0.00 0.00 57.85 56.37 2wxn n ARG 132 Cb 0.52 -5.78 -0.14 0.00 -1.16 0.00 0.00 32.46 25.90 2wxn n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxn s ASP 133 N -3.83 4.84 0.36 0.55 2.15 -1.26 -5.02 116.67 114.46 2wxn s ASP 133 Ca 0.31 -1.31 0.27 0.00 0.43 0.00 0.00 52.55 52.25 2wxn s ASP 133 Cb -0.14 -1.69 1.07 0.00 -0.30 0.00 0.00 42.92 41.86 2wxn s ASP 133 CO 0.75 -0.26 1.80 1.55 -0.17 0.00 0.00 175.17 178.84 2wxn h PRO 134 N 7.97 0.00 -0.29 4.34 0.13 -1.98 -1.35 132.00 140.81 2wxn h PRO 134 Ca -0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2wxn h PRO 134 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2wxn h PRO 134 CO 0.53 0.00 -0.28 1.49 -0.23 0.00 0.00 178.00 179.50 2wxn h GLU 135 N 0.00 0.71 -0.75 0.86 4.81 -1.98 0.38 114.58 118.62 2wxn h GLU 135 Ca 0.00 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2wxn h GLU 135 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2wxn h GLU 135 CO 0.00 0.99 0.29 0.28 -0.73 0.00 0.00 179.01 179.84 2wxn h VAL 136 N 0.46 1.25 0.33 0.32 2.07 -1.84 -0.40 116.25 118.44 2wxn h VAL 136 Ca 0.05 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2wxn h VAL 136 Cb 0.85 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wxn h VAL 136 CO 0.07 0.32 -0.16 0.78 0.02 0.00 0.00 177.57 178.61 2wxn h ASN 137 N 1.09 -0.37 -0.15 0.57 4.21 -0.69 0.60 115.58 120.84 2wxn h ASN 137 Ca 0.25 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 2wxn h ASN 137 Cb 0.21 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 2wxn h ASN 137 CO -0.02 -0.19 0.07 0.44 -1.29 0.00 0.00 177.43 176.44 2wxn h ASP 138 N -0.54 0.21 -0.31 5.81 3.32 -0.22 0.11 116.42 124.79 2wxn h ASP 138 Ca -0.05 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 56.93 2wxn h ASP 138 Cb 0.40 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 2wxn h ASP 138 CO 0.07 0.29 -0.28 0.15 -1.72 0.00 0.00 179.24 177.76 2wxn h PHE 139 N 0.11 -0.75 -0.52 4.55 3.57 -1.05 0.29 116.94 123.15 2wxn h PHE 139 Ca 0.05 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.68 2wxn h PHE 139 Cb 0.14 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2wxn h PHE 139 CO -0.02 -0.35 0.35 0.00 -2.23 0.00 0.00 178.31 176.06 2wxn h ARG 140 N -0.25 0.37 0.21 1.11 3.08 -0.29 -0.24 114.38 118.38 2wxn h ARG 140 Ca 0.15 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2wxn h ARG 140 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2wxn h ARG 140 CO -0.45 0.25 -0.10 1.15 -1.07 0.00 0.00 179.97 179.74 2wxn h THR 141 N 0.38 0.00 -0.46 2.04 2.02 0.86 -2.86 112.91 114.90 2wxn h THR 141 Ca 0.23 -0.60 0.07 0.00 0.77 0.00 0.00 66.41 66.88 2wxn h THR 141 Cb 0.42 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 2wxn h THR 141 CO -0.06 0.00 0.12 0.50 0.37 0.00 0.00 175.52 176.45 2wxn h LYS 142 N -0.89 0.26 -0.39 6.66 1.63 -0.41 -2.46 116.57 120.97 2wxn h LYS 142 Ca -0.03 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.64 2wxn h LYS 142 Cb 0.22 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2wxn h LYS 142 CO 0.05 0.17 -0.23 0.52 -3.45 0.00 0.00 179.45 176.51 2wxn h MET 143 N 0.26 0.77 -0.24 1.90 2.86 -1.19 -1.74 114.93 117.56 2wxn h MET 143 Ca 0.22 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2wxn h MET 143 Cb 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2wxn h MET 143 CO -0.27 0.93 0.11 -0.09 1.06 0.00 0.00 176.91 178.64 2wxn h ARG 144 N 0.67 0.23 0.81 1.72 2.43 -1.26 -1.03 114.38 117.94 2wxn h ARG 144 Ca 0.09 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2wxn h ARG 144 Cb 0.74 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wxn h ARG 144 CO 0.06 0.15 -0.47 0.37 -1.51 0.00 0.00 179.97 178.57 2wxn h GLN 145 N 0.23 -1.14 -0.67 0.20 4.15 -1.28 0.10 115.11 116.71 2wxn h GLN 145 Ca 0.10 0.08 0.13 0.00 0.77 0.00 0.00 58.65 59.73 2wxn h GLN 145 Cb 0.04 0.26 -0.13 0.00 0.21 0.00 0.00 27.48 27.86 2wxn h GLN 145 CO -0.08 -0.76 -0.19 0.35 -1.93 0.00 0.00 178.83 176.22 2wxn h PHE 146 N -1.18 -0.44 -0.77 3.99 3.57 -1.33 -0.23 116.94 120.55 2wxn h PHE 146 Ca -0.11 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2wxn h PHE 146 Cb 0.93 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 2wxn h PHE 146 CO -0.07 -0.31 0.34 0.00 -2.23 0.00 0.00 178.31 176.04 2wxn h GLU 148 N 1.10 1.19 0.00 0.00 5.08 0.54 -1.28 114.58 121.22 2wxn h GLU 148 Ca 0.26 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wxn h GLU 148 Cb 0.17 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2wxn h GLU 148 CO -0.03 0.97 -0.02 0.93 -1.00 0.00 0.00 179.01 179.86 2wxn h GLU 149 N 1.16 0.00 -0.16 2.33 5.08 -0.76 -1.61 114.58 120.62 2wxn h GLU 149 Ca 0.26 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2wxn h GLU 149 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2wxn h GLU 149 CO -0.02 0.02 -0.54 0.00 -1.00 0.00 0.00 179.01 177.48 2wxn h ALA 150 N 1.98 0.77 -0.01 3.43 0.00 -0.57 -3.05 119.26 121.81 2wxn h ALA 150 Ca -0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2wxn h ALA 150 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wxn h ALA 150 CO 0.00 0.69 -0.69 0.00 0.00 0.00 0.00 179.25 179.25 2wxn h ALA 151 N 1.06 0.83 -0.06 0.00 0.00 -0.93 -2.87 119.26 117.29 2wxn h ALA 151 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.33 2wxn h ALA 151 Cb 1.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wxn h ALA 151 CO 0.10 0.84 -0.14 0.00 0.00 0.00 0.00 179.25 180.04 2wxn h ALA 152 N 1.26 -0.12 -0.93 0.00 0.00 -1.30 -2.26 119.26 115.91 2wxn h ALA 152 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wxn h ALA 152 Cb 1.22 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2wxn h ALA 152 CO 0.09 -0.62 0.60 1.25 0.00 0.00 0.00 179.25 180.58 2wxn h HIS 153 N -0.21 1.12 -0.41 0.00 6.17 -1.53 -2.78 115.15 117.51 2wxn h HIS 153 Ca 0.07 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.12 2wxn h HIS 153 Cb 0.30 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 29.84 2wxn h HIS 153 CO -0.23 0.60 0.01 -0.09 0.71 0.00 0.00 177.93 178.94 2wxn h ARG 154 N 1.12 0.65 0.00 5.26 2.43 -1.19 -2.53 114.38 120.13 2wxn h ARG 154 Ca 0.39 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2wxn h ARG 154 Cb 0.10 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2wxn h ARG 154 CO -0.15 0.66 0.00 1.04 -1.51 0.00 0.00 179.97 180.01 2wxn n GLN 155 N -4.25 0.86 -0.00 0.20 1.13 -0.99 -2.74 117.38 111.59 2wxn n GLN 155 Ca 0.02 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.15 2wxn n GLN 155 Cb 0.26 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 2wxn n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxn n GLN 156 N -1.03 1.89 -1.46 -1.09 10.64 -0.96 -5.01 117.38 120.35 2wxn n GLN 156 Ca 0.21 -0.02 -0.54 0.00 -1.83 0.00 0.00 57.00 54.83 2wxn n GLN 156 Cb 0.12 -1.22 -0.06 0.00 -0.86 0.00 0.00 30.24 28.22 2wxn n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxn n LEU 157 N -1.43 -0.46 -4.65 2.61 4.77 -1.11 -4.95 117.00 111.78 2wxn n LEU 157 Ca 0.02 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.83 2wxn n LEU 157 Cb 0.25 -0.95 0.16 0.00 -2.33 0.00 0.00 43.42 40.55 2wxn n LEU 157 CO 0.30 -2.35 0.62 0.61 -1.33 0.00 0.00 177.39 175.25 2wxn n GLY 158 N 1.75 -0.48 0.33 -0.72 0.00 -1.26 -4.60 105.19 100.20 2wxn n GLY 158 Ca 0.19 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 2wxn n GLY 158 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2wxn h TRP 159 N -1.69 1.07 -0.46 1.61 5.08 -1.94 0.39 115.95 120.02 2wxn h TRP 159 Ca -0.44 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.49 2wxn h TRP 159 Cb 1.28 -0.36 -0.02 0.00 -3.00 0.00 0.00 29.16 27.06 2wxn h TRP 159 CO 0.48 0.69 0.02 0.28 -1.28 0.00 0.00 178.44 178.63 2wxn h VAL 160 N 1.14 1.23 -0.20 0.12 2.07 -1.98 -0.95 116.25 117.69 2wxn h VAL 160 Ca 0.31 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.73 2wxn h VAL 160 Cb -0.11 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2wxn h VAL 160 CO -0.06 0.33 -0.55 -0.33 0.02 0.00 0.00 177.57 176.98 2wxn h GLU 161 N 0.70 0.60 -0.76 1.57 5.08 -1.53 -1.74 114.58 118.49 2wxn h GLU 161 Ca 0.14 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2wxn h GLU 161 Cb 0.40 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2wxn h GLU 161 CO 0.01 0.99 0.50 2.35 -1.00 0.00 0.00 179.01 181.86 2wxn h TRP 162 N 0.46 0.94 -0.78 4.33 2.91 0.05 -2.34 115.95 121.51 2wxn h TRP 162 Ca 0.01 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 2wxn h TRP 162 Cb 1.10 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.40 2wxn h TRP 162 CO 0.05 0.57 0.38 -0.07 -1.03 0.00 0.00 178.44 178.34 2wxn h LEU 163 N 1.00 1.01 -1.71 0.65 3.38 -0.74 -1.44 115.31 117.45 2wxn h LEU 163 Ca 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2wxn h LEU 163 Cb -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 2wxn h LEU 163 CO -0.08 0.85 -0.11 1.56 0.09 0.00 0.00 178.44 180.75 2wxn h GLN 164 N 1.11 0.00 0.10 1.13 4.20 -1.05 0.11 115.11 120.70 2wxn h GLN 164 Ca 0.27 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.84 2wxn h GLN 164 Cb 0.10 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.90 2wxn h GLN 164 CO -0.04 0.11 -0.60 -0.92 -0.67 0.00 0.00 178.83 176.72 2wxn h TYR 165 N 0.00 0.41 0.02 2.96 3.20 -0.80 -3.36 116.97 119.41 2wxn h TYR 165 Ca -0.00 -0.29 -0.38 0.00 3.14 0.00 0.00 58.73 61.20 2wxn h TYR 165 Cb 0.45 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 2wxn h TYR 165 CO 0.00 1.22 -2.34 0.45 -1.64 0.00 0.00 178.16 175.85 2wxn n SER 166 N -4.25 1.43 -3.31 -2.11 2.88 -0.63 0.10 113.62 107.73 2wxn n SER 166 Ca -0.13 -0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 2wxn n SER 166 Cb 0.73 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 2wxn n SER 166 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wxn n PHE 167 N -3.15 2.59 -1.77 0.66 3.72 0.35 -4.65 117.46 115.20 2wxn n PHE 167 Ca -0.39 -3.98 -0.36 0.00 -0.05 0.00 0.00 57.45 52.67 2wxn n PHE 167 Cb 1.04 -0.50 0.06 0.00 -0.94 0.00 0.00 39.48 39.15 2wxn n PHE 167 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2wxn s PRO 168 N -2.27 2.61 0.39 -1.08 0.02 -1.24 -4.55 135.00 128.88 2wxn s PRO 168 Ca 0.40 1.91 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 2wxn s PRO 168 Cb 0.18 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 2wxn s PRO 168 CO -0.05 -1.51 1.34 -0.51 -0.33 0.00 0.00 177.00 175.94 2wxn s LEU 169 N -4.44 4.27 -0.40 -5.54 1.43 -1.26 -4.88 118.68 107.86 2wxn s LEU 169 Ca 0.79 2.74 -0.02 0.00 -1.03 0.00 0.00 54.13 56.61 2wxn s LEU 169 Cb -0.33 -3.82 0.11 0.00 0.03 0.00 0.00 46.19 42.18 2wxn s LEU 169 CO 0.38 -0.81 0.18 -1.10 0.23 0.00 0.00 176.35 175.23 2wxn s GLN 170 N -2.14 1.90 0.20 1.70 -0.21 -1.26 -5.07 119.66 114.78 2wxn s GLN 170 Ca 0.55 -1.83 0.08 0.00 0.02 0.00 0.00 55.36 54.18 2wxn s GLN 170 Cb -0.40 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 2wxn s GLN 170 CO 0.52 -1.05 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.11 2wxn s LEU 171 N 1.09 3.20 0.27 2.90 1.43 -1.26 -0.34 118.68 125.97 2wxn s LEU 171 Ca 0.09 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 2wxn s LEU 171 Cb -0.22 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 2wxn s LEU 171 CO -0.05 0.07 1.17 -1.61 0.23 0.00 0.00 176.35 176.16 2wxn s GLU 172 N -3.09 4.54 0.27 1.70 0.41 0.18 -4.61 118.70 118.11 2wxn s GLU 172 Ca 0.28 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.75 2wxn s GLU 172 Cb -0.08 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 2wxn s GLU 172 CO 0.18 0.05 0.69 -2.30 -0.49 0.00 0.00 175.26 173.39 2wxn n PRO 173 N 1.42 0.01 0.00 0.39 -0.02 -1.26 -5.01 135.00 130.53 2wxn n PRO 173 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2wxn n PRO 173 Cb 0.44 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2wxn n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxn n ASN 187 N -1.58 0.00 -4.01 2.55 4.05 -1.26 -4.84 115.26 110.17 2wxn n ASN 187 Ca 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.89 2wxn n ASN 187 Cb 0.69 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.57 2wxn n ASN 187 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2wxn s ARG 188 N 0.00 0.45 0.06 1.20 3.00 -1.26 -5.02 118.95 117.38 2wxn s ARG 188 Ca 0.00 -0.47 -0.14 0.00 -1.00 0.00 0.00 55.73 54.12 2wxn s ARG 188 Cb 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 34.95 34.57 2wxn s ARG 188 CO 0.00 0.07 0.45 0.00 0.00 0.00 0.00 175.30 175.82 2wxn s ALA 189 N -0.78 3.67 0.08 6.12 0.00 -1.26 -0.57 121.76 129.03 2wxn s ALA 189 Ca -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2wxn s ALA 189 Cb -0.06 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 2wxn s ALA 189 CO 0.00 0.49 0.11 -0.48 0.00 0.00 0.00 175.76 175.88 2wxn s LEU 190 N -1.48 1.80 -0.12 0.00 2.34 0.16 -4.88 118.68 116.50 2wxn s LEU 190 Ca 0.29 -0.84 -0.02 0.00 0.06 0.00 0.00 54.13 53.62 2wxn s LEU 190 Cb -0.16 0.69 -0.03 0.00 -0.56 0.00 0.00 46.19 46.13 2wxn s LEU 190 CO 0.16 -0.70 -0.04 -0.76 -1.06 0.00 0.00 176.35 173.96 2wxn s LEU 191 N -2.91 3.31 -0.03 1.48 1.43 -1.26 -0.60 118.68 120.10 2wxn s LEU 191 Ca 0.08 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2wxn s LEU 191 Cb 0.06 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2wxn s LEU 191 CO -0.09 0.27 -0.07 -0.69 0.23 0.00 0.00 176.35 176.00 2wxn s VAL 192 N -0.22 0.64 -0.20 -1.59 1.01 -0.64 -3.73 120.40 115.66 2wxn s VAL 192 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 2wxn s VAL 192 Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2wxn s VAL 192 CO 0.02 0.21 0.36 0.21 0.00 0.00 0.00 175.10 175.90 2wxn s ASN 193 N 0.31 6.41 0.25 3.32 3.04 -0.66 -1.21 114.94 126.39 2wxn s ASN 193 Ca -0.04 0.48 0.12 0.00 0.04 0.00 0.00 52.86 53.45 2wxn s ASN 193 Cb -0.09 -2.21 -0.05 0.00 -1.54 0.00 0.00 41.25 37.36 2wxn s ASN 193 CO 0.00 -0.03 -0.19 -0.69 -3.04 0.00 0.00 177.10 173.14 2wxn s VAL 194 N 1.14 2.54 0.19 -5.21 1.01 -0.52 -1.09 120.40 118.46 2wxn s VAL 194 Ca 0.18 -2.23 -0.21 0.00 0.00 0.00 0.00 61.98 59.71 2wxn s VAL 194 Cb -0.14 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2wxn s VAL 194 CO 0.07 -0.30 0.61 -1.59 0.00 0.00 0.00 175.10 173.89 2wxn s LYS 195 N -3.24 1.42 0.38 2.72 -2.85 -0.79 -1.60 119.74 115.78 2wxn s LYS 195 Ca 0.27 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.63 2wxn s LYS 195 Cb -0.06 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 2wxn s LYS 195 CO 0.14 -0.62 0.45 -0.06 0.10 0.00 0.00 175.35 175.35 2wxn s PHE 196 N -3.82 2.88 0.01 1.78 0.08 -1.26 -0.77 117.98 116.89 2wxn s PHE 196 Ca 0.05 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 2wxn s PHE 196 Cb -0.02 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.24 2wxn s PHE 196 CO -0.06 -0.14 1.03 1.49 -0.10 0.00 0.00 175.22 177.45 2wxn h GLU 197 N 0.91 -0.43 -1.20 0.44 4.81 -1.95 -3.28 114.58 113.88 2wxn h GLU 197 Ca -0.43 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2wxn h GLU 197 Cb 1.27 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2wxn h GLU 197 CO 0.52 -0.28 0.00 0.41 -0.73 0.00 0.00 179.01 178.93 2wxn n GLY 198 N -0.78 1.98 3.29 1.92 0.00 -1.26 -4.77 105.19 105.57 2wxn n GLY 198 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2wxn n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxn s SER 199 N 1.15 -0.17 0.00 1.61 0.15 -1.24 -5.04 113.70 110.17 2wxn s SER 199 Ca 0.00 -0.32 0.21 0.00 0.70 0.00 0.00 55.95 56.54 2wxn s SER 199 Cb 0.00 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 2wxn s SER 199 CO 0.00 -0.78 1.07 -0.62 1.20 0.00 0.00 173.24 174.11 2wxn n GLU 200 N -0.01 1.57 -2.93 5.44 1.02 -1.26 -4.58 120.64 119.88 2wxn n GLU 200 Ca -0.16 -1.20 -0.41 0.00 -0.02 0.00 0.00 57.16 55.36 2wxn n GLU 200 Cb 0.63 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.59 2wxn n GLU 200 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wxn s GLU 201 N -2.15 4.45 0.15 3.49 2.02 -1.26 -5.04 118.70 120.37 2wxn s GLU 201 Ca 0.19 1.05 0.07 0.00 0.02 0.00 0.00 54.97 56.30 2wxn s GLU 201 Cb 0.17 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2wxn s GLU 201 CO 0.44 -0.02 -0.14 -1.54 0.02 0.00 0.00 175.26 174.02 2wxn s SER 202 N 0.91 2.22 0.12 -0.19 1.04 -1.26 -4.27 113.70 112.26 2wxn s SER 202 Ca 0.42 -0.90 0.09 0.00 0.48 0.00 0.00 55.95 56.03 2wxn s SER 202 Cb -0.18 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2wxn s SER 202 CO 0.20 -0.16 -0.21 -0.36 0.98 0.00 0.00 173.24 173.69 2wxn s PHE 203 N -2.52 1.85 -0.31 5.02 0.08 -0.63 -4.99 117.98 116.49 2wxn s PHE 203 Ca 0.15 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2wxn s PHE 203 Cb -0.03 -0.99 0.08 0.00 -0.57 0.00 0.00 43.02 41.50 2wxn s PHE 203 CO 0.04 0.25 -0.01 0.99 -0.10 0.00 0.00 175.22 176.39 2wxn s THR 204 N -1.33 2.47 0.07 0.64 2.01 -1.26 -1.44 115.64 116.80 2wxn s THR 204 Ca 0.09 -1.87 -0.12 0.00 0.31 0.00 0.00 61.69 60.11 2wxn s THR 204 Cb -0.09 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 2wxn s THR 204 CO 0.05 -0.30 0.43 -0.36 -0.69 0.00 0.00 174.62 173.75 2wxn s PHE 205 N 1.07 3.63 -0.17 4.92 0.08 -0.35 -4.90 117.98 122.25 2wxn s PHE 205 Ca -0.00 0.90 -0.16 0.00 0.12 0.00 0.00 56.93 57.78 2wxn s PHE 205 Cb -0.20 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 2wxn s PHE 205 CO -0.05 0.54 0.41 -1.14 -0.10 0.00 0.00 175.22 174.88 2wxn s GLN 206 N -1.69 4.23 0.36 0.44 0.74 -1.26 -1.62 119.66 120.86 2wxn s GLN 206 Ca 0.31 0.27 0.07 0.00 0.05 0.00 0.00 55.36 56.06 2wxn s GLN 206 Cb -0.15 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 2wxn s GLN 206 CO 0.17 0.05 0.24 0.14 -0.55 0.00 0.00 175.29 175.34 2wxn s VAL 207 N 1.03 0.15 -0.10 1.34 -7.23 0.23 -4.97 120.40 110.84 2wxn s VAL 207 Ca 0.21 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 2wxn s VAL 207 Cb -0.15 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2wxn s VAL 207 CO 0.08 0.00 0.19 -0.55 -0.31 0.00 0.00 175.10 174.51 2wxn s SER 208 N -3.46 6.46 0.62 4.85 0.15 -1.26 0.35 113.70 121.42 2wxn s SER 208 Ca 0.35 0.55 0.29 0.00 0.70 0.00 0.00 55.95 57.84 2wxn s SER 208 Cb 0.02 -2.10 1.54 0.00 -1.71 0.00 0.00 66.02 63.76 2wxn s SER 208 CO 0.24 0.39 1.91 0.71 1.20 0.00 0.00 173.24 177.69 2wxn h THR 209 N 3.96 0.21 0.00 6.45 1.35 -1.17 -1.82 112.91 121.89 2wxn h THR 209 Ca -0.54 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.21 2wxn h THR 209 Cb 1.23 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2wxn h THR 209 CO 0.59 0.00 -0.51 0.07 -0.25 0.00 0.00 175.52 175.42 2wxn h LYS 210 N 0.00 0.00 -6.89 4.72 2.10 -1.94 -2.39 116.57 112.17 2wxn h LYS 210 Ca 0.11 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.23 2wxn h LYS 210 Cb 0.92 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.35 2wxn h LYS 210 CO -0.00 0.51 0.82 -0.51 -2.00 0.00 0.00 179.45 178.27 2wxn s ASP 211 N -6.50 6.35 0.63 7.07 1.01 -0.68 -4.29 116.67 120.27 2wxn s ASP 211 Ca 0.02 3.01 -0.16 0.00 0.71 0.00 0.00 52.55 56.13 2wxn s ASP 211 Cb 0.10 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2wxn s ASP 211 CO 0.73 -0.89 1.12 -0.04 0.21 0.00 0.00 175.17 176.30 2wxn s MET 212 N -1.47 2.91 0.34 8.23 -1.94 -1.26 -0.65 119.30 125.46 2wxn s MET 212 Ca 0.57 1.47 0.13 0.00 -1.71 0.00 0.00 55.69 56.15 2wxn s MET 212 Cb -0.47 -1.96 1.01 0.00 2.01 0.00 0.00 34.83 35.42 2wxn s MET 212 CO 0.57 -1.18 1.71 -1.35 -0.01 0.00 0.00 175.02 174.76 2wxn h PRO 213 N 0.32 0.43 -0.57 2.03 0.11 -1.78 -1.03 132.00 131.51 2wxn h PRO 213 Ca -0.48 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2wxn h PRO 213 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2wxn h PRO 213 CO 0.55 0.29 0.38 1.25 -0.21 0.00 0.00 178.00 180.25 2wxn h LEU 214 N 0.45 0.60 -0.66 2.35 5.85 -1.92 -1.54 115.31 120.44 2wxn h LEU 214 Ca 0.68 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.36 2wxn h LEU 214 Cb 1.48 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 2wxn h LEU 214 CO -0.50 0.42 0.28 0.00 -0.34 0.00 0.00 178.44 178.31 2wxn h ALA 215 N 1.66 0.85 -0.10 1.25 0.00 -1.55 -1.43 119.26 119.94 2wxn h ALA 215 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wxn h ALA 215 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2wxn h ALA 215 CO -0.06 0.45 0.05 1.25 0.00 0.00 0.00 179.25 180.94 2wxn h LEU 216 N 0.92 0.12 -1.84 0.00 6.46 -1.41 -2.53 115.31 117.03 2wxn h LEU 216 Ca 0.22 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2wxn h LEU 216 Cb 0.17 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2wxn h LEU 216 CO -0.02 0.17 0.10 0.24 -0.62 0.00 0.00 178.44 178.31 2wxn h MET 217 N 0.07 0.21 -0.18 1.25 2.86 -0.90 -0.34 114.93 117.89 2wxn h MET 217 Ca 0.03 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 2wxn h MET 217 Cb 0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2wxn h MET 217 CO -0.01 0.14 -0.58 0.00 1.06 0.00 0.00 176.91 177.53 2wxn h ALA 218 N 1.90 0.65 0.67 6.32 0.00 -1.04 -2.55 119.26 125.21 2wxn h ALA 218 Ca 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2wxn h ALA 218 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wxn h ALA 218 CO -0.01 0.70 -0.46 0.00 0.00 0.00 0.00 179.25 179.47 2wxn h ALA 220 N -0.91 -0.26 -0.44 0.00 0.00 -1.22 0.98 119.26 117.41 2wxn h ALA 220 Ca -0.08 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2wxn h ALA 220 Cb 0.88 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2wxn h ALA 220 CO 0.06 -0.78 -0.02 -0.07 0.00 0.00 0.00 179.25 178.43 2wxn h LEU 221 N -0.24 0.70 -0.46 0.00 3.38 -1.39 0.15 115.31 117.44 2wxn h LEU 221 Ca 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wxn h LEU 221 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2wxn h LEU 221 CO -0.63 0.79 0.30 0.03 0.09 0.00 0.00 178.44 179.02 2wxn h ARG 222 N 0.68 0.59 -0.70 1.13 3.08 -0.24 0.28 114.38 119.20 2wxn h ARG 222 Ca 0.13 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2wxn h ARG 222 Cb 0.46 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2wxn h ARG 222 CO 0.02 0.39 0.46 0.87 -1.07 0.00 0.00 179.97 180.64 2wxn h LYS 223 N 0.61 0.92 0.09 0.04 1.79 0.05 -2.67 116.57 117.40 2wxn h LYS 223 Ca 0.17 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2wxn h LYS 223 Cb -0.05 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.39 2wxn h LYS 223 CO -0.05 0.62 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.67 2wxn h LYS 224 N 0.95 -0.12 0.00 3.15 3.64 -0.40 -2.36 116.57 121.43 2wxn h LYS 224 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wxn h LYS 224 Cb -0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2wxn h LYS 224 CO -0.05 -0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.12 2wxn n ALA 225 N -2.19 1.22 -0.11 5.00 0.00 0.95 -1.08 120.51 124.31 2wxn n ALA 225 Ca -0.08 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 2wxn n ALA 225 Cb 0.11 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 2wxn n ALA 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wxn n THR 226 N -1.69 1.51 0.14 0.00 -2.24 -1.01 0.16 114.28 111.15 2wxn n THR 226 Ca 0.01 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2wxn n THR 226 Cb 0.07 -2.09 0.51 0.00 -2.10 0.00 0.00 70.33 66.72 2wxn n THR 226 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wxn h VAL 227 N -1.00 1.08 -0.50 2.28 2.07 -1.43 -1.61 116.25 117.14 2wxn h VAL 227 Ca -0.38 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2wxn h VAL 227 Cb 1.26 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2wxn h VAL 227 CO -0.23 0.09 0.00 0.33 0.02 0.00 0.00 177.57 177.79 2wxn n PHE 228 N -4.45 0.65 -4.05 1.57 7.35 -0.24 -5.00 117.46 113.30 2wxn n PHE 228 Ca -0.00 -0.34 -0.32 0.00 -0.76 0.00 0.00 57.45 56.03 2wxn n PHE 228 Cb 0.12 -0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.95 2wxn n PHE 228 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2wxn n ARG 229 N 1.51 -4.15 -1.25 -4.13 1.74 -0.61 -4.94 116.66 104.83 2wxn n ARG 229 Ca 0.21 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2wxn n ARG 229 Cb 0.60 -5.17 0.00 0.00 -1.02 0.00 0.00 32.46 26.87 2wxn n ARG 229 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2wxn n GLN 230 N -4.50 -3.55 0.00 5.56 7.27 0.42 -4.96 117.38 117.62 2wxn n GLN 230 Ca -0.01 2.62 0.00 0.00 0.07 0.00 0.00 57.00 59.68 2wxn n GLN 230 Cb 0.54 -2.92 0.00 0.00 2.41 0.00 0.00 30.24 30.27 2wxn n GLN 230 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2wxn n GLN 235 N -0.51 0.00 -0.17 3.69 -0.06 -1.26 -5.02 117.38 114.05 2wxn n GLN 235 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 2wxn n GLN 235 Cb 0.00 0.00 0.08 0.00 -4.06 0.00 0.00 30.24 26.26 2wxn n GLN 235 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2wxn h PRO 236 N 0.00 0.23 0.00 3.69 0.11 -1.94 -2.93 132.00 131.16 2wxn h PRO 236 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wxn h PRO 236 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2wxn h PRO 236 CO 0.00 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.33 2wxn n GLU 237 N -5.12 0.15 0.00 1.05 4.71 -1.26 -2.27 120.64 117.91 2wxn n GLU 237 Ca 0.06 0.15 0.14 0.00 -0.01 0.00 0.00 57.16 57.50 2wxn n GLU 237 Cb 0.27 -1.50 0.82 0.00 -1.01 0.00 0.00 31.44 30.02 2wxn n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxn n GLU 238 N -1.20 0.87 -4.21 3.49 -0.58 -1.11 -4.88 120.64 113.02 2wxn n GLU 238 Ca 0.04 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.60 2wxn n GLU 238 Cb 0.05 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.31 2wxn n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxn s TYR 239 N -2.00 1.32 0.17 -0.32 2.02 -0.96 0.49 117.35 118.07 2wxn s TYR 239 Ca 0.41 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 2wxn s TYR 239 Cb 0.19 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2wxn s TYR 239 CO 0.32 0.10 -0.15 0.00 -1.57 0.00 0.00 175.55 174.25 2wxn s ALA 240 N -1.63 1.87 -0.23 3.71 0.00 -0.38 -4.99 121.76 120.12 2wxn s ALA 240 Ca 0.03 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 2wxn s ALA 240 Cb -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2wxn s ALA 240 CO 0.03 0.11 0.13 -0.51 0.00 0.00 0.00 175.76 175.51 2wxn s LEU 241 N -2.96 3.95 0.02 0.00 1.43 -1.06 -0.52 118.68 119.55 2wxn s LEU 241 Ca 0.18 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2wxn s LEU 241 Cb -0.03 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2wxn s LEU 241 CO 0.06 0.06 0.47 -1.58 0.23 0.00 0.00 176.35 175.59 2wxn s GLN 242 N 1.08 4.05 -0.01 1.70 0.74 0.90 -0.70 119.66 127.41 2wxn s GLN 242 Ca 0.06 0.54 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 2wxn s GLN 242 Cb -0.14 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 2wxn s GLN 242 CO 0.04 0.65 1.33 0.08 -0.55 0.00 0.00 175.29 176.84 2wxn s VAL 243 N -1.01 3.88 0.15 1.34 1.01 0.16 -0.72 120.40 125.22 2wxn s VAL 243 Ca 0.26 1.26 -0.34 0.00 0.00 0.00 0.00 61.98 63.16 2wxn s VAL 243 Cb -0.18 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 2wxn s VAL 243 CO 0.15 0.00 1.59 0.59 0.00 0.00 0.00 175.10 177.44 2wxn n ASN 244 N 5.23 3.12 -0.16 3.32 3.02 -0.74 -2.18 115.26 126.86 2wxn n ASN 244 Ca 0.12 1.08 -0.02 0.00 -0.03 0.00 0.00 54.58 55.73 2wxn n ASN 244 Cb 0.44 -1.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.18 2wxn n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wxn n GLY 245 N 3.47 0.45 3.24 7.41 0.00 -1.24 -4.47 105.19 114.05 2wxn n GLY 245 Ca 0.17 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 2wxn n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxn s ARG 246 N -1.35 1.02 -1.44 1.61 0.52 -0.93 -4.21 118.95 114.17 2wxn s ARG 246 Ca 0.00 -1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 53.82 2wxn s ARG 246 Cb 0.00 -0.82 0.05 0.00 0.52 0.00 0.00 34.95 34.69 2wxn s ARG 246 CO 0.00 0.15 2.36 0.72 0.02 0.00 0.00 175.30 178.55 2wxn n HIS 247 N 0.38 2.99 -3.75 -0.53 8.25 0.73 -4.62 115.22 118.67 2wxn n HIS 247 Ca -0.14 -2.95 -0.13 0.00 -0.26 0.00 0.00 57.72 54.24 2wxn n HIS 247 Cb 0.58 -2.31 -0.13 0.00 1.12 0.00 0.00 29.99 29.24 2wxn n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxn s GLU 248 N 1.72 0.17 0.05 -0.41 2.12 -1.26 -4.58 118.70 116.50 2wxn s GLU 248 Ca 0.52 0.43 0.05 0.00 0.36 0.00 0.00 54.97 56.33 2wxn s GLU 248 Cb 0.15 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 2wxn s GLU 248 CO -0.06 -0.14 -0.14 0.71 -0.54 0.00 0.00 175.26 175.08 2wxn s TYR 249 N 1.04 1.24 -0.25 5.30 1.51 -1.26 0.41 117.35 125.33 2wxn s TYR 249 Ca -0.08 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 2wxn s TYR 249 Cb -0.09 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 2wxn s TYR 249 CO -0.06 0.04 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.87 2wxn s LEU 250 N -1.26 3.25 0.30 -1.29 1.02 0.13 -4.74 118.68 116.08 2wxn s LEU 250 Ca 0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 54.13 53.23 2wxn s LEU 250 Cb -0.08 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.44 2wxn s LEU 250 CO 0.01 -0.13 0.57 -0.72 0.02 0.00 0.00 176.35 176.11 2wxn s TYR 251 N 1.36 0.43 0.00 0.29 -0.85 -1.26 -2.55 117.35 114.77 2wxn s TYR 251 Ca 0.01 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 2wxn s TYR 251 Cb -0.16 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.49 2wxn s TYR 251 CO -0.04 -1.18 0.00 0.41 -1.52 0.00 0.00 175.55 173.23 2wxn n GLY 252 N -0.47 0.65 3.14 5.49 0.00 -1.26 -4.76 105.19 107.98 2wxn n GLY 252 Ca -0.03 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2wxn n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxn n ASN 253 N -0.53 5.07 -3.87 1.61 3.02 -1.26 -4.45 115.26 114.84 2wxn n ASN 253 Ca 0.00 -3.03 -0.12 0.00 -0.03 0.00 0.00 54.58 51.40 2wxn n ASN 253 Cb 0.00 -1.54 -0.14 0.00 -0.61 0.00 0.00 39.78 37.49 2wxn n ASN 253 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wxn s TYR 254 N 1.24 0.00 0.49 3.10 2.02 -1.26 -5.11 117.35 117.83 2wxn s TYR 254 Ca 0.42 -0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.88 2wxn s TYR 254 Cb 0.05 -0.00 -0.07 0.00 -0.40 0.00 0.00 41.96 41.53 2wxn s TYR 254 CO 0.00 -0.01 1.37 -2.30 -1.57 0.00 0.00 175.55 173.04 2wxn n PRO 255 N 3.04 1.96 -0.31 -1.71 -0.02 -1.26 -4.13 135.00 132.58 2wxn n PRO 255 Ca -0.12 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2wxn n PRO 255 Cb 0.60 -2.56 0.23 0.00 -0.02 0.00 0.00 33.50 31.75 2wxn n PRO 255 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wxn h LEU 256 N 1.90 -0.46 0.00 2.45 3.38 -0.48 0.16 115.31 122.27 2wxn h LEU 256 Ca -0.50 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2wxn h LEU 256 Cb 1.29 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2wxn h LEU 256 CO 0.59 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.84 2wxn h HIS 258 N 0.00 0.00 -3.53 0.00 3.86 -0.96 -3.37 115.15 111.15 2wxn h HIS 258 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2wxn h HIS 258 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2wxn h HIS 258 CO 0.00 0.06 0.41 -0.06 0.86 0.00 0.00 177.93 179.20 2wxn s PHE 259 N -3.24 3.71 0.49 2.45 0.08 -0.72 0.51 117.98 121.26 2wxn s PHE 259 Ca 0.03 1.70 0.25 0.00 0.12 0.00 0.00 56.93 59.03 2wxn s PHE 259 Cb 0.07 -3.15 1.31 0.00 -0.57 0.00 0.00 43.02 40.68 2wxn s PHE 259 CO 0.73 -0.16 1.90 1.96 -0.10 0.00 0.00 175.22 179.55 2wxn h GLN 260 N 5.57 0.15 -0.03 0.44 4.20 -0.94 0.58 115.11 125.08 2wxn h GLN 260 Ca -0.43 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.10 2wxn h GLN 260 Cb 1.21 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.97 2wxn h GLN 260 CO 0.73 0.10 -0.63 -0.92 -0.67 0.00 0.00 178.83 177.43 2wxn h TYR 261 N 0.15 0.69 0.02 2.96 3.20 -1.93 0.13 116.97 122.19 2wxn h TYR 261 Ca 0.40 -0.36 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wxn h TYR 261 Cb 1.35 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2wxn h TYR 261 CO -0.00 1.17 -0.01 0.82 -1.64 0.00 0.00 178.16 178.50 2wxn h ILE 262 N 0.02 1.27 -0.63 1.81 1.08 -1.67 -1.90 117.51 117.49 2wxn h ILE 262 Ca -0.07 -0.88 0.08 0.00 -0.39 0.00 0.00 64.86 63.60 2wxn h ILE 262 Cb 1.32 1.86 -0.10 0.00 -3.07 0.00 0.00 36.82 36.83 2wxn h ILE 262 CO 0.13 0.23 -0.51 0.00 -0.69 0.00 0.00 178.15 177.30 2wxn h SER 264 N -0.23 0.24 -0.70 0.00 0.87 -0.78 -2.53 113.55 110.42 2wxn h SER 264 Ca 0.15 0.08 0.16 0.00 -1.23 0.00 0.00 61.79 60.94 2wxn h SER 264 Cb 0.54 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 2wxn h SER 264 CO -0.73 0.14 0.48 0.00 -0.53 0.00 0.00 176.83 176.19 2wxn h LEU 266 N 0.27 0.86 0.59 0.00 3.38 -0.98 -0.40 115.31 119.03 2wxn h LEU 266 Ca 0.34 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2wxn h LEU 266 Cb 0.95 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2wxn h LEU 266 CO -0.08 1.31 -0.28 0.45 0.09 0.00 0.00 178.44 179.93 2wxn h HIS 267 N 0.53 -0.73 0.00 1.13 3.86 -1.45 -3.22 115.15 115.27 2wxn h HIS 267 Ca -0.03 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2wxn h HIS 267 Cb 1.30 0.24 -0.00 0.00 1.06 0.00 0.00 27.41 30.01 2wxn h HIS 267 CO 0.07 -0.45 -0.06 0.66 0.86 0.00 0.00 177.93 179.01 2wxn h SER 268 N -0.89 0.00 0.00 2.45 4.64 -1.64 -3.46 113.55 114.64 2wxn h SER 268 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2wxn h SER 268 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2wxn h SER 268 CO 0.13 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2wxn n GLY 269 N -1.19 0.62 3.68 -0.77 0.00 -0.20 -5.07 105.19 102.26 2wxn n GLY 269 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2wxn n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxn s LEU 270 N 0.00 2.95 -0.29 0.99 1.02 -0.96 -4.96 118.68 117.44 2wxn s LEU 270 Ca 0.00 2.27 -0.10 0.00 0.02 0.00 0.00 54.13 56.31 2wxn s LEU 270 Cb 0.00 -4.58 -0.04 0.00 0.02 0.00 0.00 46.19 41.60 2wxn s LEU 270 CO 0.00 -2.97 0.17 0.42 0.02 0.00 0.00 176.35 173.98 2wxn s THR 271 N -2.46 5.02 0.50 5.49 -4.23 -1.26 -4.54 115.64 114.16 2wxn s THR 271 Ca 0.69 -0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 2wxn s THR 271 Cb -0.25 -3.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 2wxn s THR 271 CO 0.55 0.21 0.89 -2.65 -0.54 0.00 0.00 174.62 173.08 2wxn n PRO 272 N 5.03 1.03 -3.97 3.99 -0.02 -1.24 -4.70 135.00 135.11 2wxn n PRO 272 Ca -0.14 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 2wxn n PRO 272 Cb 0.51 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 2wxn n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxn s HIS 273 N -1.43 1.86 0.10 6.00 3.76 -1.26 -1.66 115.29 122.65 2wxn s HIS 273 Ca 0.68 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 2wxn s HIS 273 Cb -0.50 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2wxn s HIS 273 CO 0.53 -0.60 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.23 2wxn s LEU 274 N 1.59 2.45 -0.08 0.89 1.43 -0.25 -1.80 118.68 122.91 2wxn s LEU 274 Ca 0.05 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2wxn s LEU 274 Cb -0.13 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.92 2wxn s LEU 274 CO -0.10 -0.36 -0.17 -0.89 0.23 0.00 0.00 176.35 175.06 2wxn s THR 275 N -2.97 1.54 -0.36 5.49 2.01 0.10 -1.88 115.64 119.57 2wxn s THR 275 Ca 0.08 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2wxn s THR 275 Cb 0.01 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2wxn s THR 275 CO -0.02 0.44 1.59 -0.04 -0.69 0.00 0.00 174.62 175.90 2wxn s MET 276 N 0.54 3.50 -0.16 4.92 -1.94 0.05 -0.07 119.30 126.15 2wxn s MET 276 Ca -0.16 1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 55.01 2wxn s MET 276 Cb -0.17 -4.09 -0.02 0.00 2.01 0.00 0.00 34.83 32.56 2wxn s MET 276 CO 0.06 -1.65 -0.06 0.08 -0.01 0.00 0.00 175.02 173.43 2wxn s VAL 277 N 5.99 3.59 0.34 -6.03 1.01 0.33 -3.81 120.40 121.82 2wxn s VAL 277 Ca 0.70 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2wxn s VAL 277 Cb -0.18 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 2wxn s VAL 277 CO 0.33 0.49 0.80 -2.28 0.00 0.00 0.00 175.10 174.44 2wxn s HIS 278 N 0.50 3.40 0.30 5.22 2.46 -1.26 -1.24 115.29 124.66 2wxn s HIS 278 Ca -0.05 1.37 0.05 0.00 0.47 0.00 0.00 55.06 56.90 2wxn s HIS 278 Cb -0.15 -2.65 0.72 0.00 -0.13 0.00 0.00 32.58 30.37 2wxn s HIS 278 CO 0.03 0.07 1.79 0.66 -2.47 0.00 0.00 174.74 174.82 2wxn h SER 279 N 2.31 0.81 0.21 9.88 4.64 -0.35 0.18 113.55 131.22 2wxn h SER 279 Ca -0.48 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2wxn h SER 279 Cb 1.18 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wxn h SER 279 CO 0.64 0.31 -0.11 0.77 -0.87 0.00 0.00 176.83 177.57 2wxn h SER 280 N 0.80 0.00 0.78 4.97 4.64 -1.94 -1.23 113.55 121.57 2wxn h SER 280 Ca 0.56 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.64 2wxn h SER 280 Cb 0.84 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2wxn h SER 280 CO -0.36 0.11 -1.11 -1.28 -0.87 0.00 0.00 176.83 173.33 2wxn h SER 281 N 0.00 0.24 0.07 4.97 0.87 -1.04 -2.50 113.55 116.16 2wxn h SER 281 Ca -0.00 -0.25 -0.25 0.00 -1.23 0.00 0.00 61.79 60.06 2wxn h SER 281 Cb 0.25 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2wxn h SER 281 CO 0.01 1.18 -1.02 0.40 -0.53 0.00 0.00 176.83 176.87 2wxn h ILE 282 N 0.05 1.34 -0.40 2.23 2.04 -1.07 -3.07 117.51 118.62 2wxn h ILE 282 Ca -0.07 -2.34 -0.00 0.00 1.00 0.00 0.00 64.86 63.45 2wxn h ILE 282 Cb 1.84 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 40.56 2wxn h ILE 282 CO 0.17 0.70 0.24 -0.07 0.00 0.00 0.00 178.15 179.19 2wxn h LEU 283 N 0.15 0.47 -0.95 1.44 3.38 -1.33 -1.01 115.31 117.45 2wxn h LEU 283 Ca -0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wxn h LEU 283 Cb 1.71 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.30 2wxn h LEU 283 CO 0.20 0.36 0.61 0.00 0.09 0.00 0.00 178.44 179.70 2wxn h ALA 284 N 1.72 1.21 0.87 1.53 0.00 -1.45 -0.56 119.26 122.58 2wxn h ALA 284 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2wxn h ALA 284 Cb -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.39 2wxn h ALA 284 CO -0.03 0.63 -0.42 0.52 0.00 0.00 0.00 179.25 179.96 2wxn h MET 285 N 1.30 -1.12 -0.77 0.00 2.86 -1.15 -2.59 114.93 113.46 2wxn h MET 285 Ca 0.35 0.08 0.18 0.00 -2.06 0.00 0.00 59.70 58.24 2wxn h MET 285 Cb -0.11 0.25 -0.12 0.00 0.06 0.00 0.00 31.60 31.68 2wxn h MET 285 CO -0.07 -0.74 0.13 -0.09 1.06 0.00 0.00 176.91 177.19 2wxn h ARG 286 N -1.19 0.19 -0.25 1.72 2.43 -0.97 -1.51 114.38 114.79 2wxn h ARG 286 Ca -0.12 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2wxn h ARG 286 Cb 0.89 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 2wxn h ARG 286 CO 0.20 0.12 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.25 2wxn h ASP 287 N 0.19 -0.32 -0.05 -3.80 5.19 -1.02 -2.71 116.42 113.91 2wxn h ASP 287 Ca 0.45 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.96 2wxn h ASP 287 Cb 0.81 0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 2wxn h ASP 287 CO -0.60 -0.12 0.34 -0.33 -3.12 0.00 0.00 179.24 175.41 2wxn h GLU 288 N -0.04 0.00 -0.62 3.56 5.08 -0.87 -2.52 114.58 119.17 2wxn h GLU 288 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wxn h GLU 288 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2wxn h GLU 288 CO -0.29 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.76 2wxn n GLN 289 N -2.99 2.69 -1.42 2.33 6.02 -1.02 -4.98 117.38 118.01 2wxn n GLN 289 Ca -0.01 -2.50 -0.35 0.00 -0.01 0.00 0.00 57.00 54.13 2wxn n GLN 289 Cb 0.41 -1.51 0.10 0.00 1.02 0.00 0.00 30.24 30.25 2wxn n GLN 289 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2wxn n SER 290 N 1.44 1.57 0.00 1.08 3.41 -0.95 -4.29 113.62 115.88 2wxn n SER 290 Ca 0.22 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 2wxn n SER 290 Cb 0.59 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2wxn n SER 290 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wxn n ASN 291 N -2.60 0.00 0.00 4.04 5.03 -1.26 -4.70 115.26 115.78 2wxn n ASN 291 Ca 0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.60 2wxn n ASN 291 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2wxn n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxn n LEU 316 N 0.00 0.00 0.29 3.41 -0.00 -1.26 -5.12 117.00 114.32 2wxn n LEU 316 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2wxn n LEU 316 Cb 0.00 0.00 0.95 0.00 -0.00 0.00 0.00 43.42 44.37 2wxn n LEU 316 CO 0.00 0.00 1.07 4.11 -0.00 0.00 0.00 177.39 182.57 2wxn h TRP 317 N 0.00 0.00 0.06 1.47 5.08 -1.94 -3.29 115.95 117.34 2wxn h TRP 317 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 2wxn h TRP 317 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 2wxn h TRP 317 CO 0.00 0.00 -0.21 0.77 -1.28 0.00 0.00 178.44 177.72 2wxn h SER 318 N 0.00 -0.59 -2.05 0.11 0.02 -2.01 -3.42 113.55 105.61 2wxn h SER 318 Ca 0.00 0.08 -0.51 0.00 -0.84 0.00 0.00 61.79 60.52 2wxn h SER 318 Cb 0.19 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2wxn h SER 318 CO 0.00 -0.28 1.38 -0.76 -1.14 0.00 0.00 176.83 176.03 2wxn s LEU 319 N -10.31 3.34 -0.00 5.07 1.43 -1.24 -4.84 118.68 112.13 2wxn s LEU 319 Ca -0.15 0.61 0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2wxn s LEU 319 Cb 0.08 -2.70 -0.19 0.00 0.03 0.00 0.00 46.19 43.41 2wxn s LEU 319 CO 0.66 -2.33 0.91 -0.62 0.23 0.00 0.00 176.35 175.20 2wxn n GLU 320 N 9.03 0.04 -1.66 1.70 1.02 -1.26 0.20 120.64 129.71 2wxn n GLU 320 Ca 0.23 -0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 57.04 2wxn n GLU 320 Cb 0.52 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.48 2wxn n GLU 320 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2wxn s GLN 321 N -3.03 2.87 0.49 3.49 0.00 -1.26 -4.42 119.66 117.80 2wxn s GLN 321 Ca 0.07 1.13 -0.22 0.00 -0.00 0.00 0.00 55.36 56.34 2wxn s GLN 321 Cb 0.16 -1.98 -0.08 0.00 0.00 0.00 0.00 33.01 31.11 2wxn s GLN 321 CO 0.86 -1.16 1.09 -2.30 0.00 0.00 0.00 175.29 173.78 2wxn n PRO 322 N -2.81 1.38 -2.74 9.60 -0.02 -1.26 -1.74 135.00 137.40 2wxn n PRO 322 Ca 0.09 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 2wxn n PRO 322 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2wxn n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxn s PHE 323 N -1.34 3.29 -0.03 6.00 5.36 -0.61 -4.75 117.98 125.90 2wxn s PHE 323 Ca 0.67 1.63 -0.25 0.00 -0.96 0.00 0.00 56.93 58.02 2wxn s PHE 323 Cb -0.49 -2.92 0.05 0.00 -0.34 0.00 0.00 43.02 39.33 2wxn s PHE 323 CO 0.53 -0.25 0.55 -1.54 -1.46 0.00 0.00 175.22 173.05 2wxn s SER 324 N -2.03 -0.49 0.22 6.13 1.04 -1.26 0.29 113.70 117.60 2wxn s SER 324 Ca 0.61 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.59 2wxn s SER 324 Cb -0.12 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 2wxn s SER 324 CO 0.17 -0.56 -0.09 0.27 0.98 0.00 0.00 173.24 174.00 2wxn s ILE 325 N -1.31 1.51 -0.30 -1.02 -5.25 0.01 -4.46 121.20 110.38 2wxn s ILE 325 Ca -0.12 -2.14 -0.16 0.00 -0.99 0.00 0.00 60.65 57.25 2wxn s ILE 325 Cb -0.02 -2.16 -0.02 0.00 2.95 0.00 0.00 42.46 43.21 2wxn s ILE 325 CO 0.07 -0.50 0.41 -0.70 -1.79 0.00 0.00 174.94 172.43 2wxn s GLU 326 N -3.72 3.85 -0.29 0.37 2.12 -1.02 0.26 118.70 120.28 2wxn s GLU 326 Ca 0.24 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 2wxn s GLU 326 Cb 0.02 -3.72 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2wxn s GLU 326 CO 0.07 -0.40 1.08 -1.17 -0.54 0.00 0.00 175.26 174.30 2wxn s LEU 327 N 2.14 3.98 -0.06 2.70 2.96 0.16 -1.79 118.68 128.77 2wxn s LEU 327 Ca 0.15 1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 55.13 2wxn s LEU 327 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2wxn s LEU 327 CO 0.11 -0.83 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.75 2wxn n ILE 328 N 5.72 1.21 -3.51 6.68 5.41 -0.88 0.13 119.36 134.12 2wxn n ILE 328 Ca 0.12 0.26 -0.11 0.00 1.00 0.00 0.00 62.75 64.02 2wxn n ILE 328 Cb 0.47 -1.94 -0.03 0.00 -0.71 0.00 0.00 39.64 37.43 2wxn n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxn s GLU 329 N -2.33 1.25 0.32 0.38 -1.05 -1.23 0.23 118.70 116.28 2wxn s GLU 329 Ca -0.15 -0.57 0.05 0.00 -0.15 0.00 0.00 54.97 54.14 2wxn s GLU 329 Cb 0.02 0.56 -0.03 0.00 -0.44 0.00 0.00 34.13 34.23 2wxn s GLU 329 CO 0.22 -0.53 0.20 0.20 0.95 0.00 0.00 175.26 176.30 2wxn s GLY 330 N -2.78 2.21 -0.46 -3.83 0.00 0.14 -1.51 107.32 101.10 2wxn s GLY 330 Ca 0.02 -1.80 0.06 0.00 0.00 0.00 0.00 44.72 43.01 2wxn s GLY 330 CO -0.11 -1.56 1.08 -0.96 0.00 0.00 0.00 173.10 171.54 2wxn n ARG 331 N -0.62 1.00 0.00 2.90 1.85 -1.25 -1.64 116.66 118.89 2wxn n ARG 331 Ca 0.03 -2.01 0.00 0.00 -1.00 0.00 0.00 57.85 54.87 2wxn n ARG 331 Cb 0.64 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 2wxn n ARG 331 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2wxn n LYS 332 N 0.46 3.62 -3.82 2.89 -0.00 -1.26 -4.56 118.16 115.49 2wxn n LYS 332 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.27 2wxn n LYS 332 Cb 0.69 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.63 2wxn n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxn s VAL 333 N 1.20 0.08 0.00 0.58 1.01 -1.26 -3.90 120.40 118.11 2wxn s VAL 333 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2wxn s VAL 333 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2wxn s VAL 333 CO 0.00 -0.36 0.00 -3.20 0.00 0.00 0.00 175.10 171.54 2wxn n ASN 334 N 1.18 0.00 0.00 3.32 5.15 -1.26 -5.15 115.26 118.50 2wxn n ASN 334 Ca -0.21 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 2wxn n ASN 334 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2wxn n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxn n ALA 335 N -3.00 0.00 0.00 5.20 0.00 -1.26 -4.98 120.51 116.47 2wxn n ALA 335 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wxn n ALA 335 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wxn n ALA 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wxn n MET 339 N 0.00 0.00 -4.99 0.00 2.00 -1.26 -5.01 117.12 107.86 2wxn n MET 339 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.42 2wxn n MET 339 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 2wxn n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxn s LYS 340 N -4.30 1.71 0.27 0.03 3.01 0.12 -1.18 119.74 119.41 2wxn s LYS 340 Ca 0.00 -0.85 -0.20 0.00 -1.01 0.00 0.00 55.97 53.90 2wxn s LYS 340 Cb 0.00 -1.71 -0.09 0.00 -1.01 0.00 0.00 37.83 35.02 2wxn s LYS 340 CO 0.00 0.46 0.79 -0.51 0.51 0.00 0.00 175.35 176.60 2wxn s LEU 341 N -0.72 4.28 -0.04 3.17 1.43 0.26 0.53 118.68 127.60 2wxn s LEU 341 Ca 0.09 1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 2wxn s LEU 341 Cb -0.09 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.35 2wxn s LEU 341 CO -0.00 -0.04 0.24 -0.69 0.23 0.00 0.00 176.35 176.08 2wxn s VAL 342 N -1.64 0.04 0.26 -1.59 1.01 -1.00 -1.83 120.40 115.65 2wxn s VAL 342 Ca 0.47 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2wxn s VAL 342 Cb -0.16 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2wxn s VAL 342 CO 0.21 -0.19 0.16 -0.69 0.00 0.00 0.00 175.10 174.59 2wxn s VAL 343 N -0.74 4.22 -0.09 2.92 1.01 -1.26 -2.85 120.40 123.61 2wxn s VAL 343 Ca -0.08 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 2wxn s VAL 343 Cb -0.04 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2wxn s VAL 343 CO 0.02 -0.35 0.25 -1.58 0.00 0.00 0.00 175.10 173.44 2wxn s GLN 344 N -3.82 0.28 0.07 2.72 0.74 -0.44 -2.22 119.66 116.98 2wxn s GLN 344 Ca 0.33 0.37 0.02 0.00 0.05 0.00 0.00 55.36 56.13 2wxn s GLN 344 Cb -0.07 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 2wxn s GLN 344 CO 0.24 -0.05 -0.07 0.00 -0.55 0.00 0.00 175.29 174.85 2wxn s ALA 345 N 0.30 0.77 -0.04 1.58 0.00 -1.01 -0.49 121.76 122.88 2wxn s ALA 345 Ca -0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 2wxn s ALA 345 Cb -0.03 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2wxn s ALA 345 CO -0.01 -0.12 0.37 0.20 0.00 0.00 0.00 175.76 176.20 2wxn s GLY 346 N -2.28 -0.23 -0.15 0.00 0.00 -1.04 -1.49 107.32 102.12 2wxn s GLY 346 Ca 0.01 0.58 -0.21 0.00 0.00 0.00 0.00 44.72 45.10 2wxn s GLY 346 CO -0.02 0.36 0.61 1.08 0.00 0.00 0.00 173.10 175.13 2wxn s LEU 347 N -1.09 4.21 0.04 0.66 1.43 -1.26 -2.16 118.68 120.51 2wxn s LEU 347 Ca -0.11 0.90 0.09 0.00 -1.03 0.00 0.00 54.13 53.97 2wxn s LEU 347 Cb -0.04 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2wxn s LEU 347 CO 0.05 -0.18 -0.24 -0.36 0.23 0.00 0.00 176.35 175.84 2wxn s PHE 348 N 1.39 2.38 -0.83 0.29 0.08 0.21 -1.15 117.98 120.36 2wxn s PHE 348 Ca 0.30 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2wxn s PHE 348 Cb -0.16 -1.42 0.20 0.00 -0.57 0.00 0.00 43.02 41.07 2wxn s PHE 348 CO 0.12 0.14 0.68 -1.58 -0.10 0.00 0.00 175.22 174.48 2wxn s HIS 349 N -0.82 3.79 0.00 0.36 5.65 -0.38 -1.50 115.29 122.39 2wxn s HIS 349 Ca 0.12 -3.13 0.00 0.00 0.25 0.00 0.00 55.06 52.30 2wxn s HIS 349 Cb -0.10 -3.07 0.00 0.00 -1.18 0.00 0.00 32.58 28.23 2wxn s HIS 349 CO 0.02 -0.68 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 2wxn n GLY 350 N 2.23 1.95 0.15 1.59 0.00 -1.26 -3.86 105.19 105.99 2wxn n GLY 350 Ca 0.21 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 2wxn n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxn h ASN 351 N 0.00 -0.24 -2.36 1.61 2.35 -1.92 -3.44 115.58 111.57 2wxn h ASN 351 Ca 0.00 -0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 55.13 2wxn h ASN 351 Cb 0.00 0.06 0.04 0.00 0.05 0.00 0.00 38.32 38.47 2wxn h ASN 351 CO 0.00 0.24 1.03 -0.62 -1.65 0.00 0.00 177.43 176.43 2wxn n GLU 352 N -4.96 2.52 -2.14 0.81 4.71 -1.25 -4.99 120.64 115.33 2wxn n GLU 352 Ca -0.04 0.92 -0.33 0.00 -0.01 0.00 0.00 57.16 57.69 2wxn n GLU 352 Cb 0.15 -2.77 0.00 0.00 -1.01 0.00 0.00 31.44 27.81 2wxn n GLU 352 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wxn s MET 353 N 2.45 3.40 0.00 3.49 0.23 -1.26 -1.25 119.30 126.35 2wxn s MET 353 Ca 0.83 1.26 0.24 0.00 -1.03 0.00 0.00 55.69 56.99 2wxn s MET 353 Cb -0.57 -2.04 0.30 0.00 -1.53 0.00 0.00 34.83 30.99 2wxn s MET 353 CO 0.40 -0.75 1.33 1.28 -2.03 0.00 0.00 175.02 175.24 2wxn n LEU 354 N -1.81 3.09 -3.62 0.18 4.77 -0.30 -4.84 117.00 114.48 2wxn n LEU 354 Ca 0.09 -1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 54.92 2wxn n LEU 354 Cb 0.53 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2wxn n LEU 354 CO 0.45 0.57 1.00 0.00 -1.33 0.00 0.00 177.39 178.08 2wxn n LYS 356 N -0.35 2.30 -1.23 0.00 2.85 -1.26 -4.71 118.16 115.76 2wxn n LYS 356 Ca -0.06 0.81 -0.29 0.00 -1.05 0.00 0.00 58.31 57.72 2wxn n LYS 356 Cb 0.61 -2.50 0.15 0.00 -0.65 0.00 0.00 35.03 32.64 2wxn n LYS 356 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wxn s THR 357 N -1.14 2.49 0.42 0.58 -4.23 -1.26 -4.67 115.64 107.83 2wxn s THR 357 Ca 0.56 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 2wxn s THR 357 Cb -0.51 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 2wxn s THR 357 CO 0.61 -0.21 0.16 0.68 -0.54 0.00 0.00 174.62 175.33 2wxn s VAL 358 N -2.97 0.44 0.30 2.29 -7.23 -0.56 -5.00 120.40 107.67 2wxn s VAL 358 Ca 0.64 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2wxn s VAL 358 Cb -0.18 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2wxn s VAL 358 CO 0.57 0.00 0.21 -0.44 -0.31 0.00 0.00 175.10 175.13 2wxn s SER 359 N -3.61 1.34 0.39 4.85 0.01 -1.26 -2.41 113.70 113.01 2wxn s SER 359 Ca 0.23 -1.62 0.02 0.00 1.31 0.00 0.00 55.95 55.89 2wxn s SER 359 Cb 0.01 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 2wxn s SER 359 CO 0.16 -0.96 0.59 -0.44 0.41 0.00 0.00 173.24 173.00 2wxn s SER 360 N -3.33 5.99 0.87 2.44 0.01 -0.94 -4.96 113.70 113.77 2wxn s SER 360 Ca 0.38 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.76 2wxn s SER 360 Cb 0.04 -1.61 0.11 0.00 0.21 0.00 0.00 66.02 64.77 2wxn s SER 360 CO 0.21 -0.53 1.10 -0.94 0.41 0.00 0.00 173.24 173.50 2wxn s SER 361 N -4.16 3.59 0.05 2.44 1.04 -1.26 -4.78 113.70 110.63 2wxn s SER 361 Ca 0.45 1.81 -0.30 0.00 0.48 0.00 0.00 55.95 58.39 2wxn s SER 361 Cb -0.10 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 2wxn s SER 361 CO 0.36 -2.62 1.17 -1.61 0.98 0.00 0.00 173.24 171.52 2wxn s GLU 362 N -4.82 4.45 -0.10 4.02 2.02 -1.26 -4.73 118.70 118.28 2wxn s GLU 362 Ca 0.64 1.72 0.01 0.00 0.02 0.00 0.00 54.97 57.36 2wxn s GLU 362 Cb -0.19 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.69 2wxn s GLU 362 CO 0.57 -0.24 -0.10 0.08 0.02 0.00 0.00 175.26 175.60 2wxn s VAL 363 N 1.08 1.09 0.20 2.63 1.01 -0.76 -5.01 120.40 120.64 2wxn s VAL 363 Ca 0.58 -0.38 -0.32 0.00 0.00 0.00 0.00 61.98 61.87 2wxn s VAL 363 Cb -0.28 -1.07 -0.15 0.00 0.00 0.00 0.00 36.38 34.88 2wxn s VAL 363 CO 0.29 0.37 1.13 0.59 0.00 0.00 0.00 175.10 177.47 2wxn n ASN 364 N 4.53 1.31 0.00 3.32 3.02 -1.26 0.93 115.26 127.10 2wxn n ASN 364 Ca -0.17 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 2wxn n ASN 364 Cb 0.51 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 2wxn n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxn n VAL 365 N 1.25 0.00 0.00 2.41 0.31 -0.32 -4.30 118.33 117.67 2wxn n VAL 365 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2wxn n VAL 365 Cb 0.26 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 2wxn n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxn n SER 367 N 0.00 0.00 -1.15 0.00 7.64 -1.26 -4.74 113.62 114.11 2wxn n SER 367 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2wxn n SER 367 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2wxn n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxn n GLU 368 N 0.00 -0.96 -0.72 1.43 4.07 -1.20 -4.27 120.64 118.98 2wxn n GLU 368 Ca 0.00 0.88 -0.31 0.00 -0.06 0.00 0.00 57.16 57.67 2wxn n GLU 368 Cb 0.00 -4.99 0.16 0.00 -0.06 0.00 0.00 31.44 26.55 2wxn n GLU 368 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wxn n PRO 369 N -2.52 -0.39 -3.65 5.31 -0.04 -0.65 -4.48 135.00 128.57 2wxn n PRO 369 Ca -0.14 -0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 2wxn n PRO 369 Cb 0.49 -2.37 -0.17 0.00 -0.04 0.00 0.00 33.50 31.40 2wxn n PRO 369 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wxn s VAL 370 N -2.57 -0.15 -0.15 0.52 1.01 -1.26 0.29 120.40 118.08 2wxn s VAL 370 Ca 0.67 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2wxn s VAL 370 Cb -0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 35.76 2wxn s VAL 370 CO 0.57 0.08 -0.11 0.79 0.00 0.00 0.00 175.10 176.44 2wxn n TRP 371 N 5.30 0.00 -3.95 5.22 8.01 0.64 -4.93 117.44 127.73 2wxn n TRP 371 Ca -0.04 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.88 2wxn n TRP 371 Cb 0.50 -0.61 -0.06 0.00 -2.01 0.00 0.00 31.31 29.13 2wxn n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxn n LYS 372 N -2.87 -0.82 -5.06 -0.99 5.02 0.12 -4.90 118.16 108.66 2wxn n LYS 372 Ca -0.27 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 2wxn n LYS 372 Cb 0.82 -2.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.11 2wxn n LYS 372 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2wxn s GLN 373 N -6.57 2.31 -0.03 1.97 -2.07 0.44 -4.92 119.66 110.80 2wxn s GLN 373 Ca 0.09 -0.76 -0.30 0.00 -1.82 0.00 0.00 55.36 52.57 2wxn s GLN 373 Cb -0.05 -1.92 -0.07 0.00 -1.09 0.00 0.00 33.01 29.89 2wxn s GLN 373 CO 0.78 0.27 1.80 1.03 -1.32 0.00 0.00 175.29 177.85 2wxn s ARG 374 N 0.07 4.11 -0.26 9.60 1.81 -1.26 0.36 118.95 133.37 2wxn s ARG 374 Ca -0.07 2.33 -0.16 0.00 -1.72 0.00 0.00 55.73 56.11 2wxn s ARG 374 Cb -0.14 -4.07 -0.03 0.00 -0.45 0.00 0.00 34.95 30.25 2wxn s ARG 374 CO 0.04 -0.96 0.41 -0.51 -0.68 0.00 0.00 175.30 173.60 2wxn s LEU 375 N 4.43 4.05 -0.10 2.53 1.43 0.73 -4.92 118.68 126.82 2wxn s LEU 375 Ca 0.80 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2wxn s LEU 375 Cb -0.37 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2wxn s LEU 375 CO 0.35 -0.20 -0.00 -0.70 0.23 0.00 0.00 176.35 176.02 2wxn s GLU 376 N 2.09 3.12 0.02 1.70 2.12 -1.26 -0.81 118.70 125.68 2wxn s GLU 376 Ca 0.17 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.11 2wxn s GLU 376 Cb -0.16 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 2wxn s GLU 376 CO 0.10 0.62 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.28 2wxn s PHE 377 N -0.65 2.82 0.00 5.30 0.08 0.85 -4.95 117.98 121.43 2wxn s PHE 377 Ca 0.10 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 2wxn s PHE 377 Cb -0.12 -1.57 -0.18 0.00 -0.57 0.00 0.00 43.02 40.59 2wxn s PHE 377 CO 0.02 0.35 2.78 -3.47 -0.10 0.00 0.00 175.22 174.80 2wxn n ASP 378 N 1.50 4.35 -3.64 1.36 -0.08 -1.26 -3.53 116.55 115.24 2wxn n ASP 378 Ca -0.15 -2.28 -0.06 0.00 -1.51 0.00 0.00 54.79 50.78 2wxn n ASP 378 Cb 0.52 -1.12 -0.07 0.00 2.34 0.00 0.00 41.12 42.79 2wxn n ASP 378 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2wxn s ILE 379 N 1.13 0.00 0.45 5.18 2.07 -1.26 -4.77 121.20 124.00 2wxn s ILE 379 Ca 0.44 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.43 2wxn s ILE 379 Cb 0.21 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.72 2wxn s ILE 379 CO 0.00 0.00 1.28 -0.55 -1.91 0.00 0.00 174.94 173.76 2wxn s SER 380 N 1.11 6.05 0.08 4.50 0.15 -1.26 -1.58 113.70 122.75 2wxn s SER 380 Ca -0.06 2.59 -0.23 0.00 0.70 0.00 0.00 55.95 58.96 2wxn s SER 380 Cb -0.04 -2.63 -0.14 0.00 -1.71 0.00 0.00 66.02 61.50 2wxn s SER 380 CO -0.13 -1.02 1.68 0.58 1.20 0.00 0.00 173.24 175.55 2wxn h VAL 381 N 2.10 1.07 0.00 4.45 2.07 -1.41 -2.18 116.25 122.35 2wxn h VAL 381 Ca -0.50 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2wxn h VAL 381 Cb 1.26 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2wxn h VAL 381 CO 0.61 0.06 0.01 0.00 0.02 0.00 0.00 177.57 178.27 2wxn n ASP 383 N -0.97 0.09 -4.45 0.00 9.92 -0.82 -4.75 116.55 115.57 2wxn n ASP 383 Ca 0.00 0.03 -0.54 0.00 -0.53 0.00 0.00 54.79 53.75 2wxn n ASP 383 Cb 0.01 1.71 -0.08 0.00 -0.64 0.00 0.00 41.12 42.13 2wxn n ASP 383 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wxn n LEU 384 N -2.37 1.86 -4.68 0.64 4.77 -0.43 -4.24 117.00 112.57 2wxn n LEU 384 Ca -0.07 0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 56.18 2wxn n LEU 384 Cb 0.65 -1.16 0.16 0.00 -2.33 0.00 0.00 43.42 40.74 2wxn n LEU 384 CO 0.45 -0.69 0.67 -2.16 -1.33 0.00 0.00 177.39 174.33 2wxn s PRO 385 N 5.72 1.10 0.42 3.23 0.04 -1.26 -4.84 135.00 139.41 2wxn s PRO 385 Ca 1.10 1.37 0.16 0.00 0.04 0.00 0.00 61.00 63.67 2wxn s PRO 385 Cb -1.04 -1.75 1.06 0.00 0.04 0.00 0.00 34.50 32.81 2wxn s PRO 385 CO 0.56 -2.52 1.90 -0.09 0.04 0.00 0.00 177.00 176.89 2wxn h ARG 386 N -1.78 0.40 -0.87 4.56 9.65 -1.95 0.56 114.38 124.96 2wxn h ARG 386 Ca -0.45 -0.02 -0.49 0.00 -1.10 0.00 0.00 59.98 57.91 2wxn h ARG 386 Cb 1.27 -0.09 -0.27 0.00 -1.39 0.00 0.00 29.97 29.48 2wxn h ARG 386 CO 0.45 0.27 0.51 -1.33 2.80 0.00 0.00 179.97 182.66 2wxn n MET 387 N -4.49 2.32 -1.68 0.20 2.81 -1.26 -4.67 117.12 110.35 2wxn n MET 387 Ca 0.16 -3.15 -0.50 0.00 -1.81 0.00 0.00 57.70 52.40 2wxn n MET 387 Cb 0.58 -2.14 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 2wxn n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxn n ALA 388 N -1.08 0.73 -3.57 3.04 0.00 0.19 -4.76 120.51 115.06 2wxn n ALA 388 Ca 0.55 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.93 2wxn n ALA 388 Cb 1.32 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.16 2wxn n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wxn s ARG 389 N 4.07 3.27 -0.24 0.00 3.52 -0.56 -1.69 118.95 127.31 2wxn s ARG 389 Ca 0.94 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 55.75 2wxn s ARG 389 Cb -0.75 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.61 2wxn s ARG 389 CO 0.54 -0.23 0.15 -1.17 -0.81 0.00 0.00 175.30 173.77 2wxn s LEU 390 N 1.45 4.00 -0.15 -0.88 2.96 0.63 -0.62 118.68 126.06 2wxn s LEU 390 Ca 0.05 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2wxn s LEU 390 Cb -0.15 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2wxn s LEU 390 CO -0.04 0.04 -0.19 0.00 -1.32 0.00 0.00 176.35 174.84 2wxn s PHE 392 N 0.93 2.79 0.01 0.00 0.08 0.80 -2.50 117.98 120.09 2wxn s PHE 392 Ca -0.04 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 56.96 2wxn s PHE 392 Cb -0.15 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2wxn s PHE 392 CO -0.03 0.20 -0.25 0.00 -0.10 0.00 0.00 175.22 175.04 2wxn s ALA 393 N -0.66 2.10 -0.14 5.36 0.00 0.36 -1.12 121.76 127.65 2wxn s ALA 393 Ca 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2wxn s ALA 393 Cb -0.11 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2wxn s ALA 393 CO 0.01 0.51 -0.13 -1.17 0.00 0.00 0.00 175.76 174.97 2wxn s LEU 394 N -0.85 1.61 0.00 0.00 0.20 0.22 -1.33 118.68 118.54 2wxn s LEU 394 Ca 0.10 -0.46 0.07 0.00 0.69 0.00 0.00 54.13 54.53 2wxn s LEU 394 Cb -0.10 -1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 2wxn s LEU 394 CO 0.00 -0.06 0.30 0.00 -0.29 0.00 0.00 176.35 176.30 2wxn n TYR 395 N 4.78 -0.86 -4.43 5.38 0.18 -1.13 -0.87 117.16 120.21 2wxn n TYR 395 Ca -0.16 -2.81 -0.21 0.00 1.88 0.00 0.00 57.90 56.60 2wxn n TYR 395 Cb 0.50 0.32 -0.10 0.00 -0.38 0.00 0.00 39.34 39.67 2wxn n TYR 395 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wxn s ALA 396 N -3.33 2.28 0.09 -3.48 0.00 -0.18 -2.38 121.76 114.76 2wxn s ALA 396 Ca 0.40 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.13 2wxn s ALA 396 Cb 0.02 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.70 2wxn s ALA 396 CO 0.28 -0.23 0.66 0.54 0.00 0.00 0.00 175.76 177.01 2wxn s VAL 397 N -3.23 0.00 0.13 0.00 0.11 0.19 -2.86 120.40 114.74 2wxn s VAL 397 Ca 0.33 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 2wxn s VAL 397 Cb 0.07 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.82 2wxn s VAL 397 CO 0.13 0.00 1.39 0.58 -3.33 0.00 0.00 175.10 173.88 2wxn h VAL 398 N 2.20 1.28 -3.09 2.04 2.07 -1.95 0.34 116.25 119.13 2wxn h VAL 398 Ca -0.31 -1.79 -0.67 0.00 0.82 0.00 0.00 66.70 64.75 2wxn h VAL 398 Cb 1.27 1.72 -0.35 0.00 -1.52 0.00 0.00 31.29 32.41 2wxn h VAL 398 CO 0.37 0.58 -0.86 -1.81 0.02 0.00 0.00 177.57 175.87 2wxn s ASP 415 N -6.99 3.14 -0.22 0.57 -0.00 -1.26 -4.83 116.67 107.08 2wxn s ASP 415 Ca -0.10 -0.64 -0.00 0.00 -0.00 0.00 0.00 52.55 51.81 2wxn s ASP 415 Cb 0.10 -1.47 0.06 0.00 -0.00 0.00 0.00 42.92 41.60 2wxn s ASP 415 CO 0.89 0.02 -0.03 0.00 -0.00 0.00 0.00 175.17 176.05 2wxn s PRO 417 N 1.55 4.02 0.00 0.00 0.02 -1.26 -1.01 135.00 138.31 2wxn s PRO 417 Ca -0.04 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.28 2wxn s PRO 417 Cb -0.18 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.13 2wxn s PRO 417 CO -0.07 -0.24 0.00 -0.89 -0.33 0.00 0.00 177.00 175.47 2wxn n ILE 418 N -0.68 0.00 -3.49 2.83 -0.00 -0.75 -4.76 119.36 112.52 2wxn n ILE 418 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.71 2wxn n ILE 418 Cb 0.52 -1.38 -0.03 0.00 -0.00 0.00 0.00 39.64 38.76 2wxn n ILE 418 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wxn s ALA 419 N -2.00 -1.44 0.17 -1.39 0.00 -0.05 -1.20 121.76 115.86 2wxn s ALA 419 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2wxn s ALA 419 Cb 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2wxn s ALA 419 CO 0.00 -0.76 0.03 1.67 0.00 0.00 0.00 175.76 176.70 2wxn s TRP 420 N -3.77 1.16 -0.24 0.00 1.48 0.19 -0.61 118.94 117.15 2wxn s TRP 420 Ca 0.02 -1.11 -0.26 0.00 -1.06 0.00 0.00 56.10 53.69 2wxn s TRP 420 Cb -0.01 -0.66 0.09 0.00 -1.16 0.00 0.00 33.47 31.73 2wxn s TRP 420 CO -0.12 -0.33 0.83 0.00 -4.06 0.00 0.00 176.95 173.28 2wxn s ALA 421 N -3.79 -1.85 0.09 2.67 0.00 -0.28 -1.79 121.76 116.81 2wxn s ALA 421 Ca 0.26 1.88 0.07 0.00 0.00 0.00 0.00 51.96 54.17 2wxn s ALA 421 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2wxn s ALA 421 CO 0.05 -0.31 -0.18 -0.80 0.00 0.00 0.00 175.76 174.53 2wxn s ASN 422 N 0.07 2.11 0.04 0.00 0.01 -1.26 -0.14 114.94 115.77 2wxn s ASN 422 Ca -0.00 -0.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.51 2wxn s ASN 422 Cb -0.04 -0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 2wxn s ASN 422 CO -0.00 -0.01 -0.05 -1.48 -1.51 0.00 0.00 177.10 174.05 2wxn s LEU 423 N -1.81 2.32 0.30 0.60 0.05 -0.58 -4.40 118.68 115.15 2wxn s LEU 423 Ca 0.02 -0.66 -0.29 0.00 0.05 0.00 0.00 54.13 53.25 2wxn s LEU 423 Cb -0.10 0.01 -0.10 0.00 -2.05 0.00 0.00 46.19 43.95 2wxn s LEU 423 CO 0.03 -0.34 1.30 -0.04 -0.55 0.00 0.00 176.35 176.75 2wxn s MET 424 N -2.19 4.38 0.17 1.48 -1.94 -1.26 -0.27 119.30 119.66 2wxn s MET 424 Ca -0.07 2.17 0.25 0.00 -1.71 0.00 0.00 55.69 56.32 2wxn s MET 424 Cb -0.05 -3.10 0.52 0.00 2.01 0.00 0.00 34.83 34.21 2wxn s MET 424 CO -0.03 -0.18 1.50 -0.07 -0.01 0.00 0.00 175.02 176.24 2wxn h LEU 425 N 3.83 0.00 -9.20 -0.03 3.38 -1.67 -3.43 115.31 108.19 2wxn h LEU 425 Ca -0.48 -0.12 -0.68 0.00 0.09 0.00 0.00 57.88 56.69 2wxn h LEU 425 Cb 1.22 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 2wxn h LEU 425 CO 0.68 0.06 -0.69 -0.36 0.09 0.00 0.00 178.44 178.23 2wxn s PHE 426 N -3.14 2.95 1.30 1.13 0.08 -1.26 -2.08 117.98 116.95 2wxn s PHE 426 Ca 0.08 0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.95 2wxn s PHE 426 Cb 0.13 -1.66 0.32 0.00 -0.57 0.00 0.00 43.02 41.24 2wxn s PHE 426 CO 0.67 0.38 0.99 0.16 -0.10 0.00 0.00 175.22 177.32 2wxn s ASP 427 N -1.20 -0.04 0.60 1.36 -4.77 0.14 -4.91 116.67 107.85 2wxn s ASP 427 Ca 0.16 1.03 0.38 0.00 -3.30 0.00 0.00 52.55 50.82 2wxn s ASP 427 Cb -0.11 -1.53 1.84 0.00 -1.09 0.00 0.00 42.92 42.03 2wxn s ASP 427 CO 0.06 -4.76 2.17 0.10 0.70 0.00 0.00 175.17 173.43 2wxn h TYR 428 N -3.01 0.00 -0.99 2.11 -0.00 -1.97 -2.74 116.97 110.37 2wxn h TYR 428 Ca -0.50 0.00 -0.68 0.00 -0.00 0.00 0.00 58.73 57.55 2wxn h TYR 428 Cb 1.33 0.00 -0.29 0.00 -0.00 0.00 0.00 36.73 37.78 2wxn h TYR 428 CO -1.84 0.02 0.87 1.63 -0.00 0.00 0.00 178.16 178.84 2wxn n LYS 429 N -3.17 2.68 -0.51 0.10 4.76 -1.26 -4.91 118.16 115.84 2wxn n LYS 429 Ca -0.01 -3.27 0.00 0.00 -2.87 0.00 0.00 58.31 52.16 2wxn n LYS 429 Cb 0.19 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 2wxn n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxn n ASP 430 N -0.91 0.00 -4.68 4.39 8.00 -1.03 -4.90 116.55 117.42 2wxn n ASP 430 Ca 0.63 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.72 2wxn n ASP 430 Cb 0.66 -2.32 -0.05 0.00 -0.02 0.00 0.00 41.12 39.39 2wxn n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxn s GLN 431 N -0.91 4.30 0.80 -1.24 0.74 -1.26 -1.40 119.66 120.70 2wxn s GLN 431 Ca 0.00 0.81 -0.14 0.00 0.05 0.00 0.00 55.36 56.09 2wxn s GLN 431 Cb 0.00 -3.54 0.06 0.00 1.10 0.00 0.00 33.01 30.64 2wxn s GLN 431 CO 0.00 -0.18 1.10 -0.11 -0.55 0.00 0.00 175.29 175.55 2wxn n LEU 432 N 4.73 3.92 -4.62 3.68 7.94 -0.54 -0.68 117.00 131.42 2wxn n LEU 432 Ca 0.00 0.59 -0.34 0.00 -1.11 0.00 0.00 56.01 55.15 2wxn n LEU 432 Cb 0.50 -1.47 -0.11 0.00 0.53 0.00 0.00 43.42 42.88 2wxn n LEU 432 CO 0.46 -1.90 -0.35 -0.54 -1.11 0.00 0.00 177.39 173.96 2wxn s LYS 433 N -3.91 2.94 0.10 1.96 1.02 -0.88 -4.78 119.74 116.18 2wxn s LYS 433 Ca 0.72 -0.49 -0.25 0.00 0.02 0.00 0.00 55.97 55.98 2wxn s LYS 433 Cb -0.30 -2.71 0.07 0.00 -0.52 0.00 0.00 37.83 34.37 2wxn s LYS 433 CO 0.52 0.64 0.61 0.95 -0.92 0.00 0.00 175.35 177.15 2wxn s THR 434 N -0.73 0.00 0.00 2.17 -4.23 -1.26 -4.63 115.64 106.97 2wxn s THR 434 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2wxn s THR 434 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.72 2wxn s THR 434 CO 0.02 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2wxn n GLY 435 N -0.01 -0.10 3.79 3.99 0.00 -1.26 -5.00 105.19 106.59 2wxn n GLY 435 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2wxn n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxn s GLU 436 N -0.42 4.48 -0.04 1.61 2.12 -1.26 0.29 118.70 125.48 2wxn s GLU 436 Ca 0.00 1.07 0.02 0.00 0.36 0.00 0.00 54.97 56.41 2wxn s GLU 436 Cb 0.00 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2wxn s GLU 436 CO 0.00 0.55 -0.07 1.03 -0.54 0.00 0.00 175.26 176.22 2wxn s ARG 437 N -1.29 1.03 -0.20 4.30 3.00 0.35 -4.92 118.95 121.21 2wxn s ARG 437 Ca 0.36 -0.23 -0.08 0.00 0.00 0.00 0.00 55.73 55.78 2wxn s ARG 437 Cb -0.22 -0.95 -0.04 0.00 0.00 0.00 0.00 34.95 33.74 2wxn s ARG 437 CO 0.24 0.00 0.09 0.00 0.00 0.00 0.00 175.30 175.64 2wxn s LEU 439 N 0.66 4.45 -0.37 0.00 1.43 0.62 -4.90 118.68 120.57 2wxn s LEU 439 Ca 0.05 -1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 51.11 2wxn s LEU 439 Cb -0.13 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2wxn s LEU 439 CO 0.01 -0.36 0.98 -0.31 0.23 0.00 0.00 176.35 176.91 2wxn s TYR 440 N 1.09 3.06 0.17 0.29 2.02 -1.26 -0.59 117.35 122.13 2wxn s TYR 440 Ca 0.03 0.86 -0.08 0.00 -0.37 0.00 0.00 57.07 57.51 2wxn s TYR 440 Cb -0.20 -3.75 -0.06 0.00 -0.40 0.00 0.00 41.96 37.54 2wxn s TYR 440 CO -0.05 -0.86 0.47 -1.64 -1.57 0.00 0.00 175.55 171.89 2wxn s MET 441 N 3.63 3.75 -0.04 -0.62 -1.94 0.22 -0.67 119.30 123.62 2wxn s MET 441 Ca 0.41 0.15 -0.18 0.00 -1.71 0.00 0.00 55.69 54.36 2wxn s MET 441 Cb -0.11 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 2wxn s MET 441 CO 0.19 0.42 0.49 -1.58 -0.01 0.00 0.00 175.02 174.54 2wxn s TRP 442 N -1.67 3.64 0.40 -0.03 0.52 -0.74 -4.41 118.94 116.66 2wxn s TRP 442 Ca 0.42 1.02 -0.24 0.00 0.02 0.00 0.00 56.10 57.32 2wxn s TRP 442 Cb -0.12 -2.48 -0.11 0.00 -1.15 0.00 0.00 33.47 29.60 2wxn s TRP 442 CO 0.22 0.39 0.89 -2.30 0.02 0.00 0.00 176.95 176.16 2wxn n PRO 443 N 2.74 1.12 -2.56 4.98 -0.02 -1.26 -0.63 135.00 139.37 2wxn n PRO 443 Ca -0.09 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.56 2wxn n PRO 443 Cb 0.52 -1.87 0.08 0.00 -0.02 0.00 0.00 33.50 32.21 2wxn n PRO 443 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wxn s SER 444 N -0.78 4.74 0.00 2.55 0.01 -0.34 -4.74 113.70 115.14 2wxn s SER 444 Ca 0.63 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2wxn s SER 444 Cb -0.59 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2wxn s SER 444 CO 0.57 -1.57 0.00 0.55 0.41 0.00 0.00 173.24 173.20 2wxn n VAL 445 N -2.67 0.00 0.00 3.43 3.14 -1.26 -4.97 118.33 116.00 2wxn n VAL 445 Ca 0.12 0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.78 2wxn n VAL 445 Cb 0.60 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 2wxn n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxn n LEU 452 N 0.00 1.32 -4.78 6.55 7.99 -1.26 -5.19 117.00 121.63 2wxn n LEU 452 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 55.63 2wxn n LEU 452 Cb 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 2wxn n LEU 452 CO 0.00 0.22 0.03 -0.22 -1.51 0.00 0.00 177.39 175.91 2wxn s LEU 453 N -4.27 4.34 -0.62 2.23 2.96 -1.26 -4.71 118.68 117.34 2wxn s LEU 453 Ca 0.00 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 2wxn s LEU 453 Cb 0.00 -2.44 0.23 0.00 0.50 0.00 0.00 46.19 44.48 2wxn s LEU 453 CO 0.00 0.19 0.65 -3.20 -1.32 0.00 0.00 176.35 172.67 2wxn n ASN 454 N 2.86 3.04 0.14 3.68 5.15 -1.26 -4.95 115.26 123.92 2wxn n ASN 454 Ca -0.13 -3.27 0.05 0.00 -0.60 0.00 0.00 54.58 50.63 2wxn n ASN 454 Cb 0.52 -0.68 0.48 0.00 -0.53 0.00 0.00 39.78 39.57 2wxn n ASN 454 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wxn h PRO 455 N 4.50 0.22 0.00 1.20 0.13 -1.96 -1.39 132.00 134.71 2wxn h PRO 455 Ca 0.18 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 2wxn h PRO 455 Cb 0.72 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2wxn h PRO 455 CO 0.75 0.25 -0.10 0.00 -0.23 0.00 0.00 178.00 178.67 2wxn h ALA 456 N 1.79 1.08 -2.09 -0.56 0.00 -1.92 -3.46 119.26 114.09 2wxn h ALA 456 Ca 0.05 -0.09 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 2wxn h ALA 456 Cb 0.16 -0.02 0.22 0.00 0.00 0.00 0.00 17.79 18.15 2wxn h ALA 456 CO 0.00 0.13 -0.46 0.41 0.00 0.00 0.00 179.25 179.33 2wxn n GLY 457 N -0.22 -1.78 3.67 0.00 0.00 -0.52 -4.93 105.19 101.40 2wxn n GLY 457 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2wxn n GLY 457 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wxn s THR 458 N -2.41 2.34 -0.32 2.61 -1.32 -1.26 -4.96 115.64 110.31 2wxn s THR 458 Ca 0.60 0.11 0.08 0.00 -1.21 0.00 0.00 61.69 61.27 2wxn s THR 458 Cb -0.20 -2.26 0.54 0.00 -1.51 0.00 0.00 72.50 69.07 2wxn s THR 458 CO 0.65 -0.14 1.55 1.33 -2.21 0.00 0.00 174.62 175.80 2wxn n VAL 459 N -4.18 2.68 -4.66 5.08 0.24 -1.26 -4.27 118.33 111.96 2wxn n VAL 459 Ca 0.10 -2.56 -0.30 0.00 -2.04 0.00 0.00 64.34 59.54 2wxn n VAL 459 Cb 0.53 -0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 2wxn n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxn s ARG 460 N -3.24 1.80 0.96 7.34 3.52 -1.26 -4.71 118.95 123.36 2wxn s ARG 460 Ca 0.47 -1.13 -0.11 0.00 -0.13 0.00 0.00 55.73 54.83 2wxn s ARG 460 Cb 0.42 -2.04 0.17 0.00 -1.56 0.00 0.00 34.95 31.94 2wxn s ARG 460 CO 0.02 0.50 1.10 0.20 -0.81 0.00 0.00 175.30 176.31 2wxn s GLY 461 N -1.57 1.63 0.02 8.12 0.00 -1.26 -4.93 107.32 109.34 2wxn s GLY 461 Ca 0.14 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 2wxn s GLY 461 CO 0.05 0.73 1.53 0.21 0.00 0.00 0.00 173.10 175.61 2wxn s ASN 462 N -2.87 6.73 0.40 1.64 3.84 0.15 -4.95 114.94 119.89 2wxn s ASN 462 Ca 0.66 2.27 0.22 0.00 0.21 0.00 0.00 52.86 56.22 2wxn s ASN 462 Cb -0.22 -2.56 0.55 0.00 -0.55 0.00 0.00 41.25 38.48 2wxn s ASN 462 CO 0.59 -0.81 1.67 1.55 -2.79 0.00 0.00 177.10 177.31 2wxn h PRO 463 N 8.21 0.00 -4.07 0.43 0.13 -1.90 -3.36 132.00 131.44 2wxn h PRO 463 Ca -0.40 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.04 2wxn h PRO 463 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2wxn h PRO 463 CO 0.92 0.23 2.97 -1.71 -0.23 0.00 0.00 178.00 180.18 2wxn n ASN 464 N -3.23 3.71 0.10 1.44 5.15 -1.26 -4.69 115.26 116.47 2wxn n ASN 464 Ca 0.02 -2.79 -0.03 0.00 -0.60 0.00 0.00 54.58 51.18 2wxn n ASN 464 Cb 0.54 -1.53 0.18 0.00 -0.53 0.00 0.00 39.78 38.44 2wxn n ASN 464 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2wxn h THR 465 N 4.07 1.35 -0.27 -0.44 1.35 -1.93 -2.73 112.91 114.32 2wxn h THR 465 Ca 0.54 -1.75 0.03 0.00 -0.55 0.00 0.00 66.41 64.69 2wxn h THR 465 Cb 0.63 1.85 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 2wxn h THR 465 CO 1.90 0.52 -0.32 -0.08 -0.25 0.00 0.00 175.52 177.29 2wxn h GLU 466 N 0.17 -0.19 -0.01 4.72 4.81 -1.95 -3.26 114.58 118.87 2wxn h GLU 466 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2wxn h GLU 466 Cb 0.95 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2wxn h GLU 466 CO 0.08 -0.13 -0.23 0.45 -0.73 0.00 0.00 179.01 178.45 2wxn n SER 467 N -4.21 1.41 -4.92 1.04 2.88 -1.21 -4.95 113.62 103.66 2wxn n SER 467 Ca -0.02 -1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 56.05 2wxn n SER 467 Cb 0.19 0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 2wxn n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxn s ALA 468 N -2.37 3.96 0.15 -1.46 0.00 -1.03 -5.08 121.76 115.93 2wxn s ALA 468 Ca 0.26 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 2wxn s ALA 468 Cb 0.19 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.37 2wxn s ALA 468 CO 0.48 0.70 1.34 0.00 0.00 0.00 0.00 175.76 178.29 2wxn s ALA 469 N -1.62 3.55 -0.20 0.00 0.00 -1.26 -4.82 121.76 117.41 2wxn s ALA 469 Ca 0.36 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.43 2wxn s ALA 469 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2wxn s ALA 469 CO 0.28 -0.57 -0.10 0.00 0.00 0.00 0.00 175.76 175.37 2wxn s ALA 470 N 0.64 2.02 0.08 0.00 0.00 -1.25 0.69 121.76 123.93 2wxn s ALA 470 Ca 0.61 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2wxn s ALA 470 Cb -0.36 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 2wxn s ALA 470 CO 0.34 -0.82 0.57 -0.51 0.00 0.00 0.00 175.76 175.34 2wxn s LEU 471 N 1.39 4.53 -0.13 0.00 1.43 0.25 -3.94 118.68 122.21 2wxn s LEU 471 Ca -0.01 1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2wxn s LEU 471 Cb -0.16 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 2wxn s LEU 471 CO -0.08 0.27 -0.07 0.68 0.23 0.00 0.00 176.35 177.38 2wxn s VAL 472 N -1.11 3.61 0.18 -1.59 -7.23 -0.57 0.23 120.40 113.91 2wxn s VAL 472 Ca 0.29 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2wxn s VAL 472 Cb -0.20 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2wxn s VAL 472 CO 0.19 0.53 -0.01 0.27 -0.31 0.00 0.00 175.10 175.77 2wxn s ILE 473 N 0.07 0.77 -0.22 -0.62 -4.36 0.13 -2.07 121.20 114.90 2wxn s ILE 473 Ca -0.02 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2wxn s ILE 473 Cb -0.14 -2.11 0.06 0.00 1.25 0.00 0.00 42.46 41.52 2wxn s ILE 473 CO 0.03 -0.49 -0.00 -0.47 0.24 0.00 0.00 174.94 174.25 2wxn s TYR 474 N -3.59 1.77 -0.09 1.37 5.04 -0.74 0.13 117.35 121.24 2wxn s TYR 474 Ca 0.23 -1.38 -0.30 0.00 -2.44 0.00 0.00 57.07 53.19 2wxn s TYR 474 Cb 0.06 -1.37 -0.02 0.00 0.35 0.00 0.00 41.96 40.98 2wxn s TYR 474 CO 0.04 -0.71 1.13 -0.51 -1.34 0.00 0.00 175.55 174.16 2wxn s LEU 475 N 1.61 4.25 -0.50 6.97 1.43 0.84 -2.43 118.68 130.84 2wxn s LEU 475 Ca -0.02 1.69 -0.23 0.00 -1.03 0.00 0.00 54.13 54.54 2wxn s LEU 475 Cb -0.18 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.52 2wxn s LEU 475 CO -0.08 -0.55 0.81 -2.16 0.23 0.00 0.00 176.35 174.59 2wxn s PRO 476 N 2.26 3.31 -0.42 1.29 0.05 -1.26 -3.98 135.00 136.25 2wxn s PRO 476 Ca 0.53 -0.35 -0.33 0.00 0.05 0.00 0.00 61.00 60.89 2wxn s PRO 476 Cb -0.22 -4.02 -0.11 0.00 0.05 0.00 0.00 34.50 30.20 2wxn s PRO 476 CO 0.19 -1.29 2.27 -0.85 0.05 0.00 0.00 177.00 177.37 2wxn n GLU 477 N 6.89 1.02 0.00 4.56 0.28 -1.26 -4.77 120.64 127.36 2wxn n GLU 477 Ca -0.00 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2wxn n GLU 477 Cb 0.47 -2.54 0.00 0.00 1.43 0.00 0.00 31.44 30.80 2wxn n GLU 477 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2wxn n VAL 478 N 7.36 0.66 0.00 3.84 0.24 -1.26 -5.17 118.33 124.00 2wxn n VAL 478 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 2wxn n VAL 478 Cb 0.26 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2wxn n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxn n ALA 479 N 0.50 0.00 -2.02 2.33 0.00 -1.26 -5.02 120.51 115.03 2wxn n ALA 479 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2wxn n ALA 479 Cb 0.37 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.86 2wxn n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxn s PRO 482 N 0.00 2.56 -0.06 0.00 0.02 -1.26 -5.31 135.00 130.96 2wxn s PRO 482 Ca 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 61.00 60.47 2wxn s PRO 482 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2wxn s PRO 482 CO 0.00 -0.76 -0.15 0.14 -0.33 0.00 0.00 177.00 175.89 2wxn s VAL 483 N -2.85 1.33 0.18 3.83 -7.23 -1.26 -5.03 120.40 109.37 2wxn s VAL 483 Ca 0.56 -0.63 0.11 0.00 -1.81 0.00 0.00 61.98 60.22 2wxn s VAL 483 Cb -0.10 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2wxn s VAL 483 CO 0.40 0.39 -0.25 -0.31 -0.31 0.00 0.00 175.10 175.03 2wxn s TYR 484 N 0.35 2.30 0.26 2.82 2.02 -1.26 -1.47 117.35 122.37 2wxn s TYR 484 Ca -0.10 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 55.94 2wxn s TYR 484 Cb -0.14 -1.16 -0.10 0.00 -0.40 0.00 0.00 41.96 40.16 2wxn s TYR 484 CO 0.04 0.47 1.45 0.12 -1.57 0.00 0.00 175.55 176.05 2wxn s PHE 485 N -1.55 3.00 0.28 2.71 2.19 -0.49 -4.27 117.98 119.85 2wxn s PHE 485 Ca 0.19 1.03 -0.29 0.00 0.33 0.00 0.00 56.93 58.19 2wxn s PHE 485 Cb -0.08 -3.83 -0.10 0.00 -1.31 0.00 0.00 43.02 37.69 2wxn s PHE 485 CO 0.09 -2.70 1.27 -2.14 1.83 0.00 0.00 175.22 173.57 2wxn s PRO 486 N -0.46 4.42 0.71 10.12 0.02 -1.26 -4.98 135.00 143.57 2wxn s PRO 486 Ca 0.59 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 2wxn s PRO 486 Cb -0.42 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.00 2wxn s PRO 486 CO 0.44 -0.13 1.24 0.00 -0.33 0.00 0.00 177.00 178.22 2wxn s ALA 487 N -0.79 2.18 0.56 -1.55 0.00 -1.26 -4.75 121.76 116.15 2wxn s ALA 487 Ca 0.50 1.00 0.28 0.00 0.00 0.00 0.00 51.96 53.74 2wxn s ALA 487 Cb -0.37 -3.51 1.49 0.00 0.00 0.00 0.00 23.12 20.73 2wxn s ALA 487 CO 0.46 -1.83 1.98 1.25 0.00 0.00 0.00 175.76 177.63 2wxn h LEU 488 N -0.05 0.00 -0.31 0.00 5.85 -1.99 0.18 115.31 118.99 2wxn h LEU 488 Ca -0.49 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.29 2wxn h LEU 488 Cb 1.31 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2wxn h LEU 488 CO 0.50 0.00 -0.02 1.05 -0.34 0.00 0.00 178.44 179.64 2wxn h GLU 489 N 0.00 0.07 -0.45 1.25 4.11 -2.00 -0.67 114.58 116.88 2wxn h GLU 489 Ca 0.21 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.60 2wxn h GLU 489 Cb 1.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2wxn h GLU 489 CO -0.00 0.04 0.14 0.87 0.07 0.00 0.00 179.01 180.13 2wxn h LYS 490 N 0.07 0.70 -0.38 1.06 1.79 -1.30 -2.67 116.57 115.84 2wxn h LYS 490 Ca 0.15 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2wxn h LYS 490 Cb 0.21 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2wxn h LYS 490 CO -0.27 0.68 0.15 0.82 -1.08 0.00 0.00 179.45 179.75 2wxn h ILE 491 N 0.59 1.15 -0.75 1.86 1.08 -1.27 -1.58 117.51 118.58 2wxn h ILE 491 Ca 0.14 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.11 2wxn h ILE 491 Cb 0.27 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2wxn h ILE 491 CO -0.00 0.17 0.27 -0.07 -0.69 0.00 0.00 178.15 177.83 2wxn h LEU 492 N 0.53 1.07 0.56 1.44 3.38 -0.79 -3.08 115.31 118.41 2wxn h LEU 492 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2wxn h LEU 492 Cb 0.11 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wxn h LEU 492 CO -0.01 0.97 -0.27 -0.33 0.09 0.00 0.00 178.44 178.89 2wxn h GLU 493 N 1.10 -0.72 0.00 1.13 3.07 -1.18 -3.50 114.58 114.49 2wxn h GLU 493 Ca 0.25 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2wxn h GLU 493 Cb 0.26 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2wxn h GLU 493 CO -0.01 -0.42 0.00 -0.11 -1.40 0.00 0.00 179.01 177.06 2wxn n LEU 494 N -5.35 0.00 -0.38 1.33 7.94 -0.65 -5.13 117.00 114.76 2wxn n LEU 494 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2wxn n LEU 494 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 2wxn n LEU 494 CO 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.62 2wxn n LEU 511 N 0.00 0.00 -0.12 -1.96 -0.00 -1.26 -4.89 117.00 108.78 2wxn n LEU 511 Ca 0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 56.01 55.81 2wxn n LEU 511 Cb 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.27 2wxn n LEU 511 CO 0.00 0.00 -1.17 0.54 -0.00 0.00 0.00 177.39 176.76 2wxn n ARG 512 N -0.17 0.54 -0.09 1.47 5.12 -1.26 -4.59 116.66 117.68 2wxn n ARG 512 Ca 0.00 0.23 -0.05 0.00 -1.93 0.00 0.00 57.85 56.10 2wxn n ARG 512 Cb 0.02 -1.42 0.16 0.00 -1.16 0.00 0.00 32.46 30.06 2wxn n ARG 512 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2wxn h GLU 513 N -0.94 0.74 -1.00 5.56 5.08 -2.05 -2.71 114.58 119.26 2wxn h GLU 513 Ca -0.46 -0.23 0.12 0.00 -1.00 0.00 0.00 59.36 57.80 2wxn h GLU 513 Cb 1.38 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.48 2wxn h GLU 513 CO -0.28 0.80 0.63 0.97 -1.00 0.00 0.00 179.01 180.14 2wxn h ILE 514 N 0.68 0.92 0.02 3.13 6.09 -2.06 0.24 117.51 126.54 2wxn h ILE 514 Ca 0.12 -0.34 -0.21 0.00 -1.37 0.00 0.00 64.86 63.06 2wxn h ILE 514 Cb 0.53 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.64 2wxn h ILE 514 CO 0.03 0.18 -0.97 0.17 -3.07 0.00 0.00 178.15 174.49 2wxn h LEU 515 N 1.00 0.14 -6.72 2.19 8.10 -1.79 -3.41 115.31 114.81 2wxn h LEU 515 Ca 0.50 -0.13 -0.70 0.00 0.11 0.00 0.00 57.88 57.66 2wxn h LEU 515 Cb 0.49 -0.04 -0.06 0.00 -0.44 0.00 0.00 40.66 40.61 2wxn h LEU 515 CO -0.27 1.02 2.78 1.21 -4.11 0.00 0.00 178.44 179.08 2wxn n GLU 516 N -3.51 2.99 0.00 0.17 2.13 0.85 -5.01 120.64 118.26 2wxn n GLU 516 Ca -0.02 -2.86 0.00 0.00 0.66 0.00 0.00 57.16 54.93 2wxn n GLU 516 Cb 0.89 -3.37 0.00 0.00 0.27 0.00 0.00 31.44 29.23 2wxn n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2wxn n ARG 517 N 6.99 0.00 -2.98 5.31 0.00 -1.26 -4.88 116.66 119.84 2wxn n ARG 517 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.35 2wxn n ARG 517 Cb 0.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.46 32.68 2wxn n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxn n GLU 522 N 0.00 -1.84 -4.32 2.89 1.02 -1.26 -5.22 120.64 111.91 2wxn n GLU 522 Ca 0.00 1.69 -0.20 0.00 -0.02 0.00 0.00 57.16 58.63 2wxn n GLU 522 Cb 0.16 -2.29 -0.11 0.00 -0.02 0.00 0.00 31.44 29.19 2wxn n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxn s LEU 523 N -0.71 2.47 0.83 -4.62 2.34 -1.26 -5.14 118.68 112.59 2wxn s LEU 523 Ca -0.05 -0.91 -0.12 0.00 0.06 0.00 0.00 54.13 53.12 2wxn s LEU 523 Cb 0.00 -0.72 0.09 0.00 -0.56 0.00 0.00 46.19 45.00 2wxn s LEU 523 CO 0.25 -0.10 1.10 -0.31 -1.06 0.00 0.00 176.35 176.23 2wxn s TYR 524 N -2.39 2.68 0.14 3.48 2.02 -1.26 -4.79 117.35 117.22 2wxn s TYR 524 Ca 0.17 1.15 -0.25 0.00 -0.37 0.00 0.00 57.07 57.76 2wxn s TYR 524 Cb -0.04 -3.15 -0.02 0.00 -0.40 0.00 0.00 41.96 38.35 2wxn s TYR 524 CO 0.06 -1.97 1.62 1.49 -1.57 0.00 0.00 175.55 175.18 2wxn h GLU 525 N -1.23 -0.37 -0.81 -0.62 4.57 -2.01 -1.41 114.58 112.71 2wxn h GLU 525 Ca -0.48 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 2wxn h GLU 525 Cb 1.28 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 2wxn h GLU 525 CO 0.58 -0.24 0.35 1.12 -1.18 0.00 0.00 179.01 179.64 2wxn h HIS 526 N -0.38 1.20 -0.54 0.92 2.07 -2.00 -2.57 115.15 113.85 2wxn h HIS 526 Ca 0.09 -0.08 0.10 0.00 -2.85 0.00 0.00 60.37 57.64 2wxn h HIS 526 Cb 0.52 -0.37 -0.08 0.00 2.57 0.00 0.00 27.41 30.06 2wxn h HIS 526 CO -0.38 0.89 0.06 0.93 -3.07 0.00 0.00 177.93 176.37 2wxn h GLU 527 N 1.16 0.18 -0.93 5.12 5.08 -1.66 0.29 114.58 123.82 2wxn h GLU 527 Ca 0.27 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.79 2wxn h GLU 527 Cb 0.18 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 2wxn h GLU 527 CO -0.03 0.12 0.53 0.87 -1.00 0.00 0.00 179.01 179.50 2wxn h LYS 528 N 0.19 0.69 -0.87 2.33 1.57 -0.89 -2.26 116.57 117.32 2wxn h LYS 528 Ca 0.28 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2wxn h LYS 528 Cb 0.41 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2wxn h LYS 528 CO -0.40 0.45 0.45 -0.44 -0.57 0.00 0.00 179.45 178.94 2wxn h ASP 529 N 0.71 1.11 0.43 0.86 3.32 -0.25 -2.09 116.42 120.50 2wxn h ASP 529 Ca 0.52 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 2wxn h ASP 529 Cb 0.77 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2wxn h ASP 529 CO -0.37 0.91 -0.21 0.25 -1.72 0.00 0.00 179.24 178.10 2wxn h LEU 530 N 1.22 -0.49 -0.89 1.55 5.85 -0.86 -1.51 115.31 120.18 2wxn h LEU 530 Ca 0.30 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.11 2wxn h LEU 530 Cb 0.07 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.07 2wxn h LEU 530 CO -0.04 -0.20 -0.28 0.58 -0.34 0.00 0.00 178.44 178.16 2wxn h VAL 531 N -0.77 0.08 -0.17 1.05 2.07 -1.43 0.78 116.25 117.86 2wxn h VAL 531 Ca -0.06 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2wxn h VAL 531 Cb 0.54 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2wxn h VAL 531 CO 0.10 0.00 -0.28 -0.25 0.02 0.00 0.00 177.57 177.16 2wxn h TRP 532 N -0.02 0.36 -0.34 1.57 2.91 -1.15 -2.37 115.95 116.91 2wxn h TRP 532 Ca 0.39 -0.07 -0.16 0.00 1.13 0.00 0.00 58.89 60.18 2wxn h TRP 532 Cb 0.63 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 2wxn h TRP 532 CO -0.74 0.58 -0.42 -0.22 -1.03 0.00 0.00 178.44 176.61 2wxn h LYS 533 N 0.28 0.85 -0.12 2.65 1.63 0.13 -3.01 116.57 118.98 2wxn h LYS 533 Ca 0.04 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2wxn h LYS 533 Cb 0.65 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2wxn h LYS 533 CO 0.05 1.10 0.00 -1.33 -3.45 0.00 0.00 179.45 175.82 2wxn n MET 534 N -4.04 1.34 -0.31 1.90 2.81 -0.04 -4.57 117.12 114.22 2wxn n MET 534 Ca -0.02 -0.53 0.25 0.00 -1.81 0.00 0.00 57.70 55.59 2wxn n MET 534 Cb 0.56 -1.20 0.57 0.00 -0.71 0.00 0.00 33.22 32.44 2wxn n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxn h ARG 535 N 0.93 0.28 -0.15 0.03 0.11 -1.29 0.55 114.38 114.83 2wxn h ARG 535 Ca 0.00 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 2wxn h ARG 535 Cb 0.21 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2wxn h ARG 535 CO 0.00 0.18 -0.46 0.45 0.10 0.00 0.00 179.97 180.24 2wxn h HIS 536 N 0.29 0.47 0.00 4.08 3.86 -1.88 -2.10 115.15 119.87 2wxn h HIS 536 Ca 0.57 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 2wxn h HIS 536 Cb 1.66 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 2wxn h HIS 536 CO -0.00 0.78 -0.17 0.93 0.86 0.00 0.00 177.93 180.32 2wxn h GLU 537 N 0.31 0.00 0.12 2.45 4.39 -0.29 -1.72 114.58 119.85 2wxn h GLU 537 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2wxn h GLU 537 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2wxn h GLU 537 CO 0.08 0.17 -0.06 0.28 -1.16 0.00 0.00 179.01 178.32 2wxn h VAL 538 N 0.00 1.06 -0.70 3.13 2.07 -1.05 -0.10 116.25 120.66 2wxn h VAL 538 Ca -0.00 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 66.55 2wxn h VAL 538 Cb 1.04 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.43 2wxn h VAL 538 CO 0.02 0.24 0.29 -0.61 0.02 0.00 0.00 177.57 177.54 2wxn h GLN 539 N -0.70 0.47 0.20 1.57 4.15 -1.32 0.49 115.11 119.96 2wxn h GLN 539 Ca -0.02 -0.03 -0.32 0.00 0.77 0.00 0.00 58.65 59.06 2wxn h GLN 539 Cb 0.53 -0.11 0.03 0.00 0.21 0.00 0.00 27.48 28.14 2wxn h GLN 539 CO 0.03 0.31 -1.39 0.93 -1.93 0.00 0.00 178.83 176.78 2wxn h GLU 540 N 0.48 0.51 0.00 1.69 5.08 -1.36 -3.35 114.58 117.63 2wxn h GLU 540 Ca 0.36 -0.82 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2wxn h GLU 540 Cb 0.47 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2wxn h GLU 540 CO -0.33 1.39 -0.80 0.72 -1.00 0.00 0.00 179.01 178.98 2wxn n HIS 541 N -3.70 0.00 -2.82 4.33 8.25 -0.05 -4.77 115.22 116.46 2wxn n HIS 541 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 2wxn n HIS 541 Cb 1.07 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 32.12 2wxn n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxn n PHE 542 N -1.44 0.25 0.18 4.41 3.72 0.13 -4.97 117.46 119.74 2wxn n PHE 542 Ca 0.00 -2.94 0.08 0.00 -0.05 0.00 0.00 57.45 54.54 2wxn n PHE 542 Cb 0.17 -0.05 0.42 0.00 -0.94 0.00 0.00 39.48 39.08 2wxn n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxn h PRO 543 N 2.89 0.00 -0.01 -1.08 0.13 -1.61 0.31 132.00 132.63 2wxn h PRO 543 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wxn h PRO 543 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wxn h PRO 543 CO 0.42 0.00 -0.15 0.39 -0.23 0.00 0.00 178.00 178.42 2wxn n GLU 544 N -2.15 0.82 -0.07 0.86 1.02 -1.26 -3.22 120.64 116.64 2wxn n GLU 544 Ca -0.01 -0.38 0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2wxn n GLU 544 Cb 0.30 -1.49 0.29 0.00 -0.02 0.00 0.00 31.44 30.51 2wxn n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxn n ALA 545 N -0.76 2.49 -0.23 0.62 0.00 0.11 -4.56 120.51 118.18 2wxn n ALA 545 Ca 0.14 -0.68 0.16 0.00 0.00 0.00 0.00 53.44 53.06 2wxn n ALA 545 Cb 0.30 -0.97 0.30 0.00 0.00 0.00 0.00 19.45 19.08 2wxn n ALA 545 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wxn n LEU 546 N 0.89 0.07 -0.04 0.00 7.94 -1.20 -1.40 117.00 123.26 2wxn n LEU 546 Ca 0.17 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 56.08 2wxn n LEU 546 Cb 0.48 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 2wxn n LEU 546 CO 0.15 -1.21 0.66 0.00 -1.11 0.00 0.00 177.39 175.88 2wxn h ALA 547 N 1.35 0.15 0.00 1.96 0.00 -1.90 -1.44 119.26 119.39 2wxn h ALA 547 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wxn h ALA 547 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wxn h ALA 547 CO -0.58 -0.06 0.03 -0.09 0.00 0.00 0.00 179.25 178.55 2wxn h ARG 548 N -0.14 0.00 0.06 0.00 2.43 -1.58 -1.69 114.38 113.46 2wxn h ARG 548 Ca 0.02 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.82 2wxn h ARG 548 Cb 0.53 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2wxn h ARG 548 CO 0.02 0.00 -2.18 -0.11 -1.51 0.00 0.00 179.97 176.18 2wxn n LEU 549 N -3.03 2.47 -0.23 3.80 7.94 -1.13 -3.22 117.00 123.61 2wxn n LEU 549 Ca -0.03 0.08 0.01 0.00 -1.11 0.00 0.00 56.01 54.96 2wxn n LEU 549 Cb 0.10 -0.84 0.13 0.00 0.53 0.00 0.00 43.42 43.33 2wxn n LEU 549 CO 0.19 0.83 1.02 -0.07 -1.11 0.00 0.00 177.39 178.26 2wxn h LEU 550 N 0.04 0.33 -1.65 -1.96 3.38 -0.45 -0.12 115.31 114.88 2wxn h LEU 550 Ca -0.48 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2wxn h LEU 550 Cb 2.00 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2wxn h LEU 550 CO 0.02 0.18 -0.07 -0.07 0.09 0.00 0.00 178.44 178.59 2wxn h LEU 551 N 0.49 0.00 0.00 1.67 3.38 -1.48 -2.91 115.31 116.46 2wxn h LEU 551 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 2wxn h LEU 551 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2wxn h LEU 551 CO -0.30 0.07 -0.86 -0.37 0.09 0.00 0.00 178.44 177.07 2wxn h VAL 552 N 0.00 0.60 -4.12 1.22 -1.51 -1.10 -3.48 116.25 107.86 2wxn h VAL 552 Ca -0.00 -1.95 -0.55 0.00 -1.23 0.00 0.00 66.70 62.97 2wxn h VAL 552 Cb 0.47 2.17 0.15 0.00 -2.13 0.00 0.00 31.29 31.95 2wxn h VAL 552 CO 0.01 0.34 0.48 0.42 -1.23 0.00 0.00 177.57 177.59 2wxn s THR 553 N -3.00 2.21 -0.87 7.19 -4.23 -0.21 -4.91 115.64 111.81 2wxn s THR 553 Ca 0.01 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 2wxn s THR 553 Cb 0.08 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 71.08 2wxn s THR 553 CO 0.77 -0.03 1.01 -0.54 -0.54 0.00 0.00 174.62 175.29 2wxn s LYS 554 N -3.46 3.54 0.07 3.99 -0.14 -1.26 -4.86 119.74 117.61 2wxn s LYS 554 Ca 0.80 -1.84 0.08 0.00 -1.36 0.00 0.00 55.97 53.65 2wxn s LYS 554 Cb -0.35 -4.73 0.38 0.00 -1.68 0.00 0.00 37.83 31.45 2wxn s LYS 554 CO 0.39 -1.65 1.25 0.91 -0.76 0.00 0.00 175.35 175.49 2wxn n TRP 555 N 6.01 0.17 -0.54 3.18 7.02 -1.26 -2.18 117.44 129.83 2wxn n TRP 555 Ca 0.18 0.08 0.07 0.00 -1.02 0.00 0.00 57.50 56.81 2wxn n TRP 555 Cb 0.48 -0.63 0.20 0.00 -2.42 0.00 0.00 31.31 28.94 2wxn n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxn n ASN 556 N -1.67 3.36 -3.95 -0.99 6.94 -1.26 -4.26 115.26 113.43 2wxn n ASN 556 Ca 0.01 -2.46 -0.31 0.00 -0.02 0.00 0.00 54.58 51.80 2wxn n ASN 556 Cb 0.05 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 36.95 2wxn n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wxn s LYS 557 N -1.82 1.66 0.25 -3.83 -0.14 -0.93 -4.92 119.74 110.01 2wxn s LYS 557 Ca 0.32 -1.11 -0.04 0.00 -1.36 0.00 0.00 55.97 53.78 2wxn s LYS 557 Cb 0.22 -2.65 0.40 0.00 -1.68 0.00 0.00 37.83 34.12 2wxn s LYS 557 CO 0.13 -0.64 1.84 1.12 -0.76 0.00 0.00 175.35 177.03 2wxn h HIS 558 N 7.91 0.98 -0.68 3.18 2.07 -1.82 -2.59 115.15 124.20 2wxn h HIS 558 Ca -0.17 0.03 0.13 0.00 -2.85 0.00 0.00 60.37 57.51 2wxn h HIS 558 Cb 1.06 -0.31 -0.09 0.00 2.57 0.00 0.00 27.41 30.64 2wxn h HIS 558 CO 0.51 0.45 0.21 0.93 -3.07 0.00 0.00 177.93 176.96 2wxn h GLU 559 N 0.93 0.33 -0.31 5.12 5.08 -1.93 -2.49 114.58 121.31 2wxn h GLU 559 Ca 0.41 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.61 2wxn h GLU 559 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2wxn h GLU 559 CO -0.22 0.22 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.20 2wxn h ASP 560 N 0.34 0.77 0.41 1.42 5.19 -1.75 -2.77 116.42 120.02 2wxn h ASP 560 Ca 0.36 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2wxn h ASP 560 Cb 0.55 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2wxn h ASP 560 CO -0.41 1.06 -0.31 0.58 -3.12 0.00 0.00 179.24 177.04 2wxn h VAL 561 N 0.60 0.35 -0.99 -1.35 2.07 -1.42 -0.06 116.25 115.44 2wxn h VAL 561 Ca 0.05 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.86 2wxn h VAL 561 Cb 0.91 0.35 -0.18 0.00 -1.52 0.00 0.00 31.29 30.85 2wxn h VAL 561 CO 0.08 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.74 2wxn h ALA 562 N -0.23 1.24 -0.30 1.67 0.00 -1.44 0.51 119.26 120.71 2wxn h ALA 562 Ca -0.04 0.34 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2wxn h ALA 562 Cb 0.62 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wxn h ALA 562 CO -0.00 -0.60 -0.51 1.96 0.00 0.00 0.00 179.25 180.09 2wxn h GLN 563 N 0.01 0.85 0.87 0.00 4.20 -1.19 -1.68 115.11 118.18 2wxn h GLN 563 Ca 0.62 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2wxn h GLN 563 Cb 1.30 0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.14 2wxn h GLN 563 CO -0.91 1.16 -0.42 1.98 -0.67 0.00 0.00 178.83 179.97 2wxn h MET 564 N 0.66 -1.13 -0.83 1.46 4.05 0.56 -2.10 114.93 117.61 2wxn h MET 564 Ca 0.02 0.08 0.10 0.00 -0.28 0.00 0.00 59.70 59.62 2wxn h MET 564 Cb 1.11 0.26 -0.12 0.00 -0.80 0.00 0.00 31.60 32.05 2wxn h MET 564 CO 0.11 -0.75 -0.50 -0.07 0.23 0.00 0.00 176.91 175.94 2wxn h LEU 565 N -1.27 -1.78 -0.94 3.39 4.07 -1.11 -0.22 115.31 117.45 2wxn h LEU 565 Ca -0.12 0.30 0.27 0.00 0.08 0.00 0.00 57.88 58.40 2wxn h LEU 565 Cb 0.90 0.82 -0.14 0.00 1.08 0.00 0.00 40.66 43.32 2wxn h LEU 565 CO 0.20 -0.29 0.42 0.22 -1.08 0.00 0.00 178.44 177.91 2wxn h TYR 566 N -0.10 0.68 -0.41 1.13 3.20 -1.02 1.36 116.97 121.82 2wxn h TYR 566 Ca 0.20 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2wxn h TYR 566 Cb 0.52 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2wxn h TYR 566 CO -0.88 -0.14 0.16 -0.07 -1.64 0.00 0.00 178.16 175.59 2wxn h LEU 567 N 0.32 0.56 -1.83 2.82 3.38 -0.51 -3.29 115.31 116.76 2wxn h LEU 567 Ca 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 2wxn h LEU 567 Cb 1.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2wxn h LEU 567 CO -0.60 0.57 -0.06 0.25 0.09 0.00 0.00 178.44 178.69 2wxn h LEU 568 N 0.51 0.03 -2.22 1.67 5.85 0.35 -2.51 115.31 118.98 2wxn h LEU 568 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2wxn h LEU 568 Cb 0.19 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2wxn h LEU 568 CO -0.01 0.10 -0.05 0.00 -0.34 0.00 0.00 178.44 178.13 2wxn n SER 570 N -3.49 2.61 -4.72 0.00 3.41 -0.96 -5.05 113.62 105.42 2wxn n SER 570 Ca -0.02 -3.11 -0.42 0.00 -0.26 0.00 0.00 58.87 55.06 2wxn n SER 570 Cb 0.18 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2wxn n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxn s TRP 571 N -2.89 3.47 0.79 7.33 -0.11 -0.78 -4.98 118.94 121.77 2wxn s TRP 571 Ca 0.34 1.37 -0.13 0.00 1.22 0.00 0.00 56.10 58.90 2wxn s TRP 571 Cb 0.30 -3.39 0.07 0.00 -1.50 0.00 0.00 33.47 28.95 2wxn s TRP 571 CO 0.04 -1.13 1.20 -1.25 -4.62 0.00 0.00 176.95 171.19 2wxn s PRO 572 N 0.73 1.77 0.75 5.86 0.04 -1.26 -4.96 135.00 137.93 2wxn s PRO 572 Ca 0.57 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2wxn s PRO 572 Cb -0.29 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.50 2wxn s PRO 572 CO 0.31 -2.11 1.22 -1.21 0.04 0.00 0.00 177.00 175.25 2wxn s GLU 573 N -4.12 1.99 0.27 4.56 2.02 -1.26 -5.04 118.70 117.12 2wxn s GLU 573 Ca 0.73 1.81 0.10 0.00 0.02 0.00 0.00 54.97 57.62 2wxn s GLU 573 Cb -0.28 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 2wxn s GLU 573 CO 0.50 -1.96 -0.04 -0.51 0.02 0.00 0.00 175.26 173.26 2wxn s LEU 574 N -5.27 3.07 0.64 1.80 1.43 -1.26 -5.06 118.68 114.03 2wxn s LEU 574 Ca 0.75 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 2wxn s LEU 574 Cb -0.30 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2wxn s LEU 574 CO 0.47 -0.01 1.22 -2.84 0.23 0.00 0.00 176.35 175.41 2wxn s PRO 575 N -3.65 2.68 0.26 1.29 0.02 -1.26 -4.74 135.00 129.60 2wxn s PRO 575 Ca 0.31 1.82 -0.04 0.00 0.02 0.00 0.00 61.00 63.12 2wxn s PRO 575 Cb -0.06 -1.89 0.53 0.00 0.02 0.00 0.00 34.50 33.10 2wxn s PRO 575 CO 0.19 -1.44 1.64 0.28 -0.33 0.00 0.00 177.00 177.34 2wxn h VAL 576 N 0.47 0.32 -0.36 3.83 2.07 -1.99 0.38 116.25 120.97 2wxn h VAL 576 Ca -0.50 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2wxn h VAL 576 Cb 1.30 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2wxn h VAL 576 CO 0.53 0.03 0.21 0.25 0.02 0.00 0.00 177.57 178.61 2wxn h LEU 577 N 0.14 0.33 -0.39 2.57 5.85 -1.98 0.50 115.31 122.34 2wxn h LEU 577 Ca 0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2wxn h LEU 577 Cb 0.85 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2wxn h LEU 577 CO -0.67 0.24 0.20 0.28 -0.34 0.00 0.00 178.44 178.15 2wxn h SER 578 N 0.42 0.50 -0.76 1.25 0.02 -1.47 -2.98 113.55 110.53 2wxn h SER 578 Ca 0.14 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2wxn h SER 578 Cb 0.01 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 2wxn h SER 578 CO -0.07 0.47 0.43 0.00 -1.14 0.00 0.00 176.83 176.51 2wxn h ALA 579 N 1.05 1.06 -0.39 3.77 0.00 -0.19 -2.03 119.26 122.52 2wxn h ALA 579 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2wxn h ALA 579 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wxn h ALA 579 CO -0.02 0.07 0.27 -0.07 0.00 0.00 0.00 179.25 179.50 2wxn h LEU 580 N 0.74 0.22 -0.39 0.00 3.38 -0.78 -1.56 115.31 116.92 2wxn h LEU 580 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 2wxn h LEU 580 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wxn h LEU 580 CO -0.23 0.15 -0.15 -0.08 0.09 0.00 0.00 178.44 178.22 2wxn h GLU 581 N 0.26 0.78 0.00 1.13 4.81 -1.25 -3.21 114.58 117.10 2wxn h GLU 581 Ca 0.17 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2wxn h GLU 581 Cb 0.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2wxn h GLU 581 CO -0.03 0.94 0.00 -0.07 -0.73 0.00 0.00 179.01 179.12 2wxn h LEU 582 N 0.59 0.00 -0.23 1.64 3.38 -1.05 -1.61 115.31 118.02 2wxn h LEU 582 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wxn h LEU 582 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wxn h LEU 582 CO 0.05 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.76 2wxn n LEU 583 N -2.89 0.37 -4.76 1.67 4.77 -1.14 -4.59 117.00 110.44 2wxn n LEU 583 Ca -0.00 0.57 -0.34 0.00 -0.03 0.00 0.00 56.01 56.21 2wxn n LEU 583 Cb 0.21 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.86 2wxn n LEU 583 CO 0.23 -0.30 0.77 -0.62 -1.33 0.00 0.00 177.39 176.14 2wxn s ASP 584 N -3.68 4.93 0.56 -1.43 2.15 -0.61 -4.90 116.67 113.69 2wxn s ASP 584 Ca 0.08 2.15 0.26 0.00 0.43 0.00 0.00 52.55 55.47 2wxn s ASP 584 Cb 0.12 -2.57 1.49 0.00 -0.30 0.00 0.00 42.92 41.66 2wxn s ASP 584 CO 0.41 -1.75 2.02 0.15 -0.17 0.00 0.00 175.17 175.83 2wxn h PHE 585 N 0.14 0.00 0.00 -5.34 3.57 -1.90 0.70 116.94 114.11 2wxn h PHE 585 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2wxn h PHE 585 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2wxn h PHE 585 CO 0.51 0.00 0.22 0.43 -2.23 0.00 0.00 178.31 177.24 2wxn n SER 586 N -4.08 0.00 -3.24 0.41 7.64 -1.26 -3.31 113.62 109.78 2wxn n SER 586 Ca 0.06 0.19 -0.24 0.00 1.01 0.00 0.00 58.87 59.89 2wxn n SER 586 Cb 0.50 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 2wxn n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxn n PHE 587 N -1.15 1.03 0.05 1.43 3.72 0.24 -4.91 117.46 117.87 2wxn n PHE 587 Ca 0.00 -3.78 -0.05 0.00 -0.05 0.00 0.00 57.45 53.57 2wxn n PHE 587 Cb 0.22 -0.42 0.15 0.00 -0.94 0.00 0.00 39.48 38.48 2wxn n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxn h PRO 588 N 3.86 0.37 -6.22 -1.08 0.13 -1.78 -3.43 132.00 123.85 2wxn h PRO 588 Ca 0.11 -0.20 -0.69 0.00 -0.87 0.00 0.00 66.00 64.35 2wxn h PRO 588 Cb 0.81 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.01 2wxn h PRO 588 CO 0.59 0.76 0.31 -3.47 -0.23 0.00 0.00 178.00 175.96 2wxn n ASP 589 N -3.99 1.18 0.23 1.44 2.03 -1.26 -4.80 116.55 111.39 2wxn n ASP 589 Ca -0.02 1.13 0.10 0.00 0.52 0.00 0.00 54.79 56.52 2wxn n ASP 589 Cb 0.53 -1.14 0.55 0.00 -0.72 0.00 0.00 41.12 40.35 2wxn n ASP 589 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wxn h TYR 591 N 0.00 1.03 -0.70 0.00 0.05 -1.97 -1.62 116.97 113.77 2wxn h TYR 591 Ca -0.00 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 58.40 2wxn h TYR 591 Cb 0.59 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2wxn h TYR 591 CO 0.00 1.19 0.43 0.28 -1.05 0.00 0.00 178.16 179.01 2wxn h VAL 592 N 0.58 1.19 -0.26 -2.88 2.07 -1.86 -2.49 116.25 112.60 2wxn h VAL 592 Ca 0.01 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2wxn h VAL 592 Cb 1.13 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2wxn h VAL 592 CO 0.12 0.20 -0.01 1.23 0.02 0.00 0.00 177.57 179.13 2wxn h GLY 593 N 0.95 0.50 0.50 2.17 0.00 -1.24 -0.88 103.07 105.07 2wxn h GLY 593 Ca 0.25 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.29 2wxn h GLY 593 CO -0.05 0.34 0.29 0.23 0.00 0.00 0.00 176.54 177.35 2wxn h SER 594 N 0.24 0.37 -0.40 0.19 0.87 -1.34 -0.64 113.55 112.82 2wxn h SER 594 Ca 0.07 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2wxn h SER 594 Cb 0.43 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2wxn h SER 594 CO 0.01 0.22 0.27 0.15 -0.53 0.00 0.00 176.83 176.95 2wxn h PHE 595 N 0.52 0.49 -0.07 2.24 3.57 -1.03 -0.80 116.94 121.86 2wxn h PHE 595 Ca 0.31 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.65 2wxn h PHE 595 Cb 0.32 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.90 2wxn h PHE 595 CO -0.13 0.30 -0.63 0.00 -2.23 0.00 0.00 178.31 175.63 2wxn h ALA 596 N 1.75 0.18 -0.23 2.41 0.00 0.21 -1.07 119.26 122.52 2wxn h ALA 596 Ca 0.15 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2wxn h ALA 596 Cb -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2wxn h ALA 596 CO -0.03 0.45 -0.06 0.82 0.00 0.00 0.00 179.25 180.43 2wxn h ILE 597 N 0.16 0.77 -0.51 0.00 1.08 -0.97 -0.68 117.51 117.36 2wxn h ILE 597 Ca -0.06 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 2wxn h ILE 597 Cb 1.29 0.77 -0.10 0.00 -3.07 0.00 0.00 36.82 35.70 2wxn h ILE 597 CO 0.13 0.00 -0.27 0.50 -0.69 0.00 0.00 178.15 177.81 2wxn h LYS 598 N -0.00 -0.15 0.00 2.37 3.64 -1.09 0.17 116.57 121.51 2wxn h LYS 598 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2wxn h LYS 598 Cb 0.17 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2wxn h LYS 598 CO -0.24 -0.10 -0.05 0.77 -2.27 0.00 0.00 179.45 177.57 2wxn h SER 599 N -0.15 0.00 0.42 4.20 0.02 -0.52 -3.00 113.55 114.51 2wxn h SER 599 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wxn h SER 599 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2wxn h SER 599 CO -0.60 0.05 -0.69 0.18 -1.14 0.00 0.00 176.83 174.63 2wxn n LEU 600 N -3.43 0.63 0.26 5.07 4.77 0.53 -4.04 117.00 120.78 2wxn n LEU 600 Ca -0.02 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2wxn n LEU 600 Cb 0.17 -0.17 0.86 0.00 -2.33 0.00 0.00 43.42 41.95 2wxn n LEU 600 CO 0.26 0.12 1.13 0.03 -1.33 0.00 0.00 177.39 177.60 2wxn h ARG 601 N 0.00 0.00 0.00 3.23 3.08 -1.18 -0.96 114.38 118.56 2wxn h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxn h ARG 601 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2wxn h ARG 601 CO 0.00 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.26 2wxn n LYS 602 N -3.92 0.65 -1.79 0.04 2.85 -1.26 -4.76 118.16 109.97 2wxn n LYS 602 Ca -0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 2wxn n LYS 602 Cb 0.16 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.01 2wxn n LYS 602 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wxn s LEU 603 N -2.02 4.37 0.95 -5.58 1.43 -0.37 -4.96 118.68 112.50 2wxn s LEU 603 Ca 0.31 2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 56.09 2wxn s LEU 603 Cb 0.15 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.93 2wxn s LEU 603 CO 0.25 -0.93 1.09 0.42 0.23 0.00 0.00 176.35 177.41 2wxn s THR 604 N 1.15 2.45 0.20 5.49 -4.23 -1.26 -4.78 115.64 114.66 2wxn s THR 604 Ca 0.73 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 2wxn s THR 604 Cb -0.48 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2wxn s THR 604 CO 0.32 -0.19 1.81 0.44 -0.54 0.00 0.00 174.62 176.45 2wxn h ASP 605 N -1.78 0.92 -0.60 3.99 3.32 -1.98 -0.31 116.42 119.98 2wxn h ASP 605 Ca -0.51 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.35 2wxn h ASP 605 Cb 1.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 2wxn h ASP 605 CO 0.53 0.77 0.09 0.44 -1.72 0.00 0.00 179.24 179.34 2wxn h ASP 606 N 1.00 0.98 0.15 6.45 3.32 -1.98 0.50 116.42 126.84 2wxn h ASP 606 Ca 0.25 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2wxn h ASP 606 Cb 0.07 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2wxn h ASP 606 CO -0.04 0.99 -0.07 -0.33 -1.72 0.00 0.00 179.24 178.07 2wxn h GLU 607 N 0.96 -0.19 -0.36 3.56 5.08 -1.90 -1.48 114.58 120.25 2wxn h GLU 607 Ca 0.19 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 2wxn h GLU 607 Cb 0.44 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2wxn h GLU 607 CO 0.01 -0.00 -0.13 1.25 -1.00 0.00 0.00 179.01 179.14 2wxn h LEU 608 N -0.34 -0.45 -0.75 1.33 5.85 -0.43 -1.10 115.31 119.42 2wxn h LEU 608 Ca -0.02 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.97 2wxn h LEU 608 Cb 0.27 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 2wxn h LEU 608 CO 0.03 -0.16 0.27 0.15 -0.34 0.00 0.00 178.44 178.39 2wxn h PHE 609 N -0.06 0.45 -0.57 1.25 3.57 0.10 0.59 116.94 122.28 2wxn h PHE 609 Ca 0.18 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.84 2wxn h PHE 609 Cb 0.33 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2wxn h PHE 609 CO -0.36 0.02 0.39 0.37 -2.23 0.00 0.00 178.31 176.50 2wxn h GLN 610 N 0.39 0.25 0.00 1.11 5.75 -0.11 -3.10 115.11 119.40 2wxn h GLN 610 Ca 0.42 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 2wxn h GLN 610 Cb 0.66 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.16 2wxn h GLN 610 CO -0.43 0.16 0.00 0.66 -2.65 0.00 0.00 178.83 176.57 2wxn n TYR 611 N -4.45 0.00 -0.20 3.99 4.01 -0.70 -4.71 117.16 115.10 2wxn n TYR 611 Ca 0.10 -0.28 -0.03 0.00 -0.16 0.00 0.00 57.90 57.53 2wxn n TYR 611 Cb 0.46 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2wxn n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxn h LEU 612 N 0.00 -0.86 -0.93 7.72 5.85 -0.83 -1.28 115.31 124.98 2wxn h LEU 612 Ca 0.00 0.20 0.12 0.00 0.84 0.00 0.00 57.88 59.04 2wxn h LEU 612 Cb 0.30 0.48 -0.14 0.00 0.37 0.00 0.00 40.66 41.67 2wxn h LEU 612 CO 0.00 -0.26 -0.48 0.25 -0.34 0.00 0.00 178.44 177.61 2wxn h LEU 613 N -0.09 -1.75 -0.44 2.25 5.85 -1.84 -1.73 115.31 117.54 2wxn h LEU 613 Ca 0.26 0.31 -0.18 0.00 0.84 0.00 0.00 57.88 59.12 2wxn h LEU 613 Cb 0.51 0.83 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2wxn h LEU 613 CO -0.65 -0.27 -0.73 1.56 -0.34 0.00 0.00 178.44 178.00 2wxn h GLN 614 N -0.04 0.31 -0.07 1.25 7.50 -1.62 -2.84 115.11 119.59 2wxn h GLN 614 Ca 0.24 -0.26 0.01 0.00 0.50 0.00 0.00 58.65 59.15 2wxn h GLN 614 Cb 0.52 0.06 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 2wxn h GLN 614 CO -0.92 0.91 0.05 -0.07 -1.50 0.00 0.00 178.83 177.30 2wxn h LEU 615 N 0.21 0.03 -0.09 1.46 3.38 -0.51 -2.29 115.31 117.50 2wxn h LEU 615 Ca -0.03 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2wxn h LEU 615 Cb 1.30 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2wxn h LEU 615 CO 0.12 0.02 -1.01 0.58 0.09 0.00 0.00 178.44 178.24 2wxn h VAL 616 N 0.04 1.38 -0.27 1.22 2.07 -1.11 -3.18 116.25 116.40 2wxn h VAL 616 Ca 0.03 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2wxn h VAL 616 Cb 0.07 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2wxn h VAL 616 CO -0.00 0.74 0.17 1.56 0.02 0.00 0.00 177.57 180.06 2wxn h GLN 617 N 0.25 0.36 -1.17 1.57 1.08 -1.33 -1.85 115.11 114.02 2wxn h GLN 617 Ca -0.10 -0.03 0.34 0.00 -1.45 0.00 0.00 58.65 57.41 2wxn h GLN 617 Cb 1.66 -0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.91 2wxn h GLN 617 CO 0.18 0.25 0.76 0.28 -0.95 0.00 0.00 178.83 179.36 2wxn h VAL 618 N 0.36 0.36 -0.91 -0.54 2.07 -1.45 0.40 116.25 116.54 2wxn h VAL 618 Ca 0.10 -0.08 0.25 0.00 0.82 0.00 0.00 66.70 67.79 2wxn h VAL 618 Cb -0.02 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 29.71 2wxn h VAL 618 CO -0.02 0.04 0.33 -0.07 0.02 0.00 0.00 177.57 177.88 2wxn h LEU 619 N 0.24 0.16 -0.68 2.57 3.38 -1.31 0.74 115.31 120.41 2wxn h LEU 619 Ca 0.67 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.83 2wxn h LEU 619 Cb 1.99 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.96 2wxn h LEU 619 CO -0.30 -0.13 0.24 0.29 0.09 0.00 0.00 178.44 178.63 2wxn n LYS 620 N -5.16 0.07 0.04 1.13 5.02 0.14 -0.92 118.16 118.48 2wxn n LYS 620 Ca 0.24 0.51 0.12 0.00 -2.02 0.00 0.00 58.31 57.15 2wxn n LYS 620 Cb 0.75 -1.97 0.15 0.00 -0.02 0.00 0.00 35.03 33.93 2wxn n LYS 620 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wxn n TYR 621 N -1.87 0.37 -2.49 2.13 4.01 0.26 -4.75 117.16 114.82 2wxn n TYR 621 Ca -0.01 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.44 2wxn n TYR 621 Cb 0.26 -0.52 -0.04 0.00 -0.31 0.00 0.00 39.34 38.73 2wxn n TYR 621 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wxn s GLU 622 N -3.14 4.65 0.12 -0.72 0.41 -0.09 -4.97 118.70 114.96 2wxn s GLU 622 Ca 0.06 1.79 0.18 0.00 -0.41 0.00 0.00 54.97 56.59 2wxn s GLU 622 Cb 0.14 -3.20 -0.07 0.00 -1.78 0.00 0.00 34.13 29.22 2wxn s GLU 622 CO 0.74 0.22 0.94 0.77 -0.49 0.00 0.00 175.26 177.44 2wxn h SER 623 N 3.93 0.00 -3.60 -0.19 0.02 -1.93 -3.45 113.55 108.33 2wxn h SER 623 Ca -0.46 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.02 2wxn h SER 623 Cb 1.21 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 2wxn h SER 623 CO 0.67 0.39 -0.58 -0.31 -1.14 0.00 0.00 176.83 175.86 2wxn s TYR 624 N -3.06 1.80 -0.14 3.45 2.02 -1.26 -4.89 117.35 115.26 2wxn s TYR 624 Ca -0.02 -1.12 -0.23 0.00 -0.37 0.00 0.00 57.07 55.33 2wxn s TYR 624 Cb 0.09 -1.14 -0.25 0.00 -0.40 0.00 0.00 41.96 40.26 2wxn s TYR 624 CO 0.80 -0.18 0.57 -0.07 -1.57 0.00 0.00 175.55 175.10 2wxn h LEU 625 N 2.10 0.12 -8.61 -1.29 3.38 -1.92 -3.42 115.31 105.66 2wxn h LEU 625 Ca -0.38 -0.82 -0.55 0.00 0.09 0.00 0.00 57.88 56.22 2wxn h LEU 625 Cb 1.25 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 2wxn h LEU 625 CO 0.63 1.31 1.04 -0.62 0.09 0.00 0.00 178.44 180.89 2wxn s ASP 626 N -6.65 6.31 0.05 -0.43 2.15 -1.26 -4.94 116.67 111.90 2wxn s ASP 626 Ca -0.22 0.28 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 2wxn s ASP 626 Cb 0.02 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2wxn s ASP 626 CO 0.69 -1.56 -0.02 0.00 -0.17 0.00 0.00 175.17 174.11 2wxn h GLU 628 N 3.23 1.00 -0.14 0.00 4.39 -1.97 -2.24 114.58 118.85 2wxn h GLU 628 Ca -0.34 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 2wxn h GLU 628 Cb 1.15 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2wxn h GLU 628 CO 0.64 0.68 -0.28 1.25 -1.16 0.00 0.00 179.01 180.14 2wxn h LEU 629 N 1.02 0.27 0.01 1.33 5.85 -1.96 -2.16 115.31 119.67 2wxn h LEU 629 Ca 0.27 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wxn h LEU 629 Cb -0.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2wxn h LEU 629 CO -0.06 0.55 -0.00 0.74 -0.34 0.00 0.00 178.44 179.33 2wxn h THR 630 N 0.24 1.48 -0.58 1.05 2.02 -1.78 0.65 112.91 116.01 2wxn h THR 630 Ca 0.04 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 65.76 2wxn h THR 630 Cb 0.63 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 2wxn h THR 630 CO 0.05 0.38 0.33 0.50 0.37 0.00 0.00 175.52 177.15 2wxn h LYS 631 N -0.65 0.63 0.42 6.66 3.64 -1.50 -0.03 116.57 125.74 2wxn h LYS 631 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2wxn h LYS 631 Cb 0.64 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2wxn h LYS 631 CO 0.00 0.41 -0.45 0.35 -2.27 0.00 0.00 179.45 177.49 2wxn h PHE 632 N 0.64 -1.26 -0.79 1.91 3.57 -1.35 0.38 116.94 120.05 2wxn h PHE 632 Ca 0.24 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.86 2wxn h PHE 632 Cb 0.08 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 2wxn h PHE 632 CO -0.07 -0.59 0.42 -0.07 -2.23 0.00 0.00 178.31 175.76 2wxn h LEU 633 N -0.88 0.55 -0.52 0.59 3.38 -0.19 0.17 115.31 118.41 2wxn h LEU 633 Ca -0.05 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2wxn h LEU 633 Cb 0.77 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2wxn h LEU 633 CO -0.07 0.29 -0.11 0.25 0.09 0.00 0.00 178.44 178.89 2wxn h LEU 634 N 0.67 1.00 -0.04 1.67 5.85 -0.91 0.10 115.31 123.65 2wxn h LEU 634 Ca 0.40 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wxn h LEU 634 Cb 0.45 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2wxn h LEU 634 CO -0.29 1.12 0.02 1.23 -0.34 0.00 0.00 178.44 180.18 2wxn h GLY 635 N 0.87 0.06 1.61 3.75 0.00 0.57 -0.85 103.07 109.06 2wxn h GLY 635 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2wxn h GLY 635 CO 0.05 0.02 -0.30 3.21 0.00 0.00 0.00 176.54 179.52 2wxn h ARG 636 N -0.02 0.45 0.00 4.80 2.47 -0.61 -2.32 114.38 119.15 2wxn h ARG 636 Ca 0.01 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 2wxn h ARG 636 Cb 0.07 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2wxn h ARG 636 CO -0.00 0.71 -0.35 0.00 0.56 0.00 0.00 179.97 180.88 2wxn h ALA 637 N 1.29 1.24 0.00 0.04 0.00 -0.69 -2.02 119.26 119.12 2wxn h ALA 637 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wxn h ALA 637 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wxn h ALA 637 CO 0.06 0.44 -0.64 -0.07 0.00 0.00 0.00 179.25 179.04 2wxn h LEU 638 N 0.00 0.00 -0.07 0.00 3.38 -0.91 -3.25 115.31 114.46 2wxn h LEU 638 Ca -0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2wxn h LEU 638 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wxn h LEU 638 CO 0.05 0.00 -0.92 0.00 0.09 0.00 0.00 178.44 177.66 2wxn h ALA 639 N 2.03 0.44 -3.28 1.53 0.00 -1.12 -3.46 119.26 115.39 2wxn h ALA 639 Ca 0.00 -0.84 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 2wxn h ALA 639 Cb 0.98 -0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.27 2wxn h ALA 639 CO 0.00 1.15 -0.80 1.21 0.00 0.00 0.00 179.25 180.81 2wxn s ASN 640 N -6.70 1.93 0.21 0.00 3.84 -0.78 -4.52 114.94 108.92 2wxn s ASN 640 Ca 0.01 -0.28 0.07 0.00 0.21 0.00 0.00 52.86 52.87 2wxn s ASN 640 Cb 0.10 -0.79 0.12 0.00 -0.55 0.00 0.00 41.25 40.13 2wxn s ASN 640 CO 0.81 -0.07 1.47 -0.09 -2.79 0.00 0.00 177.10 176.43 2wxn h ARG 641 N 7.71 0.09 -0.44 0.43 2.43 -0.56 -1.63 114.38 122.42 2wxn h ARG 641 Ca -0.30 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.81 2wxn h ARG 641 Cb 1.15 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2wxn h ARG 641 CO 0.43 0.81 0.24 -0.22 -1.51 0.00 0.00 179.97 179.72 2wxn h LYS 642 N 0.05 0.47 -0.48 0.20 3.64 -1.83 0.28 116.57 118.90 2wxn h LYS 642 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wxn h LYS 642 Cb 1.35 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2wxn h LYS 642 CO 0.11 0.31 0.31 0.82 -2.27 0.00 0.00 179.45 178.73 2wxn h ILE 643 N 0.48 1.13 -0.32 2.00 1.08 -1.83 -2.09 117.51 117.96 2wxn h ILE 643 Ca 0.18 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2wxn h ILE 643 Cb 0.06 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2wxn h ILE 643 CO -0.11 0.13 0.18 1.23 -0.69 0.00 0.00 178.15 178.89 2wxn h GLY 644 N 0.65 0.44 -0.24 5.37 0.00 -0.99 0.29 103.07 108.59 2wxn h GLY 644 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.41 2wxn h GLY 644 CO -0.04 0.12 -0.52 0.84 0.00 0.00 0.00 176.54 176.94 2wxn h HIS 645 N 0.37 -1.57 0.00 5.60 -0.00 -0.17 -2.36 115.15 117.02 2wxn h HIS 645 Ca 0.13 0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.44 2wxn h HIS 645 Cb 0.02 0.72 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 2wxn h HIS 645 CO -0.08 -0.49 -0.62 0.74 -0.00 0.00 0.00 177.93 177.48 2wxn h PHE 646 N -0.47 0.00 -0.69 5.26 0.04 -1.09 -2.73 116.94 117.26 2wxn h PHE 646 Ca 0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2wxn h PHE 646 Cb 0.61 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 2wxn h PHE 646 CO -0.64 0.62 0.38 1.25 -0.60 0.00 0.00 178.31 179.32 2wxn h LEU 647 N 0.00 0.85 -0.07 1.54 5.85 -0.77 -0.10 115.31 122.61 2wxn h LEU 647 Ca -0.01 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wxn h LEU 647 Cb 1.15 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2wxn h LEU 647 CO 0.08 0.70 0.04 0.15 -0.34 0.00 0.00 178.44 179.06 2wxn h PHE 648 N 0.94 0.10 -0.55 1.25 3.57 -1.22 -0.37 116.94 120.67 2wxn h PHE 648 Ca 0.24 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 2wxn h PHE 648 Cb 0.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2wxn h PHE 648 CO -0.01 0.18 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.72 2wxn h TRP 649 N -0.00 1.09 -0.92 0.41 4.06 -1.20 0.54 115.95 119.92 2wxn h TRP 649 Ca 0.02 -0.20 0.17 0.00 2.06 0.00 0.00 58.89 60.94 2wxn h TRP 649 Cb 0.11 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 27.91 2wxn h TRP 649 CO -0.04 1.00 0.59 0.45 -3.56 0.00 0.00 178.44 176.88 2wxn h HIS 650 N 0.87 0.80 0.04 0.49 3.86 -0.77 0.68 115.15 121.12 2wxn h HIS 650 Ca 0.15 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2wxn h HIS 650 Cb 0.59 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.82 2wxn h HIS 650 CO 0.04 0.25 -0.30 -0.07 0.86 0.00 0.00 177.93 178.71 2wxn h LEU 651 N 0.63 0.18 -1.22 2.43 3.38 0.13 -3.32 115.31 117.53 2wxn h LEU 651 Ca 0.48 -0.95 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2wxn h LEU 651 Cb 0.88 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2wxn h LEU 651 CO -0.23 1.12 0.54 -0.09 0.09 0.00 0.00 178.44 179.86 2wxn h ARG 652 N -0.72 0.96 0.00 1.13 9.65 0.45 -2.21 114.38 123.65 2wxn h ARG 652 Ca -0.05 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2wxn h ARG 652 Cb 1.20 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2wxn h ARG 652 CO 0.06 0.64 0.00 -1.13 2.80 0.00 0.00 179.97 182.33 2wxn n SER 653 N -4.46 0.08 -0.44 -3.80 3.41 0.20 -2.45 113.62 106.16 2wxn n SER 653 Ca 0.11 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.30 2wxn n SER 653 Cb 0.14 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 63.67 2wxn n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxn n GLU 654 N -1.60 2.76 0.05 4.33 1.02 -0.83 -4.20 120.64 122.17 2wxn n GLU 654 Ca 0.02 -2.08 0.09 0.00 -0.02 0.00 0.00 57.16 55.17 2wxn n GLU 654 Cb 0.10 -1.31 0.38 0.00 -0.02 0.00 0.00 31.44 30.58 2wxn n GLU 654 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wxn n MET 655 N -0.14 0.07 0.00 3.49 2.81 -1.03 -1.33 117.12 121.00 2wxn n MET 655 Ca 0.10 0.31 0.13 0.00 -1.81 0.00 0.00 57.70 56.44 2wxn n MET 655 Cb 0.47 -1.63 0.49 0.00 -0.71 0.00 0.00 33.22 31.84 2wxn n MET 655 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2wxn n HIS 656 N -1.76 0.00 -3.08 2.03 1.44 -1.26 -4.65 115.22 107.94 2wxn n HIS 656 Ca 0.03 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.31 2wxn n HIS 656 Cb 0.19 -0.34 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 2wxn n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxn s VAL 657 N -2.87 4.76 0.47 0.61 1.01 -0.44 -4.92 120.40 119.01 2wxn s VAL 657 Ca 0.17 -0.11 0.25 0.00 0.00 0.00 0.00 61.98 62.28 2wxn s VAL 657 Cb 0.19 -4.31 0.44 0.00 0.00 0.00 0.00 36.38 32.69 2wxn s VAL 657 CO 0.57 -0.79 1.84 -0.65 0.00 0.00 0.00 175.10 176.08 2wxn h PRO 658 N 9.01 0.22 0.00 2.72 0.11 -1.87 0.24 132.00 142.43 2wxn h PRO 658 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2wxn h PRO 658 Cb 1.09 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wxn h PRO 658 CO 0.96 0.14 -0.04 0.66 -0.21 0.00 0.00 178.00 179.52 2wxn h SER 659 N 0.22 0.00 -0.00 -2.05 4.64 -1.95 -3.28 113.55 111.14 2wxn h SER 659 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2wxn h SER 659 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2wxn h SER 659 CO -0.13 0.04 -0.07 1.33 -0.87 0.00 0.00 176.83 177.13 2wxn n VAL 660 N -3.14 0.00 -0.18 0.95 0.24 -0.04 -4.83 118.33 111.33 2wxn n VAL 660 Ca 0.01 -0.47 -0.06 0.00 -2.04 0.00 0.00 64.34 61.78 2wxn n VAL 660 Cb 0.35 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 2wxn n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxn h ALA 661 N 0.20 -0.07 0.50 2.33 0.00 -1.29 -0.94 119.26 119.99 2wxn h ALA 661 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wxn h ALA 661 Cb 0.03 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wxn h ALA 661 CO 0.00 -0.69 -0.24 1.25 0.00 0.00 0.00 179.25 179.57 2wxn h LEU 662 N -0.19 -0.57 -0.71 0.00 5.85 -1.88 0.07 115.31 117.88 2wxn h LEU 662 Ca 0.21 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2wxn h LEU 662 Cb 0.54 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.61 2wxn h LEU 662 CO -0.63 -0.22 -0.52 -0.09 -0.34 0.00 0.00 178.44 176.63 2wxn h ARG 663 N -0.97 -0.18 -0.31 1.25 2.43 -1.86 -1.02 114.38 113.73 2wxn h ARG 663 Ca -0.07 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2wxn h ARG 663 Cb 0.61 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2wxn h ARG 663 CO 0.11 -0.12 -0.13 0.74 -1.51 0.00 0.00 179.97 179.07 2wxn h PHE 664 N -0.18 0.58 0.35 2.20 -1.00 -1.09 -2.75 116.94 115.05 2wxn h PHE 664 Ca 0.16 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 2wxn h PHE 664 Cb 0.52 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.93 2wxn h PHE 664 CO -0.84 0.65 -0.17 0.78 -1.61 0.00 0.00 178.31 177.12 2wxn h GLY 665 N 0.94 -0.49 -0.01 -1.45 0.00 -0.24 -1.57 103.07 100.25 2wxn h GLY 665 Ca 0.09 0.18 0.19 0.00 0.00 0.00 0.00 47.33 47.79 2wxn h GLY 665 CO 0.03 -0.18 0.42 1.41 0.00 0.00 0.00 176.54 178.23 2wxn h LEU 666 N -0.55 0.44 -0.16 3.11 3.38 -1.07 -1.47 115.31 118.98 2wxn h LEU 666 Ca -0.05 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2wxn h LEU 666 Cb 0.41 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2wxn h LEU 666 CO 0.08 0.10 -0.02 0.40 0.09 0.00 0.00 178.44 179.09 2wxn h ILE 667 N 0.51 1.27 -0.90 1.22 2.04 -1.18 -2.48 117.51 118.00 2wxn h ILE 667 Ca 0.52 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2wxn h ILE 667 Cb 0.89 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 2wxn h ILE 667 CO -0.45 0.28 0.59 0.24 0.00 0.00 0.00 178.15 178.81 2wxn h MET 668 N 0.02 1.11 -0.12 2.37 2.86 -0.68 -1.26 114.93 119.23 2wxn h MET 668 Ca 0.04 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2wxn h MET 668 Cb 0.43 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2wxn h MET 668 CO 0.01 0.74 -0.09 1.49 1.06 0.00 0.00 176.91 180.12 2wxn h GLU 669 N 1.15 -0.09 0.12 1.72 4.81 -1.19 -1.95 114.58 119.13 2wxn h GLU 669 Ca 0.36 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2wxn h GLU 669 Cb -0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2wxn h GLU 669 CO -0.10 -0.06 -0.23 0.00 -0.73 0.00 0.00 179.01 177.89 2wxn h ALA 670 N 1.00 -0.38 -0.76 2.92 0.00 -0.85 -1.34 119.26 119.85 2wxn h ALA 670 Ca 0.08 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.10 2wxn h ALA 670 Cb 0.21 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 2wxn h ALA 670 CO -0.18 -0.76 -0.19 -0.92 0.00 0.00 0.00 179.25 177.20 2wxn h TYR 671 N -0.42 -0.41 -0.83 0.00 3.20 -1.20 0.32 116.97 117.64 2wxn h TYR 671 Ca 0.03 0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.04 2wxn h TYR 671 Cb 0.44 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 2wxn h TYR 671 CO -0.21 -0.33 0.54 0.00 -1.64 0.00 0.00 178.16 176.52 2wxn h ARG 673 N 0.85 0.80 -0.73 0.00 2.47 0.01 -1.80 114.38 115.99 2wxn h ARG 673 Ca 0.37 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2wxn h ARG 673 Cb 0.32 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2wxn h ARG 673 CO -0.14 0.94 0.01 0.41 0.56 0.00 0.00 179.97 181.75 2wxn n GLY 674 N -0.26 2.51 2.71 0.04 0.00 -0.56 -4.49 105.19 105.14 2wxn n GLY 674 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 2wxn n GLY 674 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wxn n SER 675 N 0.38 -2.00 -0.27 1.61 2.88 -0.68 -4.25 113.62 111.28 2wxn n SER 675 Ca 0.19 -2.81 -0.01 0.00 -1.33 0.00 0.00 58.87 54.92 2wxn n SER 675 Cb 0.89 1.50 0.12 0.00 -0.75 0.00 0.00 64.21 65.97 2wxn n SER 675 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2wxn h THR 676 N 2.06 1.01 -0.12 2.46 2.02 -1.76 -2.00 112.91 116.58 2wxn h THR 676 Ca -0.19 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2wxn h THR 676 Cb 1.13 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2wxn h THR 676 CO 0.09 0.15 0.07 -0.74 0.37 0.00 0.00 175.52 175.46 2wxn h HIS 677 N 0.84 0.16 -0.28 3.16 -0.00 -1.84 -2.66 115.15 114.54 2wxn h HIS 677 Ca 0.33 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.70 2wxn h HIS 677 Cb 0.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2wxn h HIS 677 CO -0.05 0.17 0.15 1.25 -0.00 0.00 0.00 177.93 179.45 2wxn h HIS 678 N 0.11 0.36 0.06 5.26 -0.00 -1.73 -2.35 115.15 116.85 2wxn h HIS 678 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2wxn h HIS 678 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2wxn h HIS 678 CO -0.05 0.25 -0.09 1.98 -0.00 0.00 0.00 177.93 180.02 2wxn h MET 679 N 0.38 -0.18 -0.94 5.26 -1.53 -1.09 -1.25 114.93 115.58 2wxn h MET 679 Ca 0.10 0.01 0.19 0.00 -3.44 0.00 0.00 59.70 56.56 2wxn h MET 679 Cb 0.01 0.04 -0.11 0.00 -0.55 0.00 0.00 31.60 30.99 2wxn h MET 679 CO -0.02 -0.12 0.52 0.87 0.14 0.00 0.00 176.91 178.30 2wxn h LYS 680 N -0.19 0.61 -0.37 0.39 1.57 -1.11 -1.43 116.57 116.03 2wxn h LYS 680 Ca 0.02 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2wxn h LYS 680 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2wxn h LYS 680 CO -0.05 0.40 -0.31 0.28 -0.57 0.00 0.00 179.45 179.20 2wxn h VAL 681 N 0.63 1.28 -0.03 0.50 2.07 -0.96 -2.73 116.25 117.01 2wxn h VAL 681 Ca 0.55 -1.47 -0.19 0.00 0.82 0.00 0.00 66.70 66.42 2wxn h VAL 681 Cb 0.91 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2wxn h VAL 681 CO -0.42 0.49 -0.80 -0.07 0.02 0.00 0.00 177.57 176.79 2wxn h LEU 682 N 0.69 0.31 -0.66 2.57 3.38 -0.79 -2.94 115.31 117.88 2wxn h LEU 682 Ca 0.08 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2wxn h LEU 682 Cb 0.86 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2wxn h LEU 682 CO 0.08 0.99 0.41 0.24 0.09 0.00 0.00 178.44 180.24 2wxn h MET 683 N 0.16 0.77 -0.43 1.13 2.86 -1.25 0.15 114.93 118.32 2wxn h MET 683 Ca -0.04 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2wxn h MET 683 Cb 1.39 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.78 2wxn h MET 683 CO 0.13 0.51 -0.21 -0.22 1.06 0.00 0.00 176.91 178.17 2wxn h LYS 684 N 0.80 -0.13 -0.21 1.72 1.63 -1.36 0.23 116.57 119.26 2wxn h LYS 684 Ca 0.26 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 2wxn h LYS 684 Cb 0.02 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2wxn h LYS 684 CO -0.11 -0.08 0.00 1.96 -3.45 0.00 0.00 179.45 177.77 2wxn h GLN 685 N -0.13 0.07 -0.50 1.90 4.20 -1.13 -2.37 115.11 117.15 2wxn h GLN 685 Ca 0.20 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 2wxn h GLN 685 Cb 0.45 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2wxn h GLN 685 CO -0.51 0.04 0.04 0.78 -0.67 0.00 0.00 178.83 178.52 2wxn h GLY 686 N 0.07 0.87 0.93 3.46 0.00 -0.25 -1.69 103.07 106.46 2wxn h GLY 686 Ca 0.10 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.95 2wxn h GLY 686 CO -0.16 0.52 0.51 0.83 0.00 0.00 0.00 176.54 178.23 2wxn h GLU 687 N 0.76 0.75 -0.07 4.80 5.08 -0.36 0.74 114.58 126.29 2wxn h GLU 687 Ca 0.16 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2wxn h GLU 687 Cb 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2wxn h GLU 687 CO 0.01 0.50 -0.68 0.00 -1.00 0.00 0.00 179.01 177.84 2wxn h ALA 688 N 1.59 0.71 0.01 3.43 0.00 -0.79 -2.97 119.26 121.23 2wxn h ALA 688 Ca 0.34 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2wxn h ALA 688 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wxn h ALA 688 CO -0.12 0.76 -0.87 -0.07 0.00 0.00 0.00 179.25 178.94 2wxn h LEU 689 N 0.22 0.12 0.03 0.00 3.38 -0.92 -2.26 115.31 115.86 2wxn h LEU 689 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2wxn h LEU 689 Cb 1.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2wxn h LEU 689 CO 0.11 0.93 -0.03 -1.28 0.09 0.00 0.00 178.44 178.26 2wxn h SER 690 N 0.04 -0.08 -0.28 -0.43 0.87 -0.73 -1.76 113.55 111.18 2wxn h SER 690 Ca -0.03 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2wxn h SER 690 Cb 1.52 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 2wxn h SER 690 CO 0.12 -0.05 0.01 0.11 -0.53 0.00 0.00 176.83 176.49 2wxn h LYS 691 N -0.07 0.09 -0.80 2.24 1.79 -1.40 -2.65 116.57 115.78 2wxn h LYS 691 Ca 0.00 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2wxn h LYS 691 Cb 0.07 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 2wxn h LYS 691 CO -0.01 0.06 0.46 -0.07 -1.08 0.00 0.00 179.45 178.80 2wxn h LEU 692 N 0.10 0.66 -1.40 2.94 3.38 -1.36 0.26 115.31 119.88 2wxn h LEU 692 Ca 0.13 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wxn h LEU 692 Cb 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2wxn h LEU 692 CO -0.22 0.38 0.31 0.50 0.09 0.00 0.00 178.44 179.51 2wxn h LYS 693 N 0.78 0.72 0.01 1.13 1.63 -1.08 1.17 116.57 120.93 2wxn h LYS 693 Ca 0.38 -0.06 -0.20 0.00 -0.85 0.00 0.00 60.65 59.92 2wxn h LYS 693 Cb 0.33 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2wxn h LYS 693 CO -0.24 0.51 -0.92 0.00 -3.45 0.00 0.00 179.45 175.35 2wxn h ALA 694 N 1.62 0.47 0.03 5.00 0.00 -0.91 -2.67 119.26 122.80 2wxn h ALA 694 Ca 0.19 -0.76 -0.25 0.00 0.00 0.00 0.00 54.91 54.09 2wxn h ALA 694 Cb -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wxn h ALA 694 CO -0.04 0.96 -0.99 1.25 0.00 0.00 0.00 179.25 180.43 2wxn h LEU 695 N 0.09 0.82 -0.40 0.00 5.85 0.34 -2.09 115.31 119.93 2wxn h LEU 695 Ca -0.05 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.89 2wxn h LEU 695 Cb 1.57 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2wxn h LEU 695 CO 0.14 1.49 0.17 -1.13 -0.34 0.00 0.00 178.44 178.76 2wxn h ASN 696 N 0.25 0.54 -0.61 1.25 -0.73 0.13 -2.09 115.58 114.32 2wxn h ASN 696 Ca -0.13 -0.15 0.10 0.00 1.87 0.00 0.00 56.30 57.98 2wxn h ASN 696 Cb 1.67 -0.14 -0.07 0.00 0.27 0.00 0.00 38.32 40.04 2wxn h ASN 696 CO 0.19 0.54 0.21 0.44 -0.37 0.00 0.00 177.43 178.45 2wxn h ASP 697 N 0.50 0.19 -0.72 1.15 3.32 -1.42 -0.96 116.42 118.48 2wxn h ASP 697 Ca 0.13 0.08 0.12 0.00 0.02 0.00 0.00 57.03 57.38 2wxn h ASP 697 Cb 0.17 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 2wxn h ASP 697 CO -0.01 0.11 0.32 0.15 -1.72 0.00 0.00 179.24 178.09 2wxn h PHE 698 N 0.39 0.55 -0.51 4.55 3.57 -1.16 -2.55 116.94 121.77 2wxn h PHE 698 Ca 0.31 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.72 2wxn h PHE 698 Cb 0.40 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2wxn h PHE 698 CO -0.18 0.13 -0.18 0.28 -2.23 0.00 0.00 178.31 176.14 2wxn h VAL 699 N 0.51 1.27 -0.73 1.41 2.07 -0.56 0.13 116.25 120.35 2wxn h VAL 699 Ca 0.38 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2wxn h VAL 699 Cb 0.50 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2wxn h VAL 699 CO -0.34 0.47 0.47 0.11 0.02 0.00 0.00 177.57 178.30 2wxn h LYS 700 N 0.89 0.97 0.56 1.57 1.57 -1.03 0.21 116.57 121.30 2wxn h LYS 700 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2wxn h LYS 700 Cb 0.76 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2wxn h LYS 700 CO 0.06 0.66 -0.27 0.28 -0.57 0.00 0.00 179.45 179.61 2wxn h VAL 701 N 0.99 0.02 -0.70 0.50 2.07 -1.31 -3.26 116.25 114.56 2wxn h VAL 701 Ca 0.26 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.46 2wxn h VAL 701 Cb -0.09 0.03 -0.13 0.00 -1.52 0.00 0.00 31.29 29.59 2wxn h VAL 701 CO -0.05 0.00 -0.33 -1.28 0.02 0.00 0.00 177.57 175.93 2wxn h SER 702 N -1.20 -1.15 0.11 0.57 0.87 -0.76 0.38 113.55 112.38 2wxn h SER 702 Ca -0.08 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2wxn h SER 702 Cb 0.59 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2wxn h SER 702 CO 0.13 -0.29 0.00 -1.54 -0.53 0.00 0.00 176.83 174.59 2wxn n SER 703 N -5.45 0.05 -0.51 6.23 3.41 0.06 -0.61 113.62 116.79 2wxn n SER 703 Ca 0.06 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2wxn n SER 703 Cb 0.37 -0.53 0.25 0.00 -0.26 0.00 0.00 64.21 64.04 2wxn n SER 703 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxn n GLN 704 N -1.56 1.42 -0.00 4.33 6.02 0.12 -4.32 117.38 123.39 2wxn n GLN 704 Ca 0.01 -1.02 0.01 0.00 -0.01 0.00 0.00 57.00 55.98 2wxn n GLN 704 Cb 0.04 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 2wxn n GLN 704 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wxn n LYS 705 N 0.11 5.64 -3.96 -1.09 4.01 0.21 -5.11 118.16 117.98 2wxn n LYS 705 Ca 0.13 -0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.81 2wxn n LYS 705 Cb 0.43 -0.63 -0.01 0.00 -0.51 0.00 0.00 35.03 34.31 2wxn n LYS 705 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2wxn s THR 706 N -1.27 0.00 0.30 -0.18 -1.32 -1.02 -5.13 115.64 107.02 2wxn s THR 706 Ca 0.00 -1.32 -0.15 0.00 -1.21 0.00 0.00 61.69 59.01 2wxn s THR 706 Cb 0.01 -2.76 -0.09 0.00 -1.51 0.00 0.00 72.50 68.15 2wxn s THR 706 CO 0.06 0.00 0.72 0.42 -2.21 0.00 0.00 174.62 173.62 2wxn s THR 707 N -2.68 4.67 0.23 5.08 -4.23 -1.26 -4.74 115.64 112.71 2wxn s THR 707 Ca 0.24 0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 2wxn s THR 707 Cb -0.03 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.36 2wxn s THR 707 CO 0.16 -0.11 1.71 0.50 -0.54 0.00 0.00 174.62 176.35 2wxn h LYS 708 N 2.49 0.32 -0.74 3.99 3.64 -1.97 0.14 116.57 124.44 2wxn h LYS 708 Ca -0.48 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2wxn h LYS 708 Cb 1.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 2wxn h LYS 708 CO 0.65 0.21 0.47 -1.35 -2.27 0.00 0.00 179.45 177.17 2wxn h PRO 709 N 0.33 0.90 -0.99 1.90 0.11 -2.00 -1.68 132.00 130.57 2wxn h PRO 709 Ca 0.38 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.44 2wxn h PRO 709 Cb 0.60 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.46 2wxn h PRO 709 CO -0.44 0.59 0.64 1.96 -0.21 0.00 0.00 178.00 180.54 2wxn h GLN 710 N 0.92 1.31 -0.15 1.05 4.20 -1.18 -2.40 115.11 118.87 2wxn h GLN 710 Ca 0.29 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 2wxn h GLN 710 Cb -0.01 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 2wxn h GLN 710 CO -0.10 0.88 -0.52 1.15 -0.67 0.00 0.00 178.83 179.57 2wxn h THR 711 N 1.34 1.33 -0.18 -0.54 2.02 -0.89 -2.88 112.91 113.12 2wxn h THR 711 Ca 0.36 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 2wxn h THR 711 Cb -0.13 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2wxn h THR 711 CO -0.07 0.54 -0.02 0.50 0.37 0.00 0.00 175.52 176.84 2wxn h LYS 712 N 0.33 0.33 -0.75 6.66 3.64 -1.06 -1.47 116.57 124.25 2wxn h LYS 712 Ca 0.01 -0.12 0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2wxn h LYS 712 Cb 1.03 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 2wxn h LYS 712 CO 0.09 0.57 0.50 1.49 -2.27 0.00 0.00 179.45 179.83 2wxn h GLU 713 N 0.07 0.43 0.03 1.90 4.57 -1.37 -1.63 114.58 118.58 2wxn h GLU 713 Ca 0.05 -0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.95 2wxn h GLU 713 Cb 0.43 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2wxn h GLU 713 CO 0.01 0.28 -1.05 0.52 -1.18 0.00 0.00 179.01 177.60 2wxn h MET 714 N 0.44 0.56 -0.44 1.92 2.86 -1.24 -2.25 114.93 116.78 2wxn h MET 714 Ca 0.36 -0.64 0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2wxn h MET 714 Cb 0.79 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 2wxn h MET 714 CO -0.12 1.25 -0.11 1.98 1.06 0.00 0.00 176.91 180.97 2wxn h MET 715 N 0.30 -0.00 -0.77 1.72 1.85 -0.84 0.54 114.93 117.73 2wxn h MET 715 Ca -0.12 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 2wxn h MET 715 Cb 1.71 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.70 2wxn h MET 715 CO 0.20 -0.00 0.34 0.45 -0.40 0.00 0.00 176.91 177.49 2wxn h HIS 716 N -0.00 1.14 -0.59 1.39 -0.00 -1.23 0.10 115.15 115.96 2wxn h HIS 716 Ca 0.21 -0.07 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2wxn h HIS 716 Cb 0.33 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 2wxn h HIS 716 CO -0.39 0.85 -0.02 0.52 -0.00 0.00 0.00 177.93 178.89 2wxn h MET 717 N 1.11 1.04 -0.41 2.45 2.86 -1.02 -0.89 114.93 120.07 2wxn h MET 717 Ca 0.26 -0.33 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2wxn h MET 717 Cb 0.17 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2wxn h MET 717 CO -0.03 1.03 -0.15 0.00 1.06 0.00 0.00 176.91 178.82 2wxn h MET 719 N 0.63 0.11 0.00 0.00 2.86 -0.81 -2.83 114.93 114.89 2wxn h MET 719 Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2wxn h MET 719 Cb 0.69 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2wxn h MET 719 CO 0.05 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.09 2wxn h ARG 720 N 0.12 0.00 -6.51 1.72 3.08 0.10 -3.16 114.38 109.73 2wxn h ARG 720 Ca 0.03 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.48 2wxn h ARG 720 Cb -0.01 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.14 2wxn h ARG 720 CO -0.01 0.00 0.30 1.04 -1.07 0.00 0.00 179.97 180.23 2wxn n GLN 721 N -2.72 1.55 -0.20 0.04 6.02 -1.07 -4.71 117.38 116.29 2wxn n GLN 721 Ca 0.03 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 2wxn n GLN 721 Cb 0.36 -2.02 0.09 0.00 1.02 0.00 0.00 30.24 29.69 2wxn n GLN 721 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2wxn h GLU 722 N 2.71 0.10 -0.53 -1.09 5.08 -1.90 -0.10 114.58 118.86 2wxn h GLU 722 Ca -0.42 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2wxn h GLU 722 Cb 1.32 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2wxn h GLU 722 CO 0.65 0.07 0.35 1.79 -1.00 0.00 0.00 179.01 180.87 2wxn h THR 723 N 0.11 1.13 0.08 1.13 1.35 -1.94 -0.95 112.91 113.81 2wxn h THR 723 Ca 0.31 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2wxn h THR 723 Cb 0.50 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2wxn h THR 723 CO -0.52 0.13 -0.04 1.88 -0.25 0.00 0.00 175.52 176.72 2wxn h TYR 724 N 0.71 -0.10 -0.98 4.73 -1.99 -1.32 -2.34 116.97 115.69 2wxn h TYR 724 Ca 0.20 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.06 2wxn h TYR 724 Cb -0.06 0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.61 2wxn h TYR 724 CO -0.00 0.45 0.60 0.52 -0.00 0.00 0.00 178.16 179.73 2wxn h MET 725 N -0.89 0.88 -0.57 4.88 2.86 -1.28 0.18 114.93 121.00 2wxn h MET 725 Ca -0.01 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2wxn h MET 725 Cb 0.59 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2wxn h MET 725 CO 0.02 0.58 0.18 1.49 1.06 0.00 0.00 176.91 180.23 2wxn h GLU 726 N 0.90 0.89 0.00 1.72 4.81 -1.29 -3.13 114.58 118.48 2wxn h GLU 726 Ca 0.51 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 2wxn h GLU 726 Cb 0.59 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2wxn h GLU 726 CO -0.30 0.80 -0.89 0.00 -0.73 0.00 0.00 179.01 177.89 2wxn h ALA 727 N 1.04 0.64 -0.01 2.92 0.00 -0.48 -3.28 119.26 120.09 2wxn h ALA 727 Ca 0.18 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wxn h ALA 727 Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wxn h ALA 727 CO -0.01 0.80 -0.23 1.28 0.00 0.00 0.00 179.25 181.10 2wxn n LEU 728 N -3.11 0.79 -4.57 0.00 4.77 0.47 -3.97 117.00 111.38 2wxn n LEU 728 Ca -0.03 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 2wxn n LEU 728 Cb 0.80 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 2wxn n LEU 728 CO 0.42 0.15 -0.41 -0.44 -1.33 0.00 0.00 177.39 175.78 2wxn s SER 729 N -2.55 4.27 -0.83 -1.43 0.01 -1.18 -4.72 113.70 107.27 2wxn s SER 729 Ca 0.24 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2wxn s SER 729 Cb 0.19 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 2wxn s SER 729 CO 0.52 0.12 0.70 1.41 0.41 0.00 0.00 173.24 176.40 2wxn n HIS 730 N 0.18 -1.67 -4.30 2.43 8.25 -0.00 -4.97 115.22 115.14 2wxn n HIS 730 Ca -0.11 0.66 -0.16 0.00 -0.26 0.00 0.00 57.72 57.85 2wxn n HIS 730 Cb 0.55 -4.03 -0.10 0.00 1.12 0.00 0.00 29.99 27.52 2wxn n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxn s LEU 731 N -5.00 1.99 0.20 2.41 2.34 -0.64 -4.99 118.68 114.98 2wxn s LEU 731 Ca 0.13 -1.26 -0.20 0.00 0.06 0.00 0.00 54.13 52.85 2wxn s LEU 731 Cb -0.02 -0.11 -0.08 0.00 -0.56 0.00 0.00 46.19 45.43 2wxn s LEU 731 CO 0.53 -0.60 0.71 -1.10 -1.06 0.00 0.00 176.35 174.83 2wxn s GLN 732 N -3.94 4.28 -0.03 1.48 -0.21 -1.26 0.23 119.66 120.21 2wxn s GLN 732 Ca 0.30 0.88 -0.30 0.00 0.02 0.00 0.00 55.36 56.27 2wxn s GLN 732 Cb 0.07 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 2wxn s GLN 732 CO 0.09 0.45 1.46 0.45 -2.12 0.00 0.00 175.29 175.62 2wxn s SER 733 N -1.53 6.80 0.64 5.90 0.15 -0.22 -4.86 113.70 120.59 2wxn s SER 733 Ca 0.40 2.11 0.33 0.00 0.70 0.00 0.00 55.95 59.49 2wxn s SER 733 Cb -0.18 -2.55 1.85 0.00 -1.71 0.00 0.00 66.02 63.43 2wxn s SER 733 CO 0.22 -0.79 2.10 -0.65 1.20 0.00 0.00 173.24 175.32 2wxn h PRO 734 N 8.34 0.00 0.00 5.44 0.11 -1.95 -1.53 132.00 142.41 2wxn h PRO 734 Ca -0.37 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 2wxn h PRO 734 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2wxn h PRO 734 CO 0.93 0.00 -0.35 -0.07 -0.21 0.00 0.00 178.00 178.29 2wxn h LEU 735 N 0.00 0.00 -6.13 2.35 3.38 -1.96 -3.43 115.31 109.52 2wxn h LEU 735 Ca 0.04 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2wxn h LEU 735 Cb 0.45 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.99 2wxn h LEU 735 CO -0.00 0.35 -0.04 -0.62 0.09 0.00 0.00 178.44 178.22 2wxn s ASP 736 N -6.36 -0.91 0.65 -0.43 -1.08 -0.59 -4.89 116.67 103.06 2wxn s ASP 736 Ca 0.01 0.69 0.44 0.00 -0.52 0.00 0.00 52.55 53.17 2wxn s ASP 736 Cb 0.10 1.81 2.32 0.00 -1.46 0.00 0.00 42.92 45.69 2wxn s ASP 736 CO 0.68 -0.17 2.33 1.55 0.52 0.00 0.00 175.17 180.08 2wxn h PRO 737 N 7.94 0.00 -0.00 4.34 0.13 -1.82 -2.12 132.00 140.47 2wxn h PRO 737 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2wxn h PRO 737 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2wxn h PRO 737 CO 0.09 0.00 -0.09 -1.13 -0.23 0.00 0.00 178.00 176.64 2wxn n SER 738 N -3.08 0.35 -4.65 1.44 3.41 -1.26 -4.62 113.62 105.21 2wxn n SER 738 Ca -0.03 -0.48 -0.39 0.00 -0.26 0.00 0.00 58.87 57.71 2wxn n SER 738 Cb 0.10 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 2wxn n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxn s THR 739 N -2.49 5.09 -0.20 6.66 2.01 -0.80 -0.19 115.64 125.72 2wxn s THR 739 Ca 0.29 0.93 -0.17 0.00 0.31 0.00 0.00 61.69 63.05 2wxn s THR 739 Cb 0.20 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2wxn s THR 739 CO 0.47 0.15 0.46 -0.76 -0.69 0.00 0.00 174.62 174.24 2wxn s LEU 740 N 1.85 4.15 -0.55 4.42 1.43 -1.26 -1.05 118.68 127.67 2wxn s LEU 740 Ca 0.23 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 2wxn s LEU 740 Cb -0.15 -2.61 0.14 0.00 0.03 0.00 0.00 46.19 43.60 2wxn s LEU 740 CO 0.09 -0.13 0.46 -0.76 0.23 0.00 0.00 176.35 176.24 2wxn s LEU 741 N 1.49 5.99 0.00 1.79 1.43 0.13 -4.92 118.68 124.59 2wxn s LEU 741 Ca 0.21 -2.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 2wxn s LEU 741 Cb -0.15 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2wxn s LEU 741 CO 0.09 -0.72 0.00 -0.62 0.23 0.00 0.00 176.35 175.32 2wxn n GLU 742 N 4.84 0.00 -3.13 1.70 -0.58 -1.26 -1.31 120.64 120.90 2wxn n GLU 742 Ca -0.07 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.27 2wxn n GLU 742 Cb 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.22 2wxn n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxn s GLU 743 N 0.05 4.17 -0.03 3.49 1.03 -0.85 -0.82 118.70 125.73 2wxn s GLU 743 Ca 0.00 0.57 -0.30 0.00 0.03 0.00 0.00 54.97 55.27 2wxn s GLU 743 Cb 0.00 -3.61 -0.04 0.00 -0.80 0.00 0.00 34.13 29.69 2wxn s GLU 743 CO 0.00 -0.30 1.22 0.54 -1.33 0.00 0.00 175.26 175.39 2wxn s VAL 744 N 2.13 4.17 -0.82 1.83 0.11 -1.26 -0.90 120.40 125.66 2wxn s VAL 744 Ca 0.27 1.51 -0.25 0.00 -2.93 0.00 0.00 61.98 60.58 2wxn s VAL 744 Cb -0.16 -3.97 0.04 0.00 -1.53 0.00 0.00 36.38 30.76 2wxn s VAL 744 CO 0.09 0.02 1.31 0.00 -3.33 0.00 0.00 175.10 173.19 2wxn h VAL 746 N 6.24 0.96 0.00 0.00 2.07 -1.93 -1.62 116.25 121.97 2wxn h VAL 746 Ca -0.14 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2wxn h VAL 746 Cb 1.04 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2wxn h VAL 746 CO 1.31 0.17 -0.10 -0.33 0.02 0.00 0.00 177.57 178.64 2wxn h GLU 747 N 0.91 0.00 -0.01 1.57 4.39 -1.97 -2.62 114.58 116.85 2wxn h GLU 747 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 2wxn h GLU 747 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2wxn h GLU 747 CO -0.20 0.10 -0.54 1.04 -1.16 0.00 0.00 179.01 178.25 2wxn n GLN 748 N -3.29 0.58 -2.61 2.33 1.13 -0.62 -4.91 117.38 110.00 2wxn n GLN 748 Ca -0.00 -0.42 -0.32 0.00 -1.94 0.00 0.00 57.00 54.32 2wxn n GLN 748 Cb 0.32 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.14 2wxn n GLN 748 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxn n THR 750 N -1.36 0.00 -3.85 0.00 5.66 -0.21 -5.00 114.28 109.52 2wxn n THR 750 Ca 0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 2wxn n THR 750 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 2wxn n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxn s PHE 751 N -2.16 -0.02 0.48 1.09 -0.12 -1.26 -1.74 117.98 114.25 2wxn s PHE 751 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 56.93 56.73 2wxn s PHE 751 Cb 0.00 -0.01 -0.08 0.00 -0.63 0.00 0.00 43.02 42.30 2wxn s PHE 751 CO 0.00 -0.27 0.92 -1.64 -0.05 0.00 0.00 175.22 174.18 2wxn s MET 752 N -1.17 3.91 0.00 1.99 -1.94 0.12 -4.95 119.30 117.27 2wxn s MET 752 Ca -0.13 0.82 0.31 0.00 -1.71 0.00 0.00 55.69 54.99 2wxn s MET 752 Cb -0.06 -2.21 1.84 0.00 2.01 0.00 0.00 34.83 36.40 2wxn s MET 752 CO 0.02 -0.19 2.18 -0.25 -0.01 0.00 0.00 175.02 176.77 2wxn n ASP 753 N -1.44 0.00 -4.68 3.03 8.00 -1.26 -4.05 116.55 116.15 2wxn n ASP 753 Ca 0.05 -1.01 -0.30 0.00 0.71 0.00 0.00 54.79 54.24 2wxn n ASP 753 Cb 0.54 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.79 2wxn n ASP 753 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2wxn s SER 754 N -1.98 3.13 0.11 -2.24 0.01 -1.26 -4.84 113.70 106.64 2wxn s SER 754 Ca 0.46 1.79 -0.21 0.00 1.31 0.00 0.00 55.95 59.30 2wxn s SER 754 Cb 0.21 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 2wxn s SER 754 CO 0.36 -2.90 1.17 1.17 0.41 0.00 0.00 173.24 173.45 2wxn n LYS 755 N -4.08 -0.30 0.00 12.44 4.81 -1.26 0.43 118.16 130.20 2wxn n LYS 755 Ca 0.08 1.15 0.09 0.00 -0.87 0.00 0.00 58.31 58.76 2wxn n LYS 755 Cb 0.54 -1.69 0.55 0.00 0.02 0.00 0.00 35.03 34.44 2wxn n LYS 755 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wxn n MET 756 N -4.69 0.97 -3.80 1.64 2.81 -1.26 -4.91 117.12 107.88 2wxn n MET 756 Ca 0.01 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.60 2wxn n MET 756 Cb 0.18 -1.29 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 2wxn n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxn n LYS 757 N -0.79 -1.09 -1.96 0.03 4.76 0.17 -4.67 118.16 114.60 2wxn n LYS 757 Ca 0.14 0.57 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 2wxn n LYS 757 Cb 0.06 -2.87 0.03 0.00 -1.84 0.00 0.00 35.03 30.41 2wxn n LYS 757 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2wxn s PRO 758 N -5.67 2.99 0.19 1.97 0.04 -1.26 -4.70 135.00 128.56 2wxn s PRO 758 Ca 0.21 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2wxn s PRO 758 Cb -0.10 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2wxn s PRO 758 CO 0.90 -1.13 0.58 -0.51 0.04 0.00 0.00 177.00 176.88 2wxn s LEU 759 N -4.36 4.27 -0.27 -3.56 1.43 0.15 -0.70 118.68 115.64 2wxn s LEU 759 Ca 0.71 1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2wxn s LEU 759 Cb -0.24 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.54 2wxn s LEU 759 CO 0.35 0.02 -0.06 0.86 0.23 0.00 0.00 176.35 177.75 2wxn s TRP 760 N -1.62 3.19 -0.16 0.29 -0.11 -0.71 -1.35 118.94 118.48 2wxn s TRP 760 Ca 0.42 -1.89 0.01 0.00 1.22 0.00 0.00 56.10 55.86 2wxn s TRP 760 Cb -0.14 -2.04 0.02 0.00 -1.50 0.00 0.00 33.47 29.82 2wxn s TRP 760 CO 0.20 -0.80 -0.18 0.42 -4.62 0.00 0.00 176.95 171.96 2wxn s ILE 761 N 1.23 1.84 0.18 5.86 -1.09 -0.08 -1.04 121.20 128.11 2wxn s ILE 761 Ca -0.04 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2wxn s ILE 761 Cb -0.19 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 2wxn s ILE 761 CO -0.04 0.51 0.34 -0.04 -1.23 0.00 0.00 174.94 174.48 2wxn s MET 762 N 1.24 3.47 0.05 2.79 -1.94 -1.26 -0.93 119.30 122.72 2wxn s MET 762 Ca 0.02 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 2wxn s MET 762 Cb -0.14 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 2wxn s MET 762 CO -0.09 0.46 -0.06 0.71 -0.01 0.00 0.00 175.02 176.02 2wxn s TYR 763 N -1.83 0.63 0.17 -0.03 2.02 -0.30 -2.08 117.35 115.93 2wxn s TYR 763 Ca 0.36 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2wxn s TYR 763 Cb -0.11 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2wxn s TYR 763 CO 0.29 -0.14 0.04 -1.54 -1.57 0.00 0.00 175.55 172.63 2wxn s SER 764 N -1.95 0.82 -0.12 2.29 1.04 -0.08 -3.18 113.70 112.52 2wxn s SER 764 Ca -0.05 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.12 2wxn s SER 764 Cb -0.06 0.20 0.06 0.00 0.10 0.00 0.00 66.02 66.33 2wxn s SER 764 CO -0.02 -0.66 0.23 -0.55 0.98 0.00 0.00 173.24 173.23 2wxn s SER 765 N -3.14 0.52 0.18 7.02 0.15 -1.22 -2.01 113.70 115.20 2wxn s SER 765 Ca 0.26 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 2wxn s SER 765 Cb 0.07 0.57 0.09 0.00 -1.71 0.00 0.00 66.02 65.04 2wxn s SER 765 CO 0.04 -0.25 1.74 -0.08 1.20 0.00 0.00 173.24 175.90 2wxn h GLU 766 N 8.31 0.97 0.00 5.44 4.81 -1.95 -2.47 114.58 129.69 2wxn h GLU 766 Ca -0.14 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 2wxn h GLU 766 Cb 1.12 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2wxn h GLU 766 CO 0.15 0.82 -0.27 1.49 -0.73 0.00 0.00 179.01 180.46 2wxn h GLU 767 N 0.91 0.00 0.00 1.92 4.57 -1.97 -2.79 114.58 117.21 2wxn h GLU 767 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2wxn h GLU 767 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2wxn h GLU 767 CO -0.02 0.27 -1.21 0.00 -1.18 0.00 0.00 179.01 176.87 2wxn n ALA 768 N -2.33 3.48 -0.11 2.92 0.00 -1.19 -3.61 120.51 119.67 2wxn n ALA 768 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2wxn n ALA 768 Cb 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2wxn n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxn n GLY 769 N 1.36 0.64 0.00 0.00 0.00 -0.94 -3.19 105.19 103.07 2wxn n GLY 769 Ca 0.01 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.53 2wxn n GLY 769 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wxn n SER 770 N 6.67 0.00 0.06 1.61 2.88 -1.26 -3.38 113.62 120.19 2wxn n SER 770 Ca 0.00 -0.16 0.02 0.00 -1.33 0.00 0.00 58.87 57.40 2wxn n SER 770 Cb 0.00 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.13 2wxn n SER 770 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxn h ALA 771 N 3.37 0.64 -0.05 -1.46 0.00 -1.90 -3.19 119.26 116.66 2wxn h ALA 771 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2wxn h ALA 771 Cb 0.26 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wxn h ALA 771 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2wxn n GLY 772 N 1.34 -0.59 3.31 0.00 0.00 -1.22 -4.60 105.19 103.43 2wxn n GLY 772 Ca -0.07 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 2wxn n GLY 772 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxn n ASN 773 N -0.44 5.47 -4.61 1.61 3.02 -1.21 -3.40 115.26 115.70 2wxn n ASN 773 Ca 0.15 -3.06 -0.28 0.00 -0.03 0.00 0.00 54.58 51.36 2wxn n ASN 773 Cb 0.15 -1.45 -0.11 0.00 -0.61 0.00 0.00 39.78 37.76 2wxn n ASN 773 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2wxn s VAL 774 N -0.22 1.90 0.06 2.41 -7.23 -1.19 -4.95 120.40 111.19 2wxn s VAL 774 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2wxn s VAL 774 Cb -0.04 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.96 2wxn s VAL 774 CO -0.02 0.00 0.24 -0.83 -0.31 0.00 0.00 175.10 174.18 2wxn s GLY 775 N -3.70 -0.01 0.10 2.32 0.00 -1.26 -1.15 107.32 103.62 2wxn s GLY 775 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2wxn s GLY 775 CO 0.17 -0.48 -0.02 -0.26 0.00 0.00 0.00 173.10 172.51 2wxn s ILE 776 N -3.02 0.46 -0.06 0.90 -4.36 -0.11 -1.99 121.20 113.01 2wxn s ILE 776 Ca -0.02 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 2wxn s ILE 776 Cb 0.01 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.97 2wxn s ILE 776 CO -0.06 -0.78 -0.11 -0.63 0.24 0.00 0.00 174.94 173.60 2wxn s ILE 777 N -3.79 1.03 -0.18 8.37 1.01 -0.47 -0.90 121.20 126.28 2wxn s ILE 777 Ca 0.14 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 2wxn s ILE 777 Cb 0.07 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2wxn s ILE 777 CO -0.04 0.33 0.08 0.12 0.00 0.00 0.00 174.94 175.43 2wxn s PHE 778 N 0.71 3.30 -0.03 3.97 5.36 -0.45 -1.13 117.98 129.71 2wxn s PHE 778 Ca -0.14 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 2wxn s PHE 778 Cb -0.16 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2wxn s PHE 778 CO 0.03 0.22 -0.06 0.21 -1.46 0.00 0.00 175.22 174.16 2wxn s LYS 779 N 0.29 0.77 -0.05 10.12 2.20 -1.03 0.31 119.74 132.35 2wxn s LYS 779 Ca 0.05 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 2wxn s LYS 779 Cb -0.12 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.47 2wxn s LYS 779 CO -0.00 -0.00 0.02 1.21 -0.36 0.00 0.00 175.35 176.22 2wxn s ASN 780 N 0.56 1.04 0.00 1.43 2.47 -1.26 -2.38 114.94 116.79 2wxn s ASN 780 Ca -0.07 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.20 2wxn s ASN 780 Cb -0.11 -0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.43 2wxn s ASN 780 CO 0.00 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 2wxn n GLY 781 N 4.86 1.49 3.25 1.21 0.00 -0.07 -4.86 105.19 111.07 2wxn n GLY 781 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2wxn n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxn s ASP 782 N -1.32 2.04 -0.06 1.61 1.01 -1.15 -5.03 116.67 113.76 2wxn s ASP 782 Ca 0.00 -0.82 -0.30 0.00 0.71 0.00 0.00 52.55 52.14 2wxn s ASP 782 Cb 0.00 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.83 2wxn s ASP 782 CO 0.00 -0.15 1.19 -0.62 0.21 0.00 0.00 175.17 175.80 2wxn s ASP 783 N -2.50 7.06 -0.00 0.27 2.15 -1.26 -3.92 116.67 118.47 2wxn s ASP 783 Ca 0.10 1.79 0.19 0.00 0.43 0.00 0.00 52.55 55.06 2wxn s ASP 783 Cb -0.05 -2.56 -0.21 0.00 -0.30 0.00 0.00 42.92 39.81 2wxn s ASP 783 CO 0.03 -0.57 0.78 0.18 -0.17 0.00 0.00 175.17 175.41 2wxn n LEU 784 N 5.19 0.84 -0.19 -1.34 4.77 -1.26 -4.69 117.00 120.32 2wxn n LEU 784 Ca 0.11 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 2wxn n LEU 784 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2wxn n LEU 784 CO 0.55 0.21 0.58 0.03 -1.33 0.00 0.00 177.39 177.43 2wxn h ARG 785 N 0.00 -0.23 -0.26 3.23 3.08 -1.97 0.15 114.38 118.37 2wxn h ARG 785 Ca 0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2wxn h ARG 785 Cb 0.46 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 2wxn h ARG 785 CO 0.00 -0.15 -0.10 0.37 -1.07 0.00 0.00 179.97 179.01 2wxn h GLN 786 N -0.24 -0.06 -0.90 0.04 4.15 -1.91 -0.79 115.11 115.41 2wxn h GLN 786 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.65 2wxn h GLN 786 Cb 0.57 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.21 2wxn h GLN 786 CO -0.67 -0.04 0.58 -0.44 -1.93 0.00 0.00 178.83 176.33 2wxn h ASP 787 N -0.06 0.94 -0.57 -0.69 5.19 -1.57 -0.71 116.42 118.96 2wxn h ASP 787 Ca 0.14 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2wxn h ASP 787 Cb 0.26 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2wxn h ASP 787 CO -0.30 0.62 0.35 -0.03 -3.12 0.00 0.00 179.24 176.76 2wxn h MET 788 N 1.09 0.77 0.35 3.56 4.05 0.09 0.23 114.93 125.06 2wxn h MET 788 Ca 0.38 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.72 2wxn h MET 788 Cb 0.09 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2wxn h MET 788 CO -0.15 0.54 -0.17 1.25 0.23 0.00 0.00 176.91 178.62 2wxn h LEU 789 N 0.77 -0.39 -0.52 3.39 5.85 -0.64 -0.26 115.31 123.50 2wxn h LEU 789 Ca 0.21 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2wxn h LEU 789 Cb -0.04 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2wxn h LEU 789 CO -0.04 -0.01 -0.31 0.41 -0.34 0.00 0.00 178.44 178.15 2wxn n THR 790 N -5.15 -0.35 -0.26 1.05 -1.04 -0.32 -0.35 114.28 107.86 2wxn n THR 790 Ca -0.10 1.96 0.26 0.00 -2.04 0.00 0.00 64.05 64.14 2wxn n THR 790 Cb 0.27 -2.50 0.62 0.00 -1.82 0.00 0.00 70.33 66.91 2wxn n THR 790 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2wxn h LEU 791 N 0.00 0.21 -0.54 -4.42 3.38 -0.72 -1.49 115.31 111.74 2wxn h LEU 791 Ca 0.08 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2wxn h LEU 791 Cb 0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wxn h LEU 791 CO -0.49 0.06 -0.46 1.56 0.09 0.00 0.00 178.44 179.20 2wxn h GLN 792 N 0.20 0.66 -0.18 1.13 4.20 0.12 -2.23 115.11 119.00 2wxn h GLN 792 Ca 0.51 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2wxn h GLN 792 Cb 1.64 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 2wxn h GLN 792 CO -0.12 0.98 -0.20 0.52 -0.67 0.00 0.00 178.83 179.34 2wxn h MET 793 N 0.53 0.31 -0.07 1.46 2.86 -0.27 -1.44 114.93 118.31 2wxn h MET 793 Ca 0.03 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2wxn h MET 793 Cb 1.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2wxn h MET 793 CO 0.09 0.51 -0.30 0.82 1.06 0.00 0.00 176.91 179.09 2wxn h ILE 794 N 0.29 1.42 -0.83 -1.22 2.04 -1.31 -2.20 117.51 115.70 2wxn h ILE 794 Ca 0.05 -1.69 0.12 0.00 1.00 0.00 0.00 64.86 64.34 2wxn h ILE 794 Cb 0.52 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 2wxn h ILE 794 CO 0.03 0.49 0.54 -0.61 0.00 0.00 0.00 178.15 178.60 2wxn h GLN 795 N -0.15 0.67 -0.21 2.37 5.75 -1.02 -0.45 115.11 122.06 2wxn h GLN 795 Ca -0.02 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 2wxn h GLN 795 Cb 0.94 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2wxn h GLN 795 CO 0.06 0.44 -0.43 1.25 -2.65 0.00 0.00 178.83 177.50 2wxn h LEU 796 N 0.69 0.75 -0.61 -2.39 5.85 -1.15 -1.08 115.31 117.37 2wxn h LEU 796 Ca 0.40 -0.55 0.11 0.00 0.84 0.00 0.00 57.88 58.69 2wxn h LEU 796 Cb 0.59 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2wxn h LEU 796 CO -0.16 1.16 0.14 0.24 -0.34 0.00 0.00 178.44 179.47 2wxn h MET 797 N 0.37 0.26 -0.48 1.25 2.86 -0.51 0.47 114.93 119.15 2wxn h MET 797 Ca 0.01 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2wxn h MET 797 Cb 1.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2wxn h MET 797 CO 0.10 0.17 0.07 0.22 1.06 0.00 0.00 176.91 178.53 2wxn h ASP 798 N 0.27 0.76 -0.67 1.22 3.58 -0.76 0.78 116.42 121.60 2wxn h ASP 798 Ca 0.32 -0.26 0.06 0.00 0.42 0.00 0.00 57.03 57.57 2wxn h ASP 798 Cb 0.48 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 2wxn h ASP 798 CO -0.40 0.84 0.37 0.58 -2.88 0.00 0.00 179.24 177.74 2wxn h VAL 799 N 0.66 0.96 -0.14 2.25 2.07 -0.39 0.40 116.25 122.06 2wxn h VAL 799 Ca 0.14 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 2wxn h VAL 799 Cb 0.40 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2wxn h VAL 799 CO 0.01 0.12 -0.48 -0.07 0.02 0.00 0.00 177.57 177.17 2wxn h LEU 800 N 0.68 0.67 0.32 2.57 3.38 -0.29 -0.31 115.31 122.34 2wxn h LEU 800 Ca 0.30 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2wxn h LEU 800 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2wxn h LEU 800 CO -0.19 1.16 -0.33 -0.50 0.09 0.00 0.00 178.44 178.68 2wxn h TRP 801 N 0.22 -0.88 -0.86 1.13 6.55 0.75 -2.91 115.95 119.95 2wxn h TRP 801 Ca -0.02 0.01 0.12 0.00 0.95 0.00 0.00 58.89 59.94 2wxn h TRP 801 Cb 1.11 0.34 -0.08 0.00 -0.86 0.00 0.00 29.16 29.67 2wxn h TRP 801 CO 0.10 -0.46 0.49 0.87 -1.05 0.00 0.00 178.44 178.39 2wxn h LYS 802 N -0.68 0.74 0.00 0.49 1.57 0.26 0.29 116.57 119.24 2wxn h LYS 802 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wxn h LYS 802 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wxn h LYS 802 CO -0.06 0.49 0.03 1.96 -0.57 0.00 0.00 179.45 181.29 2wxn h GLN 803 N 0.76 0.00 -0.58 3.15 4.20 -0.88 -1.71 115.11 120.06 2wxn h GLN 803 Ca 0.44 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.91 2wxn h GLN 803 Cb 0.49 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.13 2wxn h GLN 803 CO -0.29 0.00 0.19 0.39 -0.67 0.00 0.00 178.83 178.45 2wxn n GLU 804 N -2.62 2.59 -3.76 1.46 -0.58 0.98 -4.94 120.64 113.77 2wxn n GLU 804 Ca -0.02 -3.07 -0.27 0.00 -0.42 0.00 0.00 57.16 53.38 2wxn n GLU 804 Cb 0.07 -2.01 0.05 0.00 -0.57 0.00 0.00 31.44 28.99 2wxn n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxn n GLY 805 N -0.78 -0.52 2.86 0.62 0.00 -0.64 -5.03 105.19 101.70 2wxn n GLY 805 Ca 0.39 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 2wxn n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxn s LEU 806 N -7.28 1.68 -0.39 0.99 2.96 -0.91 -5.01 118.68 110.72 2wxn s LEU 806 Ca 0.61 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2wxn s LEU 806 Cb -0.29 -0.87 0.06 0.00 0.50 0.00 0.00 46.19 45.58 2wxn s LEU 806 CO 0.78 -0.23 0.22 -0.62 -1.32 0.00 0.00 176.35 175.19 2wxn s ASP 807 N 1.65 5.64 -0.16 3.68 -1.08 -1.26 -2.24 116.67 122.89 2wxn s ASP 807 Ca -0.01 -1.27 0.15 0.00 -0.52 0.00 0.00 52.55 50.90 2wxn s ASP 807 Cb -0.16 -1.99 0.72 0.00 -1.46 0.00 0.00 42.92 40.03 2wxn s ASP 807 CO -0.07 -0.46 1.62 0.18 0.52 0.00 0.00 175.17 176.96 2wxn n LEU 808 N 4.94 4.94 -3.51 -1.34 4.77 -1.26 -4.92 117.00 120.62 2wxn n LEU 808 Ca -0.11 -2.50 -0.25 0.00 -0.03 0.00 0.00 56.01 53.12 2wxn n LEU 808 Cb 0.44 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2wxn n LEU 808 CO 0.37 0.69 0.11 0.54 -1.33 0.00 0.00 177.39 177.77 2wxn n ARG 809 N 0.85 -5.93 -1.04 3.23 5.12 -1.26 -2.07 116.66 115.56 2wxn n ARG 809 Ca 0.25 0.74 -0.34 0.00 -1.93 0.00 0.00 57.85 56.58 2wxn n ARG 809 Cb 0.98 -5.66 0.12 0.00 -1.16 0.00 0.00 32.46 26.74 2wxn n ARG 809 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wxn n MET 810 N -4.51 0.07 -3.47 5.56 2.81 -1.26 -4.65 117.12 111.66 2wxn n MET 810 Ca -0.02 0.09 -0.27 0.00 -1.81 0.00 0.00 57.70 55.70 2wxn n MET 810 Cb 0.56 -2.26 -0.09 0.00 -0.71 0.00 0.00 33.22 30.72 2wxn n MET 810 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2wxn n THR 811 N -3.30 1.20 -1.44 2.03 -1.04 -1.26 -5.03 114.28 105.43 2wxn n THR 811 Ca 0.12 -4.71 -0.42 0.00 -2.04 0.00 0.00 64.05 57.00 2wxn n THR 811 Cb 0.51 -2.04 -0.04 0.00 -1.82 0.00 0.00 70.33 66.93 2wxn n THR 811 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wxn n PRO 812 N 1.40 1.93 -2.33 -2.82 -0.04 -1.26 -4.96 135.00 126.92 2wxn n PRO 812 Ca 0.26 -2.16 -0.36 0.00 -0.04 0.00 0.00 63.50 61.20 2wxn n PRO 812 Cb 0.43 -3.11 -0.01 0.00 -0.04 0.00 0.00 33.50 30.77 2wxn n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxn s TYR 813 N 5.05 2.89 0.34 0.54 -0.85 -1.26 -4.99 117.35 119.07 2wxn s TYR 813 Ca 0.56 1.56 -0.29 0.00 -0.52 0.00 0.00 57.07 58.38 2wxn s TYR 813 Cb 0.13 -3.29 -0.12 0.00 0.38 0.00 0.00 41.96 39.06 2wxn s TYR 813 CO 0.07 -1.33 1.44 0.41 -1.52 0.00 0.00 175.55 174.61 2wxn n GLY 814 N 0.28 0.99 3.26 5.49 0.00 -1.26 -4.84 105.19 109.11 2wxn n GLY 814 Ca 0.08 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 2wxn n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wxn s LEU 816 N 2.61 0.09 0.41 0.00 2.96 0.75 -4.76 118.68 120.74 2wxn s LEU 816 Ca -0.01 -0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 53.25 2wxn s LEU 816 Cb -0.12 0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.60 2wxn s LEU 816 CO -0.13 -0.34 1.08 -2.84 -1.32 0.00 0.00 176.35 172.81 2wxn s PRO 817 N 2.25 4.09 0.00 0.98 0.02 -1.26 -0.07 135.00 141.00 2wxn s PRO 817 Ca 0.05 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.67 2wxn s PRO 817 Cb -0.16 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.82 2wxn s PRO 817 CO -0.11 -0.22 0.00 0.25 -0.33 0.00 0.00 177.00 176.58 2wxn n THR 818 N -0.10 0.00 -2.51 0.99 -2.24 0.95 -4.72 114.28 106.65 2wxn n THR 818 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2wxn n THR 818 Cb 0.49 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2wxn n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxn n GLY 819 N 1.45 2.17 3.55 3.38 0.00 -0.78 -3.74 105.19 111.22 2wxn n GLY 819 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 2wxn n GLY 819 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxn n ASP 820 N -0.16 2.45 -3.09 1.61 -0.08 -1.26 -2.74 116.55 113.28 2wxn n ASP 820 Ca 0.00 -0.13 -0.21 0.00 -1.51 0.00 0.00 54.79 52.94 2wxn n ASP 820 Cb 0.00 -1.49 0.01 0.00 2.34 0.00 0.00 41.12 41.98 2wxn n ASP 820 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2wxn n ARG 821 N 8.80 -3.62 -4.19 -0.67 1.74 -1.26 -4.72 116.66 112.74 2wxn n ARG 821 Ca 0.37 0.64 -0.16 0.00 -0.77 0.00 0.00 57.85 57.93 2wxn n ARG 821 Cb 0.44 -5.37 -0.15 0.00 -1.02 0.00 0.00 32.46 26.36 2wxn n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxn s THR 822 N -2.96 0.46 0.00 0.55 2.01 -1.11 -0.89 115.64 113.70 2wxn s THR 822 Ca 0.30 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2wxn s THR 822 Cb -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2wxn s THR 822 CO 0.37 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2wxn n GLY 823 N 2.97 1.45 3.07 4.40 0.00 -1.00 -0.03 105.19 116.04 2wxn n GLY 823 Ca -0.13 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 2wxn n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxn s LEU 824 N 0.00 2.10 0.03 0.99 1.43 0.89 -2.47 118.68 121.66 2wxn s LEU 824 Ca 0.00 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2wxn s LEU 824 Cb 0.00 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2wxn s LEU 824 CO 0.00 0.04 -0.24 -0.63 0.23 0.00 0.00 176.35 175.75 2wxn s ILE 825 N -0.58 1.95 0.13 -0.59 1.01 -0.28 -0.18 121.20 122.65 2wxn s ILE 825 Ca 0.01 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 2wxn s ILE 825 Cb -0.06 -1.66 -0.07 0.00 0.01 0.00 0.00 42.46 40.68 2wxn s ILE 825 CO 0.00 0.36 0.80 -0.70 0.00 0.00 0.00 174.94 175.40 2wxn s GLU 826 N -1.08 4.58 -0.15 2.79 2.12 0.32 -1.37 118.70 125.91 2wxn s GLU 826 Ca 0.10 1.18 -0.28 0.00 0.36 0.00 0.00 54.97 56.33 2wxn s GLU 826 Cb -0.09 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2wxn s GLU 826 CO 0.01 0.44 0.95 0.08 -0.54 0.00 0.00 175.26 176.21 2wxn s VAL 827 N -0.70 4.80 -0.32 3.70 1.01 -0.84 -4.84 120.40 123.20 2wxn s VAL 827 Ca 0.38 1.90 -0.14 0.00 0.00 0.00 0.00 61.98 64.12 2wxn s VAL 827 Cb -0.23 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2wxn s VAL 827 CO 0.26 -0.02 0.32 -0.69 0.00 0.00 0.00 175.10 174.97 2wxn s VAL 828 N 2.27 5.21 0.43 2.92 1.01 -1.26 -4.65 120.40 126.32 2wxn s VAL 828 Ca 0.44 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2wxn s VAL 828 Cb -0.17 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2wxn s VAL 828 CO 0.14 0.00 0.79 -0.76 0.00 0.00 0.00 175.10 175.27 2wxn s LEU 829 N 1.95 3.76 -0.76 3.92 1.43 -1.26 -4.22 118.68 123.49 2wxn s LEU 829 Ca 0.11 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2wxn s LEU 829 Cb -0.16 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 42.02 2wxn s LEU 829 CO 0.11 -0.46 0.65 1.41 0.23 0.00 0.00 176.35 178.29 2wxn n HIS 830 N -1.52 -1.59 -4.16 0.29 8.25 -1.26 -4.82 115.22 110.40 2wxn n HIS 830 Ca 0.02 0.55 -0.10 0.00 -0.26 0.00 0.00 57.72 57.94 2wxn n HIS 830 Cb 0.54 -3.24 -0.10 0.00 1.12 0.00 0.00 29.99 28.31 2wxn n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxn s SER 831 N -3.16 0.59 -0.02 0.41 1.04 -1.26 -1.37 113.70 109.93 2wxn s SER 831 Ca 0.32 -1.16 -0.25 0.00 0.48 0.00 0.00 55.95 55.34 2wxn s SER 831 Cb -0.14 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.26 2wxn s SER 831 CO 0.40 -0.66 0.54 -0.62 0.98 0.00 0.00 173.24 173.88 2wxn s ASP 832 N -3.06 -0.48 0.37 7.02 -1.08 -0.29 -4.97 116.67 114.18 2wxn s ASP 832 Ca 0.21 0.44 -0.26 0.00 -0.52 0.00 0.00 52.55 52.42 2wxn s ASP 832 Cb 0.07 0.46 -0.09 0.00 -1.46 0.00 0.00 42.92 41.91 2wxn s ASP 832 CO 0.00 -0.58 1.15 0.42 0.52 0.00 0.00 175.17 176.69 2wxn s THR 833 N -1.44 3.25 0.28 1.71 -4.23 -1.26 -1.37 115.64 112.58 2wxn s THR 833 Ca -0.11 1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.43 2wxn s THR 833 Cb -0.02 -3.63 0.45 0.00 1.34 0.00 0.00 72.50 70.64 2wxn s THR 833 CO 0.06 0.14 1.54 -0.38 -0.54 0.00 0.00 174.62 175.45 2wxn n ILE 834 N 0.34 -0.42 -0.28 2.99 2.08 -0.74 -1.17 119.36 122.16 2wxn n ILE 834 Ca 0.03 2.25 0.10 0.00 0.56 0.00 0.00 62.75 65.69 2wxn n ILE 834 Cb 0.46 -3.14 0.25 0.00 -0.75 0.00 0.00 39.64 36.46 2wxn n ILE 834 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wxn h ALA 835 N 1.98 1.24 -0.16 -1.39 0.00 -0.35 -0.10 119.26 120.49 2wxn h ALA 835 Ca 0.49 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.45 2wxn h ALA 835 Cb 0.80 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2wxn h ALA 835 CO -1.00 -0.29 -0.33 -0.91 0.00 0.00 0.00 179.25 176.71 2wxn h ASN 836 N 0.40 0.57 -0.72 0.00 2.35 -1.42 -2.23 115.58 114.53 2wxn h ASN 836 Ca 0.49 -0.55 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2wxn h ASN 836 Cb 0.87 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 2wxn h ASN 836 CO -0.49 1.02 0.45 0.40 -1.65 0.00 0.00 177.43 177.15 2wxn h ILE 837 N 0.14 1.10 0.00 2.81 2.04 -0.96 -2.38 117.51 120.27 2wxn h ILE 837 Ca 0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2wxn h ILE 837 Cb 0.92 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2wxn h ILE 837 CO 0.07 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2wxn n GLN 838 N -4.65 0.73 0.27 2.37 6.02 -0.08 -3.20 117.38 118.85 2wxn n GLN 838 Ca 0.08 0.01 0.19 0.00 -0.01 0.00 0.00 57.00 57.26 2wxn n GLN 838 Cb 0.08 -1.50 0.98 0.00 1.02 0.00 0.00 30.24 30.82 2wxn n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxn h LEU 839 N 0.00 0.00 -3.35 1.08 3.38 -0.84 -3.47 115.31 112.10 2wxn h LEU 839 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2wxn h LEU 839 Cb 0.04 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.85 2wxn h LEU 839 CO 0.00 0.00 -0.96 -3.20 0.09 0.00 0.00 178.44 174.37 2wxn n ASN 840 N -2.79 -5.03 -4.28 -0.43 5.15 -1.19 -4.96 115.26 101.74 2wxn n ASN 840 Ca -0.02 -1.08 -0.30 0.00 -0.60 0.00 0.00 54.58 52.58 2wxn n ASN 840 Cb 0.07 -3.02 0.18 0.00 -0.53 0.00 0.00 39.78 36.48 2wxn n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wxn s LYS 841 N -6.30 0.54 0.45 1.20 1.02 -1.26 -4.98 119.74 110.42 2wxn s LYS 841 Ca 0.48 -0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 2wxn s LYS 841 Cb -0.19 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2wxn s LYS 841 CO 0.89 -2.52 0.71 -1.54 -0.92 0.00 0.00 175.35 171.97 2wxn s SER 842 N -4.53 6.15 -1.35 2.83 1.04 -1.26 -4.52 113.70 112.07 2wxn s SER 842 Ca 0.70 0.68 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 2wxn s SER 842 Cb -0.08 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 64.02 2wxn s SER 842 CO 0.53 -0.55 1.14 -3.20 0.98 0.00 0.00 173.24 172.14 2wxn n ASN 843 N -2.13 -5.59 -4.06 7.02 5.15 -1.26 -4.97 115.26 109.43 2wxn n ASN 843 Ca -0.01 -0.57 -0.18 0.00 -0.60 0.00 0.00 54.58 53.22 2wxn n ASN 843 Cb 0.56 -4.94 -0.14 0.00 -0.53 0.00 0.00 39.78 34.73 2wxn n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wxn s MET 844 N -6.21 0.71 0.16 1.20 -1.94 -1.26 -5.02 119.30 106.95 2wxn s MET 844 Ca 0.51 -0.52 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 2wxn s MET 844 Cb -0.23 -0.66 0.49 0.00 2.01 0.00 0.00 34.83 36.45 2wxn s MET 844 CO 0.74 0.17 0.77 0.00 -0.01 0.00 0.00 175.02 176.69 2wxn n ALA 845 N 2.33 0.36 -0.41 3.03 0.00 -1.26 -3.52 120.51 121.03 2wxn n ALA 845 Ca -0.16 0.52 0.10 0.00 0.00 0.00 0.00 53.44 53.90 2wxn n ALA 845 Cb 0.56 -0.43 0.31 0.00 0.00 0.00 0.00 19.45 19.88 2wxn n ALA 845 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxn n ALA 846 N -3.09 2.51 -2.46 0.00 0.00 -1.26 -4.96 120.51 111.24 2wxn n ALA 846 Ca 0.14 -1.36 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 2wxn n ALA 846 Cb 0.48 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 2wxn n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wxn s THR 847 N -1.21 3.81 0.00 0.00 2.01 -1.23 -4.69 115.64 114.33 2wxn s THR 847 Ca 0.46 0.65 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2wxn s THR 847 Cb 0.25 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2wxn s THR 847 CO 0.29 -1.36 0.00 0.00 -0.69 0.00 0.00 174.62 172.86 2wxn n ALA 848 N 9.38 0.00 0.11 7.40 0.00 -1.26 -5.02 120.51 131.12 2wxn n ALA 848 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 2wxn n ALA 848 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wxn n ALA 848 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxn h ALA 849 N 0.26 0.67 -3.48 0.00 0.00 -1.99 -3.45 119.26 111.27 2wxn h ALA 849 Ca 0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 2wxn h ALA 849 Cb 0.00 0.05 -0.35 0.00 0.00 0.00 0.00 17.79 17.49 2wxn h ALA 849 CO 0.00 0.61 -0.73 -0.06 0.00 0.00 0.00 179.25 179.07 2wxn s PHE 850 N -3.01 0.09 0.48 0.00 0.08 -1.26 -5.04 117.98 109.32 2wxn s PHE 850 Ca 0.02 0.12 0.25 0.00 0.12 0.00 0.00 56.93 57.44 2wxn s PHE 850 Cb 0.08 -0.31 1.30 0.00 -0.57 0.00 0.00 43.02 43.51 2wxn s PHE 850 CO 0.77 -0.12 1.87 -0.97 -0.10 0.00 0.00 175.22 176.67 2wxn h ASN 851 N 7.49 0.20 0.34 1.36 -1.24 -2.00 0.22 115.58 121.95 2wxn h ASN 851 Ca -0.40 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2wxn h ASN 851 Cb 1.12 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.16 2wxn h ASN 851 CO 0.42 0.07 0.00 0.07 -1.29 0.00 0.00 177.43 176.70 2wxn h LYS 852 N 0.19 0.00 0.00 6.67 2.10 -1.99 -2.73 116.57 120.81 2wxn h LYS 852 Ca 0.46 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.05 2wxn h LYS 852 Cb 1.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.80 2wxn h LYS 852 CO -0.10 0.00 -0.54 -0.44 -2.00 0.00 0.00 179.45 176.37 2wxn h ASP 853 N 0.00 0.00 -0.91 7.07 3.32 -0.97 -3.40 116.42 121.53 2wxn h ASP 853 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2wxn h ASP 853 Cb 0.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2wxn h ASP 853 CO 0.00 0.23 0.50 0.00 -1.72 0.00 0.00 179.24 178.25 2wxn h ALA 854 N 1.77 1.16 -0.10 3.45 0.00 -1.59 -0.12 119.26 123.83 2wxn h ALA 854 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2wxn h ALA 854 Cb 1.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wxn h ALA 854 CO 0.03 0.66 -0.48 1.25 0.00 0.00 0.00 179.25 180.71 2wxn h LEU 855 N 1.27 0.27 0.12 0.00 6.46 -1.80 0.23 115.31 121.86 2wxn h LEU 855 Ca 0.32 -0.13 -0.25 0.00 -0.12 0.00 0.00 57.88 57.70 2wxn h LEU 855 Cb 0.02 -0.08 0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2wxn h LEU 855 CO -0.05 0.71 -1.06 0.25 -0.62 0.00 0.00 178.44 177.67 2wxn h LEU 856 N 0.20 0.73 -1.52 2.25 5.85 -1.42 -2.36 115.31 119.04 2wxn h LEU 856 Ca 0.01 -0.85 0.21 0.00 0.84 0.00 0.00 57.88 58.09 2wxn h LEU 856 Cb 0.92 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 2wxn h LEU 856 CO 0.07 1.51 0.60 0.78 -0.34 0.00 0.00 178.44 181.06 2wxn h ASN 857 N 0.06 0.40 -0.33 1.25 4.21 -0.87 0.24 115.58 120.55 2wxn h ASN 857 Ca -0.17 0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.23 2wxn h ASN 857 Cb 1.78 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 38.94 2wxn h ASN 857 CO 0.20 0.16 -0.41 -0.25 -1.29 0.00 0.00 177.43 175.84 2wxn h TRP 858 N 0.40 1.04 -0.61 1.19 7.01 -0.76 -1.07 115.95 123.14 2wxn h TRP 858 Ca 0.47 -0.33 -0.06 0.00 2.11 0.00 0.00 58.89 61.08 2wxn h TRP 858 Cb 1.19 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 2wxn h TRP 858 CO -0.00 1.14 0.13 -0.07 -2.79 0.00 0.00 178.44 176.85 2wxn h LEU 859 N 0.64 0.92 -0.22 0.65 3.38 -0.49 -2.85 115.31 117.33 2wxn h LEU 859 Ca 0.04 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wxn h LEU 859 Cb 1.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2wxn h LEU 859 CO 0.10 0.90 0.06 0.11 0.09 0.00 0.00 178.44 179.70 2wxn h LYS 860 N 0.92 0.15 0.00 1.13 1.57 -0.43 -2.33 116.57 117.59 2wxn h LYS 860 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wxn h LYS 860 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2wxn h LYS 860 CO 0.00 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.65 2wxn h SER 861 N 0.16 0.00 0.68 0.86 4.64 -1.11 -2.21 113.55 116.57 2wxn h SER 861 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2wxn h SER 861 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wxn h SER 861 CO -0.11 0.00 -0.79 0.29 -0.87 0.00 0.00 176.83 175.35 2wxn n LYS 862 N -2.90 0.29 -3.38 4.77 4.76 -1.08 -4.75 118.16 115.88 2wxn n LYS 862 Ca 0.01 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.23 2wxn n LYS 862 Cb 0.26 -1.65 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 2wxn n LYS 862 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wxn n ASN 863 N -2.05 -0.32 -4.77 4.39 3.02 -0.83 -4.99 115.26 109.71 2wxn n ASN 863 Ca 0.03 -2.43 -0.30 0.00 -0.03 0.00 0.00 54.58 51.84 2wxn n ASN 863 Cb 0.44 -0.57 0.10 0.00 -0.61 0.00 0.00 39.78 39.14 2wxn n ASN 863 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2wxn s PRO 864 N -0.14 2.07 1.31 3.52 0.02 -1.24 -3.60 135.00 136.94 2wxn s PRO 864 Ca 0.33 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.28 2wxn s PRO 864 Cb 0.05 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.68 2wxn s PRO 864 CO -0.19 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.19 2wxn n GLY 865 N -1.50 0.74 0.16 0.52 0.00 -1.26 -2.76 105.19 101.09 2wxn n GLY 865 Ca 0.08 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.45 2wxn n GLY 865 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wxn n GLU 866 N 0.00 -0.02 0.00 1.61 1.02 -1.26 -2.11 120.64 119.88 2wxn n GLU 866 Ca 0.00 0.57 0.01 0.00 -0.02 0.00 0.00 57.16 57.72 2wxn n GLU 866 Cb 0.00 -1.05 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2wxn n GLU 866 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxn n ALA 867 N -2.64 1.24 -0.24 0.62 0.00 -1.11 -3.06 120.51 115.31 2wxn n ALA 867 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 2wxn n ALA 867 Cb 0.59 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 19.04 2wxn n ALA 867 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxn h LEU 868 N 0.00 1.06 -1.14 0.00 5.85 -1.48 -3.00 115.31 116.60 2wxn h LEU 868 Ca 0.00 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2wxn h LEU 868 Cb 0.03 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 2wxn h LEU 868 CO 0.00 1.05 0.59 0.44 -0.34 0.00 0.00 178.44 180.18 2wxn h ASP 869 N 1.03 0.89 -0.55 1.25 3.32 -1.83 -2.03 116.42 118.49 2wxn h ASP 869 Ca 0.20 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2wxn h ASP 869 Cb 0.43 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2wxn h ASP 869 CO 0.01 0.56 0.24 -0.09 -1.72 0.00 0.00 179.24 178.24 2wxn h ARG 870 N 1.01 0.82 -0.50 3.56 9.65 -1.76 -0.67 114.38 126.49 2wxn h ARG 870 Ca 0.40 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 59.06 2wxn h ARG 870 Cb 0.25 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2wxn h ARG 870 CO -0.16 0.70 -0.04 0.00 2.80 0.00 0.00 179.97 183.27 2wxn h ALA 871 N 1.08 0.99 -0.21 2.80 0.00 -1.37 0.13 119.26 122.69 2wxn h ALA 871 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2wxn h ALA 871 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wxn h ALA 871 CO -0.02 0.61 -0.14 0.82 0.00 0.00 0.00 179.25 180.53 2wxn h ILE 872 N 0.79 1.21 -0.18 0.00 2.04 -1.10 0.39 117.51 120.65 2wxn h ILE 872 Ca 0.14 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 2wxn h ILE 872 Cb 0.53 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2wxn h ILE 872 CO 0.03 0.29 -0.32 -0.08 0.00 0.00 0.00 178.15 178.07 2wxn h GLU 873 N 0.32 0.54 -0.60 2.37 4.57 0.06 -1.04 114.58 120.80 2wxn h GLU 873 Ca 0.06 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 57.83 2wxn h GLU 873 Cb 0.44 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2wxn h GLU 873 CO 0.03 0.94 0.08 0.93 -1.18 0.00 0.00 179.01 179.81 2wxn h GLU 874 N 0.20 0.98 -0.27 1.92 4.39 -0.16 -1.02 114.58 120.62 2wxn h GLU 874 Ca 0.01 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.47 2wxn h GLU 874 Cb 0.91 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2wxn h GLU 874 CO 0.07 0.92 0.15 0.35 -1.16 0.00 0.00 179.01 179.34 2wxn h PHE 875 N 0.92 0.27 0.15 4.33 3.57 -0.16 -1.95 116.94 124.08 2wxn h PHE 875 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2wxn h PHE 875 Cb 0.43 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2wxn h PHE 875 CO 0.03 0.16 -0.07 1.15 -2.23 0.00 0.00 178.31 177.34 2wxn h THR 876 N 0.30 0.91 0.10 4.41 2.02 -0.74 0.27 112.91 120.19 2wxn h THR 876 Ca 0.11 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wxn h THR 876 Cb 0.02 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2wxn h THR 876 CO -0.06 0.05 -0.09 -0.07 0.37 0.00 0.00 175.52 175.72 2wxn h LEU 877 N -0.31 -0.23 -0.71 2.58 3.38 -1.19 -2.23 115.31 116.60 2wxn h LEU 877 Ca -0.02 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wxn h LEU 877 Cb 0.24 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2wxn h LEU 877 CO 0.03 -0.14 -0.16 0.77 0.09 0.00 0.00 178.44 179.03 2wxn h SER 878 N -0.20 0.82 -0.85 -0.43 4.64 -0.76 -2.13 113.55 114.63 2wxn h SER 878 Ca 0.00 -0.27 0.09 0.00 -0.47 0.00 0.00 61.79 61.14 2wxn h SER 878 Cb 0.19 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 61.98 2wxn h SER 878 CO -0.02 0.98 0.50 0.00 -0.87 0.00 0.00 176.83 177.43 2wxn h ALA 880 N 1.46 0.61 0.04 0.00 0.00 -0.78 -1.01 119.26 119.58 2wxn h ALA 880 Ca 0.41 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wxn h ALA 880 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wxn h ALA 880 CO -0.24 0.20 -0.03 0.78 0.00 0.00 0.00 179.25 179.96 2wxn h GLY 881 N 0.62 -0.07 2.00 0.00 0.00 -0.96 -2.19 103.07 102.47 2wxn h GLY 881 Ca 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 2wxn h GLY 881 CO -0.02 -0.03 -0.37 -0.97 0.00 0.00 0.00 176.54 175.15 2wxn h TYR 882 N -0.08 0.00 -0.29 5.60 0.05 -0.82 0.10 116.97 121.54 2wxn h TYR 882 Ca -0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 2wxn h TYR 882 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2wxn h TYR 882 CO -0.08 0.37 -0.42 0.00 -1.05 0.00 0.00 178.16 176.98 2wxn h VAL 884 N 0.57 0.70 -0.87 0.00 2.07 -1.02 -1.99 116.25 115.71 2wxn h VAL 884 Ca 0.04 -1.07 0.15 0.00 0.82 0.00 0.00 66.70 66.64 2wxn h VAL 884 Cb 0.96 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 2wxn h VAL 884 CO 0.09 0.18 0.46 0.00 0.02 0.00 0.00 177.57 178.32 2wxn h ALA 885 N -0.46 1.31 -0.21 1.67 0.00 -0.79 0.79 119.26 121.57 2wxn h ALA 885 Ca -0.03 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2wxn h ALA 885 Cb 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wxn h ALA 885 CO 0.04 -0.06 -0.60 1.79 0.00 0.00 0.00 179.25 180.42 2wxn h THR 886 N 0.66 1.30 0.04 0.00 1.35 -0.99 -1.16 112.91 114.10 2wxn h THR 886 Ca 0.47 -1.83 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2wxn h THR 886 Cb 0.65 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2wxn h THR 886 CO -0.35 0.58 -0.02 0.22 -0.25 0.00 0.00 175.52 175.70 2wxn h TYR 887 N 0.52 -0.04 -0.48 4.73 3.20 -0.40 0.43 116.97 124.91 2wxn h TYR 887 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wxn h TYR 887 Cb 1.18 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2wxn h TYR 887 CO 0.06 0.26 0.32 0.28 -1.64 0.00 0.00 178.16 177.44 2wxn h VAL 888 N -0.35 1.13 0.00 1.81 2.07 0.58 -2.78 116.25 118.70 2wxn h VAL 888 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2wxn h VAL 888 Cb 0.33 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2wxn h VAL 888 CO 0.01 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.90 2wxn n LEU 889 N -4.74 0.00 -1.00 2.57 4.77 -0.45 -4.78 117.00 113.37 2wxn n LEU 889 Ca 0.02 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2wxn n LEU 889 Cb 0.03 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2wxn n LEU 889 CO 0.35 -0.00 -0.12 0.61 -1.33 0.00 0.00 177.39 176.90 2wxn n GLY 890 N 1.23 0.40 3.73 -0.72 0.00 -0.01 -0.04 105.19 109.78 2wxn n GLY 890 Ca 0.14 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2wxn n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxn s ILE 891 N -2.45 4.13 0.28 -0.61 1.01 -0.35 -2.10 121.20 121.12 2wxn s ILE 891 Ca 0.00 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.43 2wxn s ILE 891 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2wxn s ILE 891 CO 0.00 0.25 0.19 -0.83 0.00 0.00 0.00 174.94 174.55 2wxn s GLY 892 N 0.19 1.98 -0.46 6.18 0.00 -1.25 -4.74 107.32 109.23 2wxn s GLY 892 Ca 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2wxn s GLY 892 CO 0.32 -1.50 0.00 1.34 0.00 0.00 0.00 173.10 173.26 2wxn n ASP 893 N -0.94 -2.58 -4.77 1.64 2.03 -1.26 -4.80 116.55 105.86 2wxn n ASP 893 Ca 0.03 0.03 -0.39 0.00 0.52 0.00 0.00 54.79 54.99 2wxn n ASP 893 Cb 0.64 -1.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2wxn n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxn s ARG 894 N -3.74 3.86 0.06 -0.67 1.81 -1.26 -4.96 118.95 114.06 2wxn s ARG 894 Ca 0.00 2.00 -0.28 0.00 -1.72 0.00 0.00 55.73 55.74 2wxn s ARG 894 Cb 0.00 -2.61 0.09 0.00 -0.45 0.00 0.00 34.95 31.98 2wxn s ARG 894 CO 0.00 -0.53 1.15 -3.38 -0.68 0.00 0.00 175.30 171.86 2wxn s HIS 895 N -1.36 -0.06 -1.26 -0.53 -3.43 -1.26 -5.06 115.29 102.32 2wxn s HIS 895 Ca 0.60 -0.15 0.22 0.00 -0.80 0.00 0.00 55.06 54.93 2wxn s HIS 895 Cb -0.34 0.60 1.07 0.00 -1.43 0.00 0.00 32.58 32.47 2wxn s HIS 895 CO 0.43 -0.54 1.73 -1.13 -2.00 0.00 0.00 174.74 173.23 2wxn n SER 896 N -0.59 0.00 0.06 7.38 3.41 -1.26 -1.74 113.62 120.88 2wxn n SER 896 Ca -0.06 0.17 -0.07 0.00 -0.26 0.00 0.00 58.87 58.65 2wxn n SER 896 Cb 0.61 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 2wxn n SER 896 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wxn h ASP 897 N 0.00 0.00 -0.37 4.04 3.45 -1.95 0.45 116.42 122.05 2wxn h ASP 897 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2wxn h ASP 897 Cb 0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 2wxn h ASP 897 CO 0.00 0.99 0.02 -0.46 -1.57 0.00 0.00 179.24 178.22 2wxn n ASN 898 N -3.32 4.12 -4.25 6.45 2.04 -0.71 -4.87 115.26 114.71 2wxn n ASN 898 Ca -0.01 -3.11 -0.27 0.00 -0.44 0.00 0.00 54.58 50.75 2wxn n ASN 898 Cb 0.94 -0.60 -0.15 0.00 -2.53 0.00 0.00 39.78 37.45 2wxn n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxn s ILE 899 N -2.89 1.74 0.15 1.53 1.01 -1.22 -1.76 121.20 119.76 2wxn s ILE 899 Ca 0.46 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2wxn s ILE 899 Cb 0.37 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2wxn s ILE 899 CO 0.09 0.34 -0.10 -0.04 0.00 0.00 0.00 174.94 175.23 2wxn s MET 900 N -0.90 1.07 -0.02 2.79 -1.94 0.10 -1.80 119.30 118.62 2wxn s MET 900 Ca 0.08 -1.45 0.02 0.00 -1.71 0.00 0.00 55.69 52.63 2wxn s MET 900 Cb -0.09 -0.66 0.00 0.00 2.01 0.00 0.00 34.83 36.10 2wxn s MET 900 CO 0.01 0.08 -0.07 0.42 -0.01 0.00 0.00 175.02 175.45 2wxn s ILE 901 N -3.28 0.58 0.48 2.53 1.01 -0.47 -0.62 121.20 121.43 2wxn s ILE 901 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 2wxn s ILE 901 Cb 0.02 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 2wxn s ILE 901 CO 0.01 0.18 0.76 -0.13 0.00 0.00 0.00 174.94 175.76 2wxn s ARG 902 N 0.09 3.38 0.39 2.79 0.52 0.13 -1.14 118.95 125.12 2wxn s ARG 902 Ca -0.01 0.01 0.28 0.00 -0.52 0.00 0.00 55.73 55.50 2wxn s ARG 902 Cb -0.06 -2.42 1.24 0.00 0.52 0.00 0.00 34.95 34.23 2wxn s ARG 902 CO -0.00 -0.24 1.85 0.93 0.02 0.00 0.00 175.30 177.86 2wxn h GLU 903 N 0.26 0.00 0.00 3.54 5.08 -1.54 0.10 114.58 122.02 2wxn h GLU 903 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wxn h GLU 903 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wxn h GLU 903 CO 0.61 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.49 2wxn n SER 904 N -2.59 0.78 0.00 1.42 3.41 -1.26 -4.78 113.62 110.60 2wxn n SER 904 Ca 0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2wxn n SER 904 Cb 0.22 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2wxn n SER 904 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wxn n GLY 905 N 0.90 2.33 3.69 5.00 0.00 0.02 -4.24 105.19 112.89 2wxn n GLY 905 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2wxn n GLY 905 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wxn n GLN 906 N -0.56 2.42 -4.00 1.61 6.02 -1.26 -3.35 117.38 118.28 2wxn n GLN 906 Ca 0.00 0.87 -0.31 0.00 -0.01 0.00 0.00 57.00 57.55 2wxn n GLN 906 Cb 0.00 -2.69 -0.05 0.00 1.02 0.00 0.00 30.24 28.52 2wxn n GLN 906 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2wxn s LEU 907 N 1.45 4.09 0.32 1.08 0.20 -1.26 -0.69 118.68 123.86 2wxn s LEU 907 Ca 0.79 0.16 -0.17 0.00 0.69 0.00 0.00 54.13 55.60 2wxn s LEU 907 Cb -0.60 -2.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.56 2wxn s LEU 907 CO 0.37 0.20 0.71 0.72 -0.29 0.00 0.00 176.35 178.07 2wxn s PHE 908 N -1.39 0.04 0.02 5.38 -0.12 0.21 -4.71 117.98 117.42 2wxn s PHE 908 Ca 0.30 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.68 2wxn s PHE 908 Cb -0.12 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2wxn s PHE 908 CO 0.22 -1.35 -0.20 -1.01 -0.05 0.00 0.00 175.22 172.83 2wxn s HIS 909 N -3.24 2.50 0.12 3.49 3.76 -1.26 -0.72 115.29 119.94 2wxn s HIS 909 Ca 0.15 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.84 2wxn s HIS 909 Cb -0.05 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 2wxn s HIS 909 CO 0.10 0.18 -0.20 0.96 -0.85 0.00 0.00 174.74 174.92 2wxn s ILE 910 N -0.83 1.76 -0.05 0.60 -4.36 -0.72 -4.98 121.20 112.62 2wxn s ILE 910 Ca 0.13 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2wxn s ILE 910 Cb -0.10 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.94 2wxn s ILE 910 CO 0.03 -0.15 0.05 -0.67 0.24 0.00 0.00 174.94 174.44 2wxn n ASP 911 N 0.80 -2.35 -4.29 4.36 -0.08 -1.26 -4.74 116.55 108.98 2wxn n ASP 911 Ca -0.17 -0.01 -0.45 0.00 -1.51 0.00 0.00 54.79 52.65 2wxn n ASP 911 Cb 0.55 -1.21 -0.03 0.00 2.34 0.00 0.00 41.12 42.77 2wxn n ASP 911 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2wxn s PHE 912 N -3.00 3.85 -2.50 -0.67 0.08 -1.26 -4.87 117.98 109.61 2wxn s PHE 912 Ca 0.00 -2.31 0.28 0.00 0.12 0.00 0.00 56.93 55.02 2wxn s PHE 912 Cb -0.00 -3.72 0.95 0.00 -0.57 0.00 0.00 43.02 39.68 2wxn s PHE 912 CO 0.05 -0.95 1.69 0.41 -0.10 0.00 0.00 175.22 176.32 2wxn n GLY 913 N 3.52 0.05 2.74 4.36 0.00 -1.26 -3.85 105.19 110.75 2wxn n GLY 913 Ca 0.16 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 2wxn n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxn s HIS 914 N -2.03 -0.03 0.35 1.61 3.76 -1.26 -5.04 115.29 112.64 2wxn s HIS 914 Ca 0.36 0.39 0.05 0.00 -0.15 0.00 0.00 55.06 55.72 2wxn s HIS 914 Cb 0.21 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.48 2wxn s HIS 914 CO 0.34 -0.23 0.18 1.97 -0.85 0.00 0.00 174.74 176.16 2wxn n PHE 915 N 5.31 -0.20 -1.94 1.40 -0.00 -1.26 -3.76 117.46 117.01 2wxn n PHE 915 Ca -0.04 -2.46 -0.11 0.00 -0.00 0.00 0.00 57.45 54.84 2wxn n PHE 915 Cb 0.50 0.10 -0.02 0.00 -0.00 0.00 0.00 39.48 40.05 2wxn n PHE 915 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wxn n LEU 916 N 0.00 -0.95 -0.64 5.98 4.77 0.94 -1.93 117.00 125.17 2wxn n LEU 916 Ca -0.01 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 2wxn n LEU 916 Cb 0.56 -1.93 -0.01 0.00 -2.33 0.00 0.00 43.42 39.70 2wxn n LEU 916 CO 0.29 -0.33 -0.07 0.61 -1.33 0.00 0.00 177.39 176.56 2wxn n GLY 917 N -0.52 0.41 3.37 -0.72 0.00 -0.89 -4.95 105.19 101.89 2wxn n GLY 917 Ca -0.13 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 2wxn n GLY 917 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxn s ASN 918 N -2.80 7.20 0.08 1.61 0.02 -0.81 -4.73 114.94 115.52 2wxn s ASN 918 Ca 0.00 -3.34 -0.28 0.00 -1.02 0.00 0.00 52.86 48.22 2wxn s ASN 918 Cb 0.00 -2.26 -0.17 0.00 0.02 0.00 0.00 41.25 38.84 2wxn s ASN 918 CO 0.00 -0.44 1.68 2.19 0.02 0.00 0.00 177.10 180.56 2wxn h PHE 919 N 6.93 -0.41 0.00 2.20 -0.00 -1.93 -3.42 116.94 120.30 2wxn h PHE 919 Ca 0.20 -0.01 -0.29 0.00 -0.00 0.00 0.00 57.97 57.87 2wxn h PHE 919 Cb 0.89 0.14 -0.10 0.00 -0.00 0.00 0.00 35.95 36.88 2wxn h PHE 919 CO 0.87 -0.26 1.67 -2.13 -0.00 0.00 0.00 178.31 178.47 2wxn n ARG 929 N -5.28 0.00 -2.30 6.09 3.00 -1.26 -5.21 116.66 111.70 2wxn n ARG 929 Ca -0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.32 2wxn n ARG 929 Cb 0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 32.46 31.81 2wxn n ARG 929 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wxn s VAL 930 N 0.00 4.06 0.64 5.15 0.11 -1.26 -5.01 120.40 124.09 2wxn s VAL 930 Ca 1.08 1.30 -0.17 0.00 -2.93 0.00 0.00 61.98 61.26 2wxn s VAL 930 Cb -0.69 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 30.31 2wxn s VAL 930 CO 0.47 -0.10 1.20 -2.16 -3.33 0.00 0.00 175.10 171.17 2wxn s PRO 931 N 3.53 2.70 0.34 1.54 0.04 -1.26 -4.97 135.00 136.92 2wxn s PRO 931 Ca 0.60 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 2wxn s PRO 931 Cb -0.25 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 2wxn s PRO 931 CO 0.19 -1.41 1.48 0.12 0.04 0.00 0.00 177.00 177.43 2wxn s PHE 932 N -1.77 2.74 -0.16 0.56 5.36 -1.26 -4.94 117.98 118.50 2wxn s PHE 932 Ca 0.76 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2wxn s PHE 932 Cb -0.29 -3.96 -0.00 0.00 -0.34 0.00 0.00 43.02 38.42 2wxn s PHE 932 CO 0.38 -2.92 -0.13 0.42 -1.46 0.00 0.00 175.22 171.50 2wxn s ILE 933 N -0.74 2.81 -0.25 3.12 -1.09 -1.26 -4.57 121.20 119.21 2wxn s ILE 933 Ca 0.55 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 2wxn s ILE 933 Cb -0.45 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2wxn s ILE 933 CO 0.56 0.50 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.93 2wxn s LEU 934 N 0.88 3.29 -0.07 2.97 1.43 -1.26 -4.90 118.68 121.02 2wxn s LEU 934 Ca -0.03 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.74 2wxn s LEU 934 Cb -0.15 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2wxn s LEU 934 CO -0.01 -0.16 0.59 -0.89 0.23 0.00 0.00 176.35 176.12 2wxn s THR 935 N 1.22 5.07 0.29 5.49 2.01 -1.26 -4.15 115.64 124.31 2wxn s THR 935 Ca -0.04 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.21 2wxn s THR 935 Cb -0.18 -3.93 0.32 0.00 0.01 0.00 0.00 72.50 68.71 2wxn s THR 935 CO -0.05 0.31 1.64 0.22 -0.69 0.00 0.00 174.62 176.06 2wxn h TYR 936 N 6.51 0.39 0.00 4.92 3.20 -1.94 -1.59 116.97 128.45 2wxn h TYR 936 Ca -0.42 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2wxn h TYR 936 Cb 1.19 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2wxn h TYR 936 CO 0.64 -0.22 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.47 2wxn h ASP 937 N 0.21 0.00 -0.08 -2.11 3.32 -1.95 0.18 116.42 115.99 2wxn h ASP 937 Ca 0.57 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.54 2wxn h ASP 937 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2wxn h ASP 937 CO -0.66 0.00 -0.27 -0.26 -1.72 0.00 0.00 179.24 176.33 2wxn h PHE 938 N 0.00 0.43 -0.99 4.55 0.04 -1.76 -2.72 116.94 116.49 2wxn h PHE 938 Ca 0.00 -0.18 0.17 0.00 2.80 0.00 0.00 57.97 60.76 2wxn h PHE 938 Cb 0.99 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.97 2wxn h PHE 938 CO 0.00 0.89 0.62 0.28 -0.60 0.00 0.00 178.31 179.49 2wxn h VAL 939 N -0.15 0.78 -0.56 -0.55 2.07 -1.03 0.31 116.25 117.12 2wxn h VAL 939 Ca -0.01 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2wxn h VAL 939 Cb 0.90 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2wxn h VAL 939 CO 0.06 0.15 0.11 -0.74 0.02 0.00 0.00 177.57 177.16 2wxn h HIS 940 N 0.81 0.96 -0.64 1.57 -0.00 -0.64 -1.92 115.15 115.28 2wxn h HIS 940 Ca 0.54 -0.13 -0.06 0.00 -0.00 0.00 0.00 60.37 60.72 2wxn h HIS 940 Cb 0.78 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.90 2wxn h HIS 940 CO -0.00 0.84 0.17 0.28 -0.00 0.00 0.00 177.93 179.22 2wxn h VAL 941 N 0.81 1.25 -0.60 5.26 2.07 -0.66 -2.21 116.25 122.17 2wxn h VAL 941 Ca 0.17 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2wxn h VAL 941 Cb 0.38 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2wxn h VAL 941 CO 0.01 0.34 0.33 0.40 0.02 0.00 0.00 177.57 178.66 2wxn h ILE 942 N 0.96 1.19 -0.00 4.57 2.04 -0.20 -2.68 117.51 123.38 2wxn h ILE 942 Ca 0.21 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2wxn h ILE 942 Cb 0.31 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2wxn h ILE 942 CO -0.00 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.35 2wxn n GLN 943 N -4.58 1.01 -3.71 2.37 6.02 -0.75 -4.73 117.38 113.00 2wxn n GLN 943 Ca 0.04 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 2wxn n GLN 943 Cb 0.08 -1.09 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 2wxn n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxn n GLN 944 N 0.41 -0.84 0.00 -1.09 6.02 -1.01 -0.34 117.38 120.53 2wxn n GLN 944 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2wxn n GLN 944 Cb 0.46 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.59 2wxn n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxn n GLY 945 N -1.26 2.68 3.81 1.08 0.00 -0.84 -5.01 105.19 105.65 2wxn n GLY 945 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2wxn n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxn s LYS 946 N -0.43 4.36 0.11 1.61 1.02 0.54 -4.98 119.74 121.98 2wxn s LYS 946 Ca 0.00 1.11 -0.19 0.00 0.02 0.00 0.00 55.97 56.90 2wxn s LYS 946 Cb 0.00 -2.61 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 2wxn s LYS 946 CO 0.00 0.21 1.74 1.15 -0.92 0.00 0.00 175.35 177.52 2wxn h THR 947 N 2.38 1.09 -3.82 2.17 2.02 -1.95 -3.43 112.91 111.37 2wxn h THR 947 Ca -0.48 -0.22 -0.58 0.00 0.77 0.00 0.00 66.41 65.91 2wxn h THR 947 Cb 1.19 0.85 -0.32 0.00 -1.74 0.00 0.00 68.15 68.13 2wxn h THR 947 CO 0.64 0.09 -0.84 0.20 0.37 0.00 0.00 175.52 175.97 2wxn s ASN 948 N -5.46 2.26 -0.44 4.18 0.01 -1.26 -5.06 114.94 109.18 2wxn s ASN 948 Ca -0.13 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2wxn s ASN 948 Cb 0.08 -0.70 0.24 0.00 0.41 0.00 0.00 41.25 41.28 2wxn s ASN 948 CO 0.70 0.15 0.98 -3.20 -1.51 0.00 0.00 177.10 174.21 2wxn n ASN 949 N 3.22 -2.42 0.22 -1.22 2.85 -1.26 -5.02 115.26 111.63 2wxn n ASN 949 Ca -0.19 -2.54 0.13 0.00 -0.11 0.00 0.00 54.58 51.87 2wxn n ASN 949 Cb 0.53 1.39 0.30 0.00 1.24 0.00 0.00 39.78 43.24 2wxn n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxn h SER 950 N 3.99 0.00 -0.04 1.20 4.64 -1.97 0.24 113.55 121.62 2wxn h SER 950 Ca -0.11 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2wxn h SER 950 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2wxn h SER 950 CO 0.08 0.00 -0.14 -0.08 -0.87 0.00 0.00 176.83 175.81 2wxn h GLU 951 N 0.00 -0.21 0.02 4.77 4.81 -1.98 0.46 114.58 122.44 2wxn h GLU 951 Ca 0.00 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 2wxn h GLU 951 Cb 0.87 0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.32 2wxn h GLU 951 CO 0.00 -0.14 -1.01 0.87 -0.73 0.00 0.00 179.01 178.00 2wxn h LYS 952 N -0.22 0.66 -0.58 1.92 1.79 -1.79 -2.75 116.57 115.60 2wxn h LYS 952 Ca 0.06 -0.73 -0.01 0.00 -2.18 0.00 0.00 60.65 57.80 2wxn h LYS 952 Cb 0.31 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2wxn h LYS 952 CO -0.17 1.31 0.34 0.35 -1.08 0.00 0.00 179.45 180.19 2wxn h PHE 953 N 0.32 0.78 -0.03 -1.35 3.57 -0.48 -2.53 116.94 117.20 2wxn h PHE 953 Ca -0.13 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 2wxn h PHE 953 Cb 1.68 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2wxn h PHE 953 CO 0.11 0.55 -0.56 0.93 -2.23 0.00 0.00 178.31 177.11 2wxn h GLU 954 N 0.78 0.10 -0.95 1.11 4.39 -0.17 -1.98 114.58 117.86 2wxn h GLU 954 Ca 0.21 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.88 2wxn h GLU 954 Cb 0.01 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 2wxn h GLU 954 CO -0.04 0.63 0.61 0.00 -1.16 0.00 0.00 179.01 179.06 2wxn h ARG 955 N 0.08 1.14 -0.26 2.33 3.08 -1.39 -2.01 114.38 117.35 2wxn h ARG 955 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wxn h ARG 955 Cb 1.01 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2wxn h ARG 955 CO 0.08 0.75 0.14 0.35 -1.07 0.00 0.00 179.97 180.22 2wxn h PHE 956 N 1.17 0.25 -0.79 3.04 3.57 -0.99 -2.36 116.94 120.83 2wxn h PHE 956 Ca 0.38 0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.02 2wxn h PHE 956 Cb 0.04 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 2wxn h PHE 956 CO -0.01 0.15 0.52 -0.09 -2.23 0.00 0.00 178.31 176.64 2wxn h ARG 957 N 0.29 0.56 0.41 1.11 2.43 -0.85 -2.67 114.38 115.67 2wxn h ARG 957 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2wxn h ARG 957 Cb 0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2wxn h ARG 957 CO -0.06 0.37 -0.20 0.78 -1.51 0.00 0.00 179.97 179.35 2wxn h GLY 958 N 0.58 -0.58 -0.87 2.80 0.00 -0.87 -1.60 103.07 102.53 2wxn h GLY 958 Ca 0.38 0.22 0.17 0.00 0.00 0.00 0.00 47.33 48.09 2wxn h GLY 958 CO -0.14 -0.21 -0.25 -1.72 0.00 0.00 0.00 176.54 174.22 2wxn n TYR 959 N -5.27 0.25 -0.32 5.60 4.01 -1.01 -0.58 117.16 119.84 2wxn n TYR 959 Ca -0.11 1.06 -0.04 0.00 -0.16 0.00 0.00 57.90 58.65 2wxn n TYR 959 Cb 0.27 -0.96 0.08 0.00 -0.31 0.00 0.00 39.34 38.42 2wxn n TYR 959 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wxn h GLU 961 N 1.23 0.42 -0.17 0.00 5.08 0.16 -0.81 114.58 120.49 2wxn h GLU 961 Ca 0.31 -0.48 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2wxn h GLU 961 Cb 0.05 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2wxn h GLU 961 CO -0.05 1.14 -0.34 0.00 -1.00 0.00 0.00 179.01 178.77 2wxn h ARG 962 N -0.09 -0.37 -0.30 2.33 3.08 -1.10 -0.10 114.38 117.82 2wxn h ARG 962 Ca -0.09 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2wxn h ARG 962 Cb 1.39 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 2wxn h ARG 962 CO 0.13 -0.25 0.09 0.00 -1.07 0.00 0.00 179.97 178.87 2wxn h ALA 963 N 0.43 0.33 -0.02 0.04 0.00 -1.36 0.96 119.26 119.64 2wxn h ALA 963 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wxn h ALA 963 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wxn h ALA 963 CO -0.39 -0.32 -0.01 -0.92 0.00 0.00 0.00 179.25 177.61 2wxn h TYR 964 N 0.21 -0.03 -0.09 0.00 3.20 -1.08 -2.66 116.97 116.52 2wxn h TYR 964 Ca 0.13 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 2wxn h TYR 964 Cb 0.12 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2wxn h TYR 964 CO -0.15 -0.02 -0.45 1.79 -1.64 0.00 0.00 178.16 177.69 2wxn h THR 965 N -0.01 1.33 -0.62 1.81 1.35 -0.63 -2.27 112.91 113.86 2wxn h THR 965 Ca 0.01 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 2wxn h THR 965 Cb 0.03 1.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2wxn h THR 965 CO -0.03 0.48 0.40 0.40 -0.25 0.00 0.00 175.52 176.52 2wxn h ILE 966 N 0.17 1.17 0.00 6.82 2.04 -0.71 -2.73 117.51 124.27 2wxn h ILE 966 Ca 0.01 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 2wxn h ILE 966 Cb 0.87 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2wxn h ILE 966 CO 0.07 0.17 -0.38 -0.07 0.00 0.00 0.00 178.15 177.93 2wxn h LEU 967 N 0.84 0.00 -1.34 1.44 3.38 -1.06 -2.25 115.31 116.32 2wxn h LEU 967 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2wxn h LEU 967 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wxn h LEU 967 CO -0.05 0.38 0.15 0.03 0.09 0.00 0.00 178.44 179.05 2wxn h ARG 968 N 0.00 0.60 -0.27 1.13 3.08 -1.18 -1.00 114.38 116.73 2wxn h ARG 968 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wxn h ARG 968 Cb 0.79 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2wxn h ARG 968 CO 0.05 0.51 0.18 0.00 -1.07 0.00 0.00 179.97 179.64 2wxn h ARG 969 N 0.59 0.36 -0.53 0.04 3.08 -1.16 -1.76 114.38 114.99 2wxn h ARG 969 Ca 0.14 -0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.89 2wxn h ARG 969 Cb 0.15 -0.08 -0.17 0.00 0.08 0.00 0.00 29.97 29.95 2wxn h ARG 969 CO -0.01 0.24 0.09 0.72 -1.07 0.00 0.00 179.97 179.94 2wxn n HIS 970 N -4.50 1.66 -0.24 3.04 8.25 -0.66 -4.69 115.22 118.08 2wxn n HIS 970 Ca 0.01 -1.73 0.04 0.00 -0.26 0.00 0.00 57.72 55.78 2wxn n HIS 970 Cb 0.07 -0.63 0.17 0.00 1.12 0.00 0.00 29.99 30.72 2wxn n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxn h GLY 971 N 1.06 1.05 2.00 -1.41 0.00 -0.28 -0.82 103.07 104.66 2wxn h GLY 971 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2wxn h GLY 971 CO 0.60 -0.11 0.00 1.41 0.00 0.00 0.00 176.54 178.44 2wxn h LEU 972 N 0.38 0.00 0.01 3.11 3.38 -1.83 -1.54 115.31 118.82 2wxn h LEU 972 Ca 0.39 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.09 2wxn h LEU 972 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 2wxn h LEU 972 CO -0.42 0.00 -1.07 0.25 0.09 0.00 0.00 178.44 177.29 2wxn h LEU 973 N 0.00 0.91 -0.57 1.67 5.85 -1.51 -1.77 115.31 119.88 2wxn h LEU 973 Ca 0.00 -0.74 -0.11 0.00 0.84 0.00 0.00 57.88 57.87 2wxn h LEU 973 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2wxn h LEU 973 CO 0.00 1.54 -0.10 -0.26 -0.34 0.00 0.00 178.44 179.29 2wxn h PHE 974 N 0.38 1.16 -0.70 1.25 0.04 -1.37 -1.44 116.94 116.25 2wxn h PHE 974 Ca -0.14 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.39 2wxn h PHE 974 Cb 1.73 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.56 2wxn h PHE 974 CO 0.10 1.06 0.40 -0.07 -0.60 0.00 0.00 178.31 179.21 2wxn h LEU 975 N 0.92 0.85 -0.27 1.54 3.38 -1.32 -1.86 115.31 118.56 2wxn h LEU 975 Ca 0.15 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2wxn h LEU 975 Cb 0.66 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2wxn h LEU 975 CO 0.05 0.68 0.00 0.45 0.09 0.00 0.00 178.44 179.71 2wxn h HIS 976 N 0.95 0.51 -0.72 1.13 3.86 -1.22 -0.30 115.15 119.36 2wxn h HIS 976 Ca 0.25 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 2wxn h HIS 976 Cb 0.00 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 2wxn h HIS 976 CO -0.01 0.62 0.45 -0.07 0.86 0.00 0.00 177.93 179.78 2wxn h LEU 977 N 0.26 0.74 -0.65 2.43 3.38 -1.23 -2.20 115.31 118.05 2wxn h LEU 977 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2wxn h LEU 977 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wxn h LEU 977 CO 0.01 0.51 -0.48 -0.26 0.09 0.00 0.00 178.44 178.32 2wxn h PHE 978 N 0.88 0.60 -0.92 1.13 -1.00 -1.26 -2.07 116.94 114.30 2wxn h PHE 978 Ca 0.29 -0.19 0.10 0.00 2.81 0.00 0.00 57.97 60.98 2wxn h PHE 978 Cb 0.03 -0.12 -0.08 0.00 3.61 0.00 0.00 35.95 39.39 2wxn h PHE 978 CO -0.04 0.88 0.56 0.00 -1.61 0.00 0.00 178.31 178.09 2wxn h ALA 979 N 1.09 1.33 0.00 2.45 0.00 -0.59 -0.32 119.26 123.22 2wxn h ALA 979 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2wxn h ALA 979 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2wxn h ALA 979 CO 0.09 0.20 -0.40 -0.07 0.00 0.00 0.00 179.25 179.08 2wxn h LEU 980 N 0.93 0.00 -0.69 0.00 3.38 -1.24 -3.09 115.31 114.60 2wxn h LEU 980 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2wxn h LEU 980 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wxn h LEU 980 CO -0.24 0.40 0.00 0.24 0.09 0.00 0.00 178.44 178.93 2wxn h MET 981 N 0.00 0.00 -0.27 1.13 2.86 -0.34 -2.86 114.93 115.45 2wxn h MET 981 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2wxn h MET 981 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2wxn h MET 981 CO 0.05 0.00 0.43 0.00 1.06 0.00 0.00 176.91 178.45 2wxn h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.35 0.17 114.38 118.00 2wxn h ARG 982 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxn h ARG 982 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2wxn h ARG 982 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2wxn h ALA 983 N 1.39 1.00 0.00 0.04 0.00 -1.74 -3.19 119.26 116.75 2wxn h ALA 983 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wxn h ALA 983 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wxn h ALA 983 CO -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.09 2wxn h ALA 984 N 2.09 1.26 0.00 0.00 0.00 -0.87 -3.48 119.26 118.27 2wxn h ALA 984 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wxn h ALA 984 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wxn h ALA 984 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2wxn n GLY 985 N -0.54 2.98 0.72 0.00 0.00 -1.21 -4.99 105.19 102.16 2wxn n GLY 985 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2wxn n GLY 985 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxn n LEU 986 N 0.00 0.12 0.22 0.99 4.32 -1.26 -4.79 117.00 116.60 2wxn n LEU 986 Ca 0.00 0.23 0.07 0.00 -0.02 0.00 0.00 56.01 56.30 2wxn n LEU 986 Cb 0.00 -0.18 0.60 0.00 -1.62 0.00 0.00 43.42 42.22 2wxn n LEU 986 CO 0.00 -0.27 1.08 -0.65 -1.22 0.00 0.00 177.39 176.33 2wxn h PRO 987 N 0.80 0.08 -0.48 3.23 0.11 -2.02 -1.33 132.00 132.40 2wxn h PRO 987 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2wxn h PRO 987 Cb 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2wxn h PRO 987 CO 0.16 0.06 0.00 -1.91 -0.21 0.00 0.00 178.00 176.10 2wxn n GLU 988 N -4.52 2.50 -3.47 1.05 2.13 -1.26 -4.34 120.64 112.72 2wxn n GLU 988 Ca -0.02 -2.28 -0.27 0.00 0.66 0.00 0.00 57.16 55.24 2wxn n GLU 988 Cb 0.09 -1.52 -0.10 0.00 0.27 0.00 0.00 31.44 30.18 2wxn n GLU 988 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2wxn n LEU 989 N 1.44 0.09 0.03 4.31 7.94 -0.50 -4.91 117.00 125.40 2wxn n LEU 989 Ca 0.21 -4.51 0.00 0.00 -1.11 0.00 0.00 56.01 50.59 2wxn n LEU 989 Cb 0.58 0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.87 2wxn n LEU 989 CO 0.16 1.84 -0.20 -1.54 -1.11 0.00 0.00 177.39 176.54 2wxn n SER 990 N 2.69 0.34 -3.88 1.96 3.41 -1.26 -4.51 113.62 112.37 2wxn n SER 990 Ca 0.28 0.11 -0.19 0.00 -0.26 0.00 0.00 58.87 58.81 2wxn n SER 990 Cb 0.46 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2wxn n SER 990 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxn h SER 992 N 0.59 0.00 0.10 0.00 0.02 -2.01 -3.20 113.55 109.04 2wxn h SER 992 Ca -0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2wxn h SER 992 Cb 0.86 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2wxn h SER 992 CO 0.41 0.30 -0.10 0.11 -1.14 0.00 0.00 176.83 176.40 2wxn h LYS 993 N 0.00 0.02 -0.32 3.45 1.79 -1.99 -1.65 116.57 117.88 2wxn h LYS 993 Ca -0.00 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 2wxn h LYS 993 Cb 0.70 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2wxn h LYS 993 CO 0.04 0.13 -0.43 -0.44 -1.08 0.00 0.00 179.45 177.66 2wxn h ASP 994 N 0.02 0.88 -0.27 0.86 3.32 -1.92 -2.53 116.42 116.78 2wxn h ASP 994 Ca 0.00 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.49 2wxn h ASP 994 Cb 0.20 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2wxn h ASP 994 CO 0.01 1.18 -0.41 0.40 -1.72 0.00 0.00 179.24 178.71 2wxn h ILE 995 N 0.65 1.30 -0.99 0.35 1.08 -1.67 -2.33 117.51 115.90 2wxn h ILE 995 Ca 0.04 -1.60 0.23 0.00 -0.39 0.00 0.00 64.86 63.15 2wxn h ILE 995 Cb 1.01 1.66 -0.09 0.00 -3.07 0.00 0.00 36.82 36.33 2wxn h ILE 995 CO 0.10 0.51 0.64 -0.61 -0.69 0.00 0.00 178.15 178.10 2wxn h GLN 996 N 0.50 0.45 -0.47 2.37 5.75 -1.28 -0.06 115.11 122.37 2wxn h GLN 996 Ca 0.03 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2wxn h GLN 996 Cb 1.00 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.40 2wxn h GLN 996 CO 0.09 0.30 0.15 -0.92 -2.65 0.00 0.00 178.83 175.80 2wxn h TYR 997 N 0.46 0.26 -0.71 3.99 3.20 -0.96 0.24 116.97 123.45 2wxn h TYR 997 Ca 0.55 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.40 2wxn h TYR 997 Cb 1.30 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2wxn h TYR 997 CO -0.00 0.07 0.26 -0.07 -1.64 0.00 0.00 178.16 176.78 2wxn h LEU 998 N 0.31 0.99 -0.52 2.82 3.38 -1.10 -1.68 115.31 119.51 2wxn h LEU 998 Ca 0.23 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2wxn h LEU 998 Cb 0.25 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 2wxn h LEU 998 CO -0.25 0.91 -0.06 0.11 0.09 0.00 0.00 178.44 179.24 2wxn h LYS 999 N 1.02 0.06 -0.08 1.13 1.57 0.04 -1.46 116.57 118.85 2wxn h LYS 999 Ca 0.23 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.81 2wxn h LYS 999 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wxn h LYS 999 CO -0.02 0.04 -0.77 -0.44 -0.57 0.00 0.00 179.45 177.69 2wxn h ASP 1000N 0.06 0.57 -0.02 0.86 3.32 -0.75 -1.87 116.42 118.59 2wxn h ASP 1000Ca 0.26 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 2wxn h ASP 1000Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wxn h ASP 1000CO -0.48 1.14 -0.31 0.77 -1.72 0.00 0.00 179.24 178.64 2wxn h SER 1001N 0.31 0.49 0.07 6.45 4.64 -1.00 -2.79 113.55 121.72 2wxn h SER 1001Ca -0.04 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2wxn h SER 1001Cb 1.36 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2wxn h SER 1001CO 0.14 0.78 -0.07 0.18 -0.87 0.00 0.00 176.83 176.99 2wxn n LEU 1002N -4.08 1.19 -4.30 5.97 4.77 -0.58 -4.88 117.00 115.09 2wxn n LEU 1002Ca -0.01 -0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 55.30 2wxn n LEU 1002Cb 0.44 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2wxn n LEU 1002CO 0.43 0.20 -0.46 0.00 -1.33 0.00 0.00 177.39 176.23 2wxn n ALA 1003N -0.19 -2.00 1.58 -1.18 0.00 -0.72 -4.74 120.51 113.26 2wxn n ALA 1003Ca 0.18 -0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.35 2wxn n ALA 1003Cb 0.33 -0.87 0.78 0.00 0.00 0.00 0.00 19.45 19.69 2wxn n ALA 1003CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wxn n LEU 1004N -4.57 0.00 0.03 0.00 -0.00 -1.09 -2.24 117.00 109.13 2wxn n LEU 1004Ca -0.32 0.10 0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2wxn n LEU 1004Cb 0.70 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2wxn n LEU 1004CO 0.84 -0.01 -0.15 0.61 -0.00 0.00 0.00 177.39 178.68 2wxn n GLY 1005N 0.83 -1.20 3.95 -3.96 0.00 -1.26 -4.99 105.19 98.56 2wxn n GLY 1005Ca 0.18 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2wxn n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxn s LYS 1006N -3.28 3.04 0.89 1.61 1.02 -0.95 -5.09 119.74 116.98 2wxn s LYS 1006Ca 0.01 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 2wxn s LYS 1006Cb 0.14 -2.51 0.12 0.00 -0.52 0.00 0.00 37.83 35.06 2wxn s LYS 1006CO 0.82 -0.34 1.09 0.95 -0.92 0.00 0.00 175.35 176.95 2wxn s THR 1007N -2.63 2.70 -0.83 2.17 -4.23 -1.26 -4.85 115.64 106.71 2wxn s THR 1007Ca 0.49 0.23 0.19 0.00 -1.18 0.00 0.00 61.69 61.42 2wxn s THR 1007Cb -0.10 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.20 2wxn s THR 1007CO 0.39 -0.30 1.60 1.21 -0.54 0.00 0.00 174.62 176.98 2wxn n GLU 1008N -3.85 0.07 -0.03 3.99 2.13 -1.26 -2.13 120.64 119.57 2wxn n GLU 1008Ca 0.07 0.27 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 2wxn n GLU 1008Cb 0.55 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.53 2wxn n GLU 1008CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2wxn h GLU 1009N 0.00 0.08 -0.19 5.31 4.57 -1.99 -3.12 114.58 119.25 2wxn h GLU 1009Ca 0.00 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 2wxn h GLU 1009Cb 0.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2wxn h GLU 1009CO 0.00 0.68 -0.42 0.93 -1.18 0.00 0.00 179.01 179.03 2wxn h GLU 1010N -0.50 0.61 -0.62 1.92 5.08 -1.83 -1.39 114.58 117.85 2wxn h GLU 1010Ca -0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2wxn h GLU 1010Cb 0.69 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2wxn h GLU 1010CO 0.01 1.03 0.29 0.00 -1.00 0.00 0.00 179.01 179.35 2wxn h ALA 1011N 0.58 0.80 -0.15 3.43 0.00 -1.58 0.37 119.26 122.71 2wxn h ALA 1011Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2wxn h ALA 1011Cb 1.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2wxn h ALA 1011CO 0.09 0.37 -0.33 1.25 0.00 0.00 0.00 179.25 180.63 2wxn h LEU 1012N 0.85 0.31 -0.17 0.00 5.85 -1.46 0.35 115.31 121.03 2wxn h LEU 1012Ca 0.21 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2wxn h LEU 1012Cb 0.12 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2wxn h LEU 1012CO -0.03 0.63 -0.19 0.50 -0.34 0.00 0.00 178.44 179.01 2wxn h LYS 1013N 0.26 0.43 0.81 1.25 1.63 -0.65 -1.32 116.57 118.99 2wxn h LYS 1013Ca 0.03 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.56 2wxn h LYS 1013Cb 0.72 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2wxn h LYS 1013CO 0.05 0.81 -0.39 1.25 -3.45 0.00 0.00 179.45 177.72 2wxn h HIS 1014N 0.08 -1.01 -0.93 1.91 2.76 0.11 -1.59 115.15 116.48 2wxn h HIS 1014Ca 0.03 -0.02 0.35 0.00 -2.20 0.00 0.00 60.37 58.52 2wxn h HIS 1014Cb 0.74 0.33 -0.17 0.00 1.55 0.00 0.00 27.41 29.86 2wxn h HIS 1014CO 0.08 -0.63 0.35 0.34 -1.30 0.00 0.00 177.93 176.78 2wxn n PHE 1015N -4.99 0.93 0.16 5.26 7.35 0.12 -0.14 117.46 126.15 2wxn n PHE 1015Ca -0.13 1.11 0.01 0.00 -0.76 0.00 0.00 57.45 57.67 2wxn n PHE 1015Cb 0.43 -1.41 0.29 0.00 0.35 0.00 0.00 39.48 39.14 2wxn n PHE 1015CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wxn h ARG 1016N 0.00 0.05 -0.33 -4.13 3.08 -0.37 0.62 114.38 113.30 2wxn h ARG 1016Ca 0.72 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.64 2wxn h ARG 1016Cb 1.80 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 2wxn h ARG 1016CO -0.77 0.47 -0.20 0.28 -1.07 0.00 0.00 179.97 178.69 2wxn h VAL 1017N 0.04 1.29 -0.31 2.04 2.07 0.37 -2.63 116.25 119.12 2wxn h VAL 1017Ca 0.00 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 2wxn h VAL 1017Cb 0.78 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2wxn h VAL 1017CO 0.06 0.43 0.18 0.11 0.02 0.00 0.00 177.57 178.38 2wxn h LYS 1018N 0.49 0.43 -0.49 1.57 1.79 -0.22 -0.28 116.57 119.86 2wxn h LYS 1018Ca 0.07 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2wxn h LYS 1018Cb 0.75 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2wxn h LYS 1018CO 0.06 0.34 0.23 0.35 -1.08 0.00 0.00 179.45 179.35 2wxn h PHE 1019N 0.40 0.71 -0.07 -1.35 3.57 -0.99 -1.16 116.94 118.05 2wxn h PHE 1019Ca 0.11 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2wxn h PHE 1019Cb 0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2wxn h PHE 1019CO -0.04 0.56 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.64 2wxn h ASN 1020N 0.65 -0.17 -0.97 0.41 2.35 -1.29 -0.35 115.58 116.20 2wxn h ASN 1020Ca 0.17 0.04 0.17 0.00 -0.55 0.00 0.00 56.30 56.13 2wxn h ASN 1020Cb 0.12 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 38.49 2wxn h ASN 1020CO -0.02 -0.08 0.61 -0.33 -1.65 0.00 0.00 177.43 175.96 2wxn h GLU 1021N -0.06 0.71 -0.56 0.81 5.08 -0.66 0.09 114.58 119.98 2wxn h GLU 1021Ca 0.05 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2wxn h GLU 1021Cb 0.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2wxn h GLU 1021CO -0.11 0.47 -0.04 0.00 -1.00 0.00 0.00 179.01 178.34 2wxn h ALA 1022N 1.61 0.76 -0.13 3.43 0.00 -0.27 -2.94 119.26 121.72 2wxn h ALA 1022Ca 0.53 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wxn h ALA 1022Cb 0.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wxn h ALA 1022CO -0.30 0.62 0.03 1.25 0.00 0.00 0.00 179.25 180.85 2wxn h LEU 1023N 0.90 0.02 -0.94 0.00 5.85 0.66 -2.32 115.31 119.48 2wxn h LEU 1023Ca 0.15 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.05 2wxn h LEU 1023Cb 0.59 0.02 -0.16 0.00 0.37 0.00 0.00 40.66 41.48 2wxn h LEU 1023CO 0.04 0.03 -0.32 0.54 -0.34 0.00 0.00 178.44 178.39 2wxn n ARG 1024N -5.08 -0.17 -0.04 1.25 1.74 -0.77 -0.29 116.66 113.30 2wxn n ARG 1024Ca -0.04 1.46 -0.01 0.00 -0.77 0.00 0.00 57.85 58.49 2wxn n ARG 1024Cb 0.06 -2.17 0.27 0.00 -1.02 0.00 0.00 32.46 29.60 2wxn n ARG 1024CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wxn h GLU 1025N 0.00 0.62 -6.28 5.56 4.39 -1.31 -3.39 114.58 114.17 2wxn h GLU 1025Ca 0.38 -0.12 -0.56 0.00 0.34 0.00 0.00 59.36 59.40 2wxn h GLU 1025Cb 0.61 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2wxn h GLU 1025CO -0.95 0.60 1.26 0.45 -1.16 0.00 0.00 179.01 179.20 2wxn n SER 1026N -4.29 3.89 0.00 1.42 2.88 0.60 -4.95 113.62 113.17 2wxn n SER 1026Ca 0.02 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2wxn n SER 1026Cb 0.22 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 2wxn n SER 1026CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60