#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xls n GLN 118 N 0.00 0.27 0.22 -3.83 7.27 -1.26 -4.33 117.38 115.72 1xls n GLN 118 Ca 0.00 0.12 0.16 0.00 0.07 0.00 0.00 57.00 57.35 1xls n GLN 118 Cb 0.00 -0.95 0.84 0.00 2.41 0.00 0.00 30.24 32.54 1xls n GLN 118 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1xls h GLN 119 N -0.46 0.00 0.43 3.69 4.15 -2.06 -2.02 115.11 118.85 1xls h GLN 119 Ca -0.30 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 1xls h GLN 119 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1xls h GLN 119 CO -0.18 0.00 -0.20 1.96 -1.93 0.00 0.00 178.83 178.47 1xls h GLN 120 N 0.00 -0.55 -0.69 1.69 4.20 -2.00 -1.48 115.11 116.28 1xls h GLN 120 Ca 0.07 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.01 1xls h GLN 120 Cb 0.37 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1xls h GLN 120 CO -0.00 -0.28 0.76 0.87 -0.67 0.00 0.00 178.83 179.51 1xls h LYS 121 N -1.06 0.00 0.02 1.46 1.57 -1.57 0.80 116.57 117.79 1xls h LYS 121 Ca -0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1xls h LYS 121 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1xls h LYS 121 CO 0.10 0.00 -0.51 0.93 -0.57 0.00 0.00 179.45 179.39 1xls h GLU 122 N 0.00 0.31 0.08 3.15 5.08 -1.22 -2.31 114.58 119.67 1xls h GLU 122 Ca 0.33 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xls h GLU 122 Cb 1.84 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1xls h GLU 122 CO -0.00 1.07 -0.04 1.25 -1.00 0.00 0.00 179.01 180.29 1xls h LEU 123 N -0.29 -0.09 -0.91 1.33 6.46 0.16 0.22 115.31 122.19 1xls h LEU 123 Ca -0.07 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.74 1xls h LEU 123 Cb 1.27 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.15 1xls h LEU 123 CO 0.10 -0.02 0.56 0.58 -0.62 0.00 0.00 178.44 179.04 1xls h VAL 124 N -0.14 0.98 -0.09 1.05 2.07 -1.11 0.12 116.25 119.13 1xls h VAL 124 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xls h VAL 124 Cb 0.12 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1xls h VAL 124 CO 0.02 0.18 0.03 -0.61 0.02 0.00 0.00 177.57 177.20 1xls h GLN 125 N 0.96 0.07 0.13 1.57 4.15 -0.80 0.26 115.11 121.46 1xls h GLN 125 Ca 0.42 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.86 1xls h GLN 125 Cb 0.30 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1xls h GLN 125 CO -0.22 0.05 -0.31 0.82 -1.93 0.00 0.00 178.83 177.24 1xls h ILE 126 N 0.07 0.33 0.12 2.39 5.03 0.88 -1.88 117.51 124.45 1xls h ILE 126 Ca 0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.78 1xls h ILE 126 Cb 0.03 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 34.14 1xls h ILE 126 CO -0.05 0.00 -0.17 -0.07 -0.68 0.00 0.00 178.15 177.18 1xls h LEU 127 N -0.54 -0.48 -0.91 1.44 3.38 -0.53 -1.46 115.31 116.20 1xls h LEU 127 Ca 0.03 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.39 1xls h LEU 127 Cb 0.57 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 1xls h LEU 127 CO -0.18 -0.21 0.38 0.18 0.09 0.00 0.00 178.44 178.71 1xls n LEU 128 N -3.37 0.22 0.09 1.67 4.77 0.89 -0.66 117.00 120.62 1xls n LEU 128 Ca -0.04 1.51 -0.12 0.00 -0.03 0.00 0.00 56.01 57.34 1xls n LEU 128 Cb 0.15 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1xls n LEU 128 CO 0.07 -1.66 0.47 1.23 -1.33 0.00 0.00 177.39 176.18 1xls h GLY 129 N 0.00 -0.30 -0.12 -0.72 0.00 -0.86 -0.86 103.07 100.22 1xls h GLY 129 Ca 0.72 0.11 0.20 0.00 0.00 0.00 0.00 47.33 48.36 1xls h GLY 129 CO -0.73 -0.11 0.36 0.00 0.00 0.00 0.00 176.54 176.06 1xls h ALA 130 N -0.22 1.33 0.77 3.60 0.00 0.17 -0.68 119.26 124.23 1xls h ALA 130 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xls h ALA 130 Cb 0.51 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xls h ALA 130 CO 0.05 -0.31 -0.37 1.25 0.00 0.00 0.00 179.25 179.87 1xls h HIS 131 N 0.41 -0.95 -0.12 0.00 6.17 -0.98 -1.64 115.15 118.03 1xls h HIS 131 Ca 0.52 -0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.61 1xls h HIS 131 Cb 0.94 0.32 -0.00 0.00 2.52 0.00 0.00 27.41 31.18 1xls h HIS 131 CO -0.15 -0.59 0.19 1.79 0.71 0.00 0.00 177.93 179.87 1xls h THR 132 N -1.22 0.33 0.12 6.26 1.35 -0.64 0.53 112.91 119.64 1xls h THR 132 Ca -0.11 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.43 1xls h THR 132 Cb 0.79 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1xls h THR 132 CO 0.17 0.00 -1.66 -0.09 -0.25 0.00 0.00 175.52 173.70 1xls h ARG 133 N 0.00 0.25 0.00 4.72 2.43 -1.07 -3.39 114.38 117.31 1xls h ARG 133 Ca 0.06 -0.42 -0.16 0.00 -0.81 0.00 0.00 59.98 58.65 1xls h ARG 133 Cb 0.43 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1xls h ARG 133 CO -0.00 1.09 -1.78 0.72 -1.51 0.00 0.00 179.97 178.49 1xls n HIS 134 N -3.43 0.00 -0.01 2.20 8.25 -0.62 -4.85 115.22 116.75 1xls n HIS 134 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1xls n HIS 134 Cb 1.05 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 1xls n HIS 134 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1xls n VAL 135 N -2.32 0.09 -0.27 1.59 0.24 0.10 -4.54 118.33 113.22 1xls n VAL 135 Ca -0.15 -0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.26 1xls n VAL 135 Cb 0.75 -0.60 0.29 0.00 -1.47 0.00 0.00 33.84 32.80 1xls n VAL 135 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xls n GLY 136 N 3.40 -0.97 1.34 7.63 0.00 -0.71 0.10 105.19 115.98 1xls n GLY 136 Ca -0.03 0.75 0.10 0.00 0.00 0.00 0.00 46.02 46.83 1xls n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xls n PRO 137 N -5.04 2.98 0.23 1.61 -0.04 -1.26 -4.42 135.00 129.06 1xls n PRO 137 Ca 0.21 -2.47 0.09 0.00 -0.04 0.00 0.00 63.50 61.29 1xls n PRO 137 Cb 0.71 -1.67 0.58 0.00 -0.04 0.00 0.00 33.50 33.07 1xls n PRO 137 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1xls h LEU 138 N 3.78 0.00 -0.43 1.53 8.10 0.43 -3.13 115.31 125.59 1xls h LEU 138 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1xls h LEU 138 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.31 1xls h LEU 138 CO 0.10 0.20 -0.25 -0.26 -4.11 0.00 0.00 178.44 174.13 1xls h PHE 139 N 0.00 1.08 0.00 0.17 -1.00 -1.77 -2.79 116.94 112.63 1xls h PHE 139 Ca -0.00 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 1xls h PHE 139 Cb 0.48 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 1xls h PHE 139 CO 0.00 1.09 -0.05 -0.44 -1.61 0.00 0.00 178.31 177.30 1xls h ASP 140 N 0.76 0.00 -0.04 2.17 3.45 -1.85 -2.48 116.42 118.44 1xls h ASP 140 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1xls h ASP 140 Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1xls h ASP 140 CO 0.07 0.05 0.00 0.00 -1.57 0.00 0.00 179.24 177.79 1xls n GLN 141 N -4.03 1.14 0.22 3.56 1.13 -1.05 -4.09 117.38 114.26 1xls n GLN 141 Ca -0.03 -0.21 0.06 0.00 -1.94 0.00 0.00 57.00 54.88 1xls n GLN 141 Cb 0.14 -1.20 0.50 0.00 0.11 0.00 0.00 30.24 29.78 1xls n GLN 141 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1xls h PHE 142 N 0.39 0.00 0.00 1.08 0.04 -1.53 -2.36 116.94 114.56 1xls h PHE 142 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xls h PHE 142 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1xls h PHE 142 CO 0.03 0.25 0.00 1.33 -0.60 0.00 0.00 178.31 179.32 1xls n VAL 143 N -3.99 1.80 0.54 -0.55 0.24 -1.26 -1.24 118.33 113.88 1xls n VAL 143 Ca -0.02 0.49 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 1xls n VAL 143 Cb 0.32 -1.46 0.43 0.00 -1.47 0.00 0.00 33.84 31.67 1xls n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xls n GLN 144 N -1.56 0.25 -2.08 7.34 6.02 -0.89 -4.14 117.38 122.31 1xls n GLN 144 Ca 0.00 0.29 -0.32 0.00 -0.01 0.00 0.00 57.00 56.96 1xls n GLN 144 Cb 0.02 -1.84 0.03 0.00 1.02 0.00 0.00 30.24 29.47 1xls n GLN 144 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1xls n PHE 145 N -2.28 3.15 -3.73 1.08 3.72 -0.37 -4.95 117.46 114.07 1xls n PHE 145 Ca 0.04 -2.70 -0.30 0.00 -0.05 0.00 0.00 57.45 54.44 1xls n PHE 145 Cb 0.36 -0.69 0.03 0.00 -0.94 0.00 0.00 39.48 38.25 1xls n PHE 145 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xls n ARG 146 N -0.58 -1.73 -2.41 -1.08 3.00 -1.26 -4.67 116.66 107.93 1xls n ARG 146 Ca 0.48 0.45 -0.42 0.00 -0.01 0.00 0.00 57.85 58.35 1xls n ARG 146 Cb 0.54 -4.21 -0.03 0.00 0.00 0.00 0.00 32.46 28.75 1xls n ARG 146 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xls s PRO 147 N -6.10 4.47 0.27 5.56 0.04 -1.26 -4.78 135.00 133.21 1xls s PRO 147 Ca 0.38 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1xls s PRO 147 Cb -0.14 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 30.98 1xls s PRO 147 CO 0.87 -0.17 1.42 -2.30 0.04 0.00 0.00 177.00 176.86 1xls n PRO 148 N 3.27 2.21 -0.32 0.56 -0.02 -1.26 -4.86 135.00 134.57 1xls n PRO 148 Ca 0.07 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1xls n PRO 148 Cb 0.46 -2.45 0.16 0.00 -0.02 0.00 0.00 33.50 31.64 1xls n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xls n ALA 149 N 1.60 0.27 -0.28 3.55 0.00 -1.26 -1.49 120.51 122.90 1xls n ALA 149 Ca 0.09 1.00 0.10 0.00 0.00 0.00 0.00 53.44 54.62 1xls n ALA 149 Cb 0.34 -0.63 0.25 0.00 0.00 0.00 0.00 19.45 19.41 1xls n ALA 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1xls h TYR 150 N 0.00 0.48 0.00 0.00 -0.00 -1.98 -1.38 116.97 114.10 1xls h TYR 150 Ca 0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 59.24 1xls h TYR 150 Cb 0.77 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.42 1xls h TYR 150 CO -0.65 -0.06 0.49 1.28 -0.00 0.00 0.00 178.16 179.22 1xls n LEU 151 N -5.09 0.06 0.06 0.10 4.32 -0.55 0.12 117.00 116.01 1xls n LEU 151 Ca 0.18 0.23 0.12 0.00 -0.02 0.00 0.00 56.01 56.52 1xls n LEU 151 Cb 0.56 -0.14 0.21 0.00 -1.62 0.00 0.00 43.42 42.43 1xls n LEU 151 CO 0.13 -0.25 0.42 0.49 -1.22 0.00 0.00 177.39 176.96 1xls n PHE 152 N -1.47 0.54 -2.64 -1.77 3.01 -0.52 -1.23 117.46 113.38 1xls n PHE 152 Ca -0.00 0.16 -0.21 0.00 1.01 0.00 0.00 57.45 58.40 1xls n PHE 152 Cb 0.49 -0.65 0.05 0.00 -0.01 0.00 0.00 39.48 39.36 1xls n PHE 152 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xls s MET 153 N -3.14 2.43 0.00 -1.08 -1.94 0.32 -4.86 119.30 111.02 1xls s MET 153 Ca 0.07 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 1xls s MET 153 Cb 0.14 -2.48 -0.01 0.00 2.01 0.00 0.00 34.83 34.49 1xls s MET 153 CO 0.70 -0.81 0.38 0.72 -0.01 0.00 0.00 175.02 176.01 1xls n HIS 154 N -2.40 0.00 -3.70 -0.03 8.25 -1.26 -4.57 115.22 111.51 1xls n HIS 154 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.39 1xls n HIS 154 Cb 0.60 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 1xls n HIS 154 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xls s HIS 155 N -0.94 -0.08 0.00 4.41 3.76 -1.26 -5.16 115.29 116.03 1xls s HIS 155 Ca 0.03 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 1xls s HIS 155 Cb 0.03 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1xls s HIS 155 CO 0.12 -0.19 0.00 0.54 -0.85 0.00 0.00 174.74 174.35 1xls n ARG 156 N 4.86 0.00 -1.85 1.40 3.00 -1.26 -5.09 116.66 117.71 1xls n ARG 156 Ca -0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.41 1xls n ARG 156 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.08 1xls n ARG 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xls s PRO 157 N 0.30 1.57 0.35 5.56 0.04 -1.26 -5.18 135.00 136.38 1xls s PRO 157 Ca 0.00 0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.16 1xls s PRO 157 Cb 0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 1xls s PRO 157 CO 0.00 -1.85 -0.04 0.12 0.04 0.00 0.00 177.00 175.26 1xls s PHE 158 N -3.60 2.47 -0.15 0.56 5.36 -1.26 -5.11 117.98 116.25 1xls s PHE 158 Ca 0.65 -0.49 -0.29 0.00 -0.96 0.00 0.00 56.93 55.83 1xls s PHE 158 Cb -0.10 -1.46 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 1xls s PHE 158 CO 0.50 0.53 1.16 -0.65 -1.46 0.00 0.00 175.22 175.31 1xls s GLN 159 N -3.66 4.29 0.51 10.12 -1.52 -1.26 -4.92 119.66 123.21 1xls s GLN 159 Ca 0.34 1.56 0.34 0.00 -1.95 0.00 0.00 55.36 55.65 1xls s GLN 159 Cb 0.02 -3.66 1.79 0.00 -0.22 0.00 0.00 33.01 30.94 1xls s GLN 159 CO 0.18 -0.58 2.04 -1.00 -0.25 0.00 0.00 175.29 175.68 1xls h PRO 160 N 7.71 0.00 -0.00 2.91 0.13 -2.04 -1.10 132.00 139.61 1xls h PRO 160 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xls h PRO 160 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xls h PRO 160 CO 0.94 0.00 -0.25 -2.13 -0.23 0.00 0.00 178.00 176.33 1xls n ARG 161 N -2.73 4.75 -1.68 0.86 3.00 -1.26 -5.03 116.66 114.58 1xls n ARG 161 Ca -0.02 -0.06 -0.59 0.00 -0.00 0.00 0.00 57.85 57.18 1xls n ARG 161 Cb 0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 32.46 31.68 1xls n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xls n GLY 162 N 1.08 0.49 3.69 5.14 0.00 -0.42 -4.72 105.19 110.45 1xls n GLY 162 Ca 0.01 0.89 -0.65 0.00 0.00 0.00 0.00 46.02 46.27 1xls n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xls n PRO 163 N 4.07 0.09 0.03 1.61 -0.04 -1.26 -4.84 135.00 134.67 1xls n PRO 163 Ca 0.25 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.69 1xls n PRO 163 Cb 0.09 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.89 1xls n PRO 163 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1xls h VAL 164 N 4.59 1.16 -0.91 0.52 3.04 -1.91 -3.37 116.25 119.36 1xls h VAL 164 Ca -0.46 -2.86 0.25 0.00 -1.01 0.00 0.00 66.70 62.62 1xls h VAL 164 Cb 1.38 2.55 -0.16 0.00 -2.01 0.00 0.00 31.29 33.04 1xls h VAL 164 CO 0.91 0.66 0.08 0.25 -1.01 0.00 0.00 177.57 178.46 1xls h LEU 165 N 0.00 -0.32 -0.10 3.16 5.85 -1.94 -0.75 115.31 121.20 1xls h LEU 165 Ca -0.13 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xls h LEU 165 Cb 1.80 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 43.22 1xls h LEU 165 CO 0.09 -0.27 0.02 -0.65 -0.34 0.00 0.00 178.44 177.29 1xls h PRO 166 N 0.07 0.06 -0.26 5.25 0.11 -1.98 -0.74 132.00 134.52 1xls h PRO 166 Ca 0.55 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.66 1xls h PRO 166 Cb 1.12 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1xls h PRO 166 CO -0.80 0.04 0.16 1.25 -0.21 0.00 0.00 178.00 178.43 1xls h LEU 167 N 0.06 0.31 -0.06 2.35 5.85 -1.41 0.05 115.31 122.46 1xls h LEU 167 Ca 0.05 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1xls h LEU 167 Cb 0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xls h LEU 167 CO -0.06 0.26 -0.03 0.25 -0.34 0.00 0.00 178.44 178.52 1xls h LEU 168 N 0.32 -0.10 -0.90 2.25 6.46 -1.21 -0.20 115.31 121.93 1xls h LEU 168 Ca 0.09 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.04 1xls h LEU 168 Cb 0.01 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 39.90 1xls h LEU 168 CO -0.02 -0.04 0.49 0.74 -0.62 0.00 0.00 178.44 178.99 1xls h THR 169 N -0.03 0.72 -0.13 1.05 2.02 -0.81 0.24 112.91 115.97 1xls h THR 169 Ca 0.03 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1xls h THR 169 Cb 0.08 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1xls h THR 169 CO -0.07 0.12 0.05 -0.74 0.37 0.00 0.00 175.52 175.24 1xls h HIS 170 N 0.68 0.20 -0.97 3.16 -0.00 -0.06 0.14 115.15 118.30 1xls h HIS 170 Ca 0.50 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.94 1xls h HIS 170 Cb 0.72 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 28.00 1xls h HIS 170 CO -0.07 0.31 0.61 0.74 -0.00 0.00 0.00 177.93 179.53 1xls h PHE 171 N 0.04 1.13 -0.34 5.26 0.04 0.73 -0.15 116.94 123.65 1xls h PHE 171 Ca 0.04 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 1xls h PHE 171 Cb 0.20 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1xls h PHE 171 CO -0.01 0.52 -0.37 0.00 -0.60 0.00 0.00 178.31 177.86 1xls h ALA 172 N 1.48 0.71 -0.25 2.45 0.00 -0.76 -2.82 119.26 120.06 1xls h ALA 172 Ca 0.45 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xls h ALA 172 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xls h ALA 172 CO -0.21 0.66 0.02 -0.44 0.00 0.00 0.00 179.25 179.28 1xls h ASP 173 N 0.65 0.41 0.12 0.00 3.45 0.45 -2.05 116.42 119.46 1xls h ASP 173 Ca 0.06 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 1xls h ASP 173 Cb 0.92 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.57 1xls h ASP 173 CO 0.08 0.60 -0.19 0.16 -1.57 0.00 0.00 179.24 178.32 1xls h ILE 174 N 0.22 1.18 -0.19 0.35 3.07 -1.12 -1.73 117.51 119.29 1xls h ILE 174 Ca 0.07 -0.83 -0.18 0.00 1.55 0.00 0.00 64.86 65.47 1xls h ILE 174 Cb 0.37 1.33 0.01 0.00 -0.27 0.00 0.00 36.82 38.25 1xls h ILE 174 CO 0.01 0.25 -0.61 0.78 -1.05 0.00 0.00 178.15 177.53 1xls h ASN 175 N 0.13 0.85 0.04 2.16 4.21 -1.32 0.16 115.58 121.82 1xls h ASN 175 Ca 0.03 -0.59 -0.00 0.00 1.21 0.00 0.00 56.30 56.94 1xls h ASN 175 Cb 0.41 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1xls h ASN 175 CO 0.03 1.30 -0.02 0.74 -1.29 0.00 0.00 177.43 178.18 1xls h THR 176 N 0.45 0.95 -0.52 2.81 2.02 -1.22 0.14 112.91 117.54 1xls h THR 176 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1xls h THR 176 Cb 1.23 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1xls h THR 176 CO 0.13 0.00 0.14 0.15 0.37 0.00 0.00 175.52 176.31 1xls h PHE 177 N -0.06 0.24 -0.36 3.16 3.57 -1.22 0.13 116.94 122.40 1xls h PHE 177 Ca -0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1xls h PHE 177 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1xls h PHE 177 CO -0.08 0.04 -0.13 0.52 -2.23 0.00 0.00 178.31 176.43 1xls h MET 178 N 0.30 0.63 -0.27 1.11 2.86 -0.13 -1.33 114.93 118.09 1xls h MET 178 Ca 0.26 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1xls h MET 178 Cb 0.33 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xls h MET 178 CO -0.31 0.74 -0.30 0.28 1.06 0.00 0.00 176.91 178.38 1xls h VAL 179 N 0.57 1.31 0.00 -2.22 2.07 0.20 -0.58 116.25 117.60 1xls h VAL 179 Ca 0.10 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1xls h VAL 179 Cb 0.55 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1xls h VAL 179 CO 0.03 0.47 -0.32 0.06 0.02 0.00 0.00 177.57 177.83 1xls h GLN 180 N 0.41 0.00 -0.06 1.57 3.07 -0.86 -0.53 115.11 118.70 1xls h GLN 180 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.61 1xls h GLN 180 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.42 1xls h GLN 180 CO 0.07 0.32 -0.71 1.96 0.09 0.00 0.00 178.83 180.56 1xls h GLN 181 N 0.00 0.30 0.00 0.06 1.08 -1.09 -2.39 115.11 113.08 1xls h GLN 181 Ca -0.00 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.86 1xls h GLN 181 Cb 0.67 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 1xls h GLN 181 CO 0.04 0.89 -0.44 0.82 -0.95 0.00 0.00 178.83 179.19 1xls h ILE 182 N 0.21 1.19 0.29 2.54 2.04 -0.17 -1.75 117.51 121.86 1xls h ILE 182 Ca -0.02 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1xls h ILE 182 Cb 1.27 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1xls h ILE 182 CO 0.11 0.43 -0.14 0.40 0.00 0.00 0.00 178.15 178.96 1xls h ILE 183 N 0.00 0.45 -1.22 -0.67 2.04 -0.95 -2.03 117.51 115.12 1xls h ILE 183 Ca -0.00 -0.83 0.36 0.00 1.00 0.00 0.00 64.86 65.39 1xls h ILE 183 Cb 0.85 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 1xls h ILE 183 CO 0.06 0.11 0.81 0.11 0.00 0.00 0.00 178.15 179.24 1xls h LYS 184 N -0.98 0.18 0.29 2.37 1.57 -1.40 0.76 116.57 119.36 1xls h LYS 184 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xls h LYS 184 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xls h LYS 184 CO 0.07 0.12 -0.14 0.35 -0.57 0.00 0.00 179.45 179.28 1xls h PHE 185 N 0.19 -0.37 0.00 -1.35 3.57 -1.06 -2.90 116.94 115.02 1xls h PHE 185 Ca 0.69 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.16 1xls h PHE 185 Cb 2.16 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 41.02 1xls h PHE 185 CO -0.00 -0.18 -0.12 1.79 -2.23 0.00 0.00 178.31 177.56 1xls h THR 186 N -0.46 0.84 0.00 4.41 1.35 0.12 -2.41 112.91 116.76 1xls h THR 186 Ca -0.04 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1xls h THR 186 Cb 0.35 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1xls h THR 186 CO 0.07 0.12 -0.15 0.11 -0.25 0.00 0.00 175.52 175.42 1xls h LYS 187 N 0.00 0.00 -0.46 4.72 1.79 -0.96 -1.78 116.57 119.89 1xls h LYS 187 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xls h LYS 187 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1xls h LYS 187 CO 0.02 0.15 0.00 -0.25 -1.08 0.00 0.00 179.45 178.28 1xls n ASP 188 N -3.60 1.61 -4.04 0.86 9.92 -0.91 -4.61 116.55 115.79 1xls n ASP 188 Ca -0.01 -2.10 -0.32 0.00 -0.53 0.00 0.00 54.79 51.82 1xls n ASP 188 Cb 0.28 -0.29 -0.14 0.00 -0.64 0.00 0.00 41.12 40.33 1xls n ASP 188 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xls s LEU 189 N -0.93 4.84 0.24 0.64 1.43 -0.67 -4.84 118.68 119.40 1xls s LEU 189 Ca 0.15 -2.35 -0.08 0.00 -1.03 0.00 0.00 54.13 50.82 1xls s LEU 189 Cb 0.09 -1.70 0.41 0.00 0.03 0.00 0.00 46.19 45.03 1xls s LEU 189 CO 0.08 -0.39 1.63 -0.65 0.23 0.00 0.00 176.35 177.24 1xls h PRO 190 N 7.46 0.07 -0.85 1.29 0.11 -1.84 0.56 132.00 138.79 1xls h PRO 190 Ca -0.07 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.21 1xls h PRO 190 Cb 1.00 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 1xls h PRO 190 CO 0.61 0.05 0.56 -0.07 -0.21 0.00 0.00 178.00 178.94 1xls h LEU 191 N 0.07 0.46 0.04 2.35 3.38 -1.94 -0.78 115.31 118.89 1xls h LEU 191 Ca 0.40 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1xls h LEU 191 Cb 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xls h LEU 191 CO -0.70 0.21 -0.02 0.15 0.09 0.00 0.00 178.44 178.17 1xls h PHE 192 N 0.47 -0.05 0.00 1.13 3.57 -0.20 -3.31 116.94 118.55 1xls h PHE 192 Ca 0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1xls h PHE 192 Cb 0.97 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1xls h PHE 192 CO -0.00 -0.03 0.07 0.54 -2.23 0.00 0.00 178.31 176.66 1xls n ARG 193 N -2.80 0.00 -0.15 1.11 5.12 -0.58 -0.49 116.66 118.86 1xls n ARG 193 Ca -0.01 0.22 0.05 0.00 -1.93 0.00 0.00 57.85 56.19 1xls n ARG 193 Cb 0.02 -1.57 0.14 0.00 -1.16 0.00 0.00 32.46 29.89 1xls n ARG 193 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xls n SER 194 N -1.17 1.62 -4.87 0.55 2.88 -0.31 -4.89 113.62 107.43 1xls n SER 194 Ca 0.00 -1.99 -0.21 0.00 -1.33 0.00 0.00 58.87 55.34 1xls n SER 194 Cb 0.07 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 1xls n SER 194 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xls s LEU 195 N -1.02 3.51 0.45 2.46 1.43 0.36 -5.06 118.68 120.81 1xls s LEU 195 Ca 0.21 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 1xls s LEU 195 Cb 0.11 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 1xls s LEU 195 CO 0.14 -0.50 0.90 0.41 0.23 0.00 0.00 176.35 177.53 1xls n THR 196 N -1.47 2.47 -0.09 5.49 -1.04 -1.26 -4.73 114.28 113.65 1xls n THR 196 Ca 0.01 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.44 1xls n THR 196 Cb 0.61 -1.02 -0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1xls n THR 196 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1xls h MET 197 N 1.22 0.31 0.00 -2.82 4.05 -1.97 -0.00 114.93 115.72 1xls h MET 197 Ca -0.44 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 58.94 1xls h MET 197 Cb 1.35 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1xls h MET 197 CO 0.55 0.20 -0.09 1.05 0.23 0.00 0.00 176.91 178.85 1xls h GLU 198 N 0.32 0.00 -0.13 0.39 4.11 -2.00 -2.24 114.58 115.03 1xls h GLU 198 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.41 1xls h GLU 198 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xls h GLU 198 CO -0.09 0.09 -0.48 -0.44 0.07 0.00 0.00 179.01 178.16 1xls h ASP 199 N 0.00 0.65 -0.13 3.06 3.45 -1.45 -2.75 116.42 119.26 1xls h ASP 199 Ca -0.00 -0.61 -0.00 0.00 0.43 0.00 0.00 57.03 56.84 1xls h ASP 199 Cb 0.40 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1xls h ASP 199 CO 0.01 1.16 0.08 1.56 -1.57 0.00 0.00 179.24 180.47 1xls h GLN 200 N 0.19 0.19 0.28 3.56 4.20 -0.49 -2.02 115.11 121.03 1xls h GLN 200 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1xls h GLN 200 Cb 1.11 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1xls h GLN 200 CO 0.10 0.14 -0.14 0.82 -0.67 0.00 0.00 178.83 179.09 1xls h ILE 201 N 0.19 0.74 -0.41 2.54 1.08 -1.36 -1.80 117.51 118.49 1xls h ILE 201 Ca 0.05 -0.60 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 1xls h ILE 201 Cb 0.01 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1xls h ILE 201 CO -0.01 0.12 0.29 0.28 -0.69 0.00 0.00 178.15 178.14 1xls h SER 202 N -0.72 0.12 0.63 1.72 0.02 -1.16 0.28 113.55 114.44 1xls h SER 202 Ca -0.04 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.64 1xls h SER 202 Cb 0.49 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1xls h SER 202 CO 0.06 0.07 -1.28 -0.07 -1.14 0.00 0.00 176.83 174.48 1xls h LEU 203 N 0.13 0.39 0.23 5.07 3.38 -1.34 -2.43 115.31 120.74 1xls h LEU 203 Ca 0.19 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xls h LEU 203 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xls h LEU 203 CO -0.02 1.34 -0.11 0.25 0.09 0.00 0.00 178.44 179.99 1xls h LEU 204 N 0.07 -0.26 -1.65 1.67 5.85 -0.40 0.04 115.31 120.63 1xls h LEU 204 Ca -0.15 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.47 1xls h LEU 204 Cb 1.97 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 43.02 1xls h LEU 204 CO 0.19 0.18 0.49 0.11 -0.34 0.00 0.00 178.44 179.08 1xls h LYS 205 N -0.77 0.33 0.00 1.25 1.57 -0.60 0.45 116.57 118.80 1xls h LYS 205 Ca -0.03 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1xls h LYS 205 Cb 0.51 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1xls h LYS 205 CO 0.05 0.22 -0.86 0.78 -0.57 0.00 0.00 179.45 179.07 1xls h GLY 206 N 0.34 0.00 0.00 3.86 0.00 -1.23 -3.41 103.07 102.63 1xls h GLY 206 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1xls h GLY 206 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.44 1xls n ALA 207 N -2.30 1.32 0.08 3.60 0.00 -0.02 -4.76 120.51 118.43 1xls n ALA 207 Ca -0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1xls n ALA 207 Cb 0.80 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.19 1xls n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xls h ALA 208 N 0.00 -0.53 -0.73 0.00 0.00 -0.33 0.18 119.26 117.85 1xls h ALA 208 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xls h ALA 208 Cb 0.40 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1xls h ALA 208 CO 0.00 -0.87 0.47 0.28 0.00 0.00 0.00 179.25 179.13 1xls h VAL 209 N -0.52 1.14 -0.78 0.00 2.07 -1.88 -0.98 116.25 115.30 1xls h VAL 209 Ca 0.05 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xls h VAL 209 Cb 0.58 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1xls h VAL 209 CO -0.25 0.17 0.50 -0.33 0.02 0.00 0.00 177.57 177.68 1xls h GLU 210 N 0.93 1.04 -0.41 1.57 5.08 -1.70 -1.69 114.58 119.39 1xls h GLU 210 Ca 0.28 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1xls h GLU 210 Cb -0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1xls h GLU 210 CO -0.09 0.70 -0.14 0.82 -1.00 0.00 0.00 179.01 179.30 1xls h ILE 211 N 1.06 1.26 -0.15 3.13 2.04 -0.29 -2.75 117.51 121.80 1xls h ILE 211 Ca 0.28 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1xls h ILE 211 Cb -0.09 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1xls h ILE 211 CO -0.06 0.41 -0.10 0.25 0.00 0.00 0.00 178.15 178.65 1xls h LEU 212 N 0.68 -0.32 -0.66 1.44 6.46 -0.30 -1.22 115.31 121.39 1xls h LEU 212 Ca 0.11 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1xls h LEU 212 Cb 0.62 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1xls h LEU 212 CO 0.04 -0.13 -0.12 0.45 -0.62 0.00 0.00 178.44 178.06 1xls h HIS 213 N -0.10 1.02 -0.43 1.25 3.86 -1.33 0.66 115.15 120.08 1xls h HIS 213 Ca 0.09 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1xls h HIS 213 Cb 0.24 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1xls h HIS 213 CO -0.24 0.97 0.23 0.82 0.86 0.00 0.00 177.93 180.58 1xls h ILE 214 N 0.82 1.14 0.20 2.45 2.04 -1.17 -0.54 117.51 122.44 1xls h ILE 214 Ca 0.13 -0.35 -0.32 0.00 1.00 0.00 0.00 64.86 65.32 1xls h ILE 214 Cb 0.66 0.56 0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1xls h ILE 214 CO 0.05 0.15 -1.53 0.77 0.00 0.00 0.00 178.15 177.58 1xls h SER 215 N 0.60 0.65 -0.01 1.72 4.64 -0.79 -3.31 113.55 117.04 1xls h SER 215 Ca 0.15 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1xls h SER 215 Cb 0.02 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1xls h SER 215 CO -0.03 1.71 0.01 0.25 -0.87 0.00 0.00 176.83 177.90 1xls h LEU 216 N 0.02 0.00 -2.00 5.97 5.85 0.65 -2.79 115.31 123.01 1xls h LEU 216 Ca -0.29 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.54 1xls h LEU 216 Cb 2.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 1xls h LEU 216 CO 0.19 0.00 0.42 -1.13 -0.34 0.00 0.00 178.44 177.59 1xls h ASN 217 N 0.00 0.00 0.57 1.25 -0.00 -1.19 -1.22 115.58 114.99 1xls h ASN 217 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1xls h ASN 217 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 1xls h ASN 217 CO -0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.43 177.78 1xls n THR 218 N -3.77 0.87 0.89 -3.57 -2.24 -1.05 -1.92 114.28 103.48 1xls n THR 218 Ca 0.07 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 1xls n THR 218 Cb 0.60 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.43 1xls n THR 218 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xls n THR 219 N -2.27 0.00 -2.37 4.28 -2.24 -0.46 -4.94 114.28 106.28 1xls n THR 219 Ca 0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1xls n THR 219 Cb 0.19 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1xls n THR 219 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xls s PHE 220 N -3.06 3.42 -0.17 4.78 5.36 -0.81 -0.37 117.98 127.14 1xls s PHE 220 Ca 0.06 1.39 -0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1xls s PHE 220 Cb 0.16 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1xls s PHE 220 CO 0.86 -1.26 -0.14 0.00 -1.46 0.00 0.00 175.22 173.22 1xls h LEU 222 N 7.62 0.46 -2.00 0.00 3.38 -1.95 1.58 115.31 124.39 1xls h LEU 222 Ca -0.38 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.50 1xls h LEU 222 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1xls h LEU 222 CO 0.59 0.57 0.33 -0.61 0.09 0.00 0.00 178.44 179.42 1xls h GLN 223 N 0.33 0.00 0.00 1.13 4.15 -1.98 -3.12 115.11 115.62 1xls h GLN 223 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1xls h GLN 223 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1xls h GLN 223 CO 0.00 0.00 -0.19 0.25 -1.93 0.00 0.00 178.83 176.96 1xls n THR 224 N -4.39 0.00 -1.87 2.39 -2.24 -1.15 -5.00 114.28 102.02 1xls n THR 224 Ca 0.08 -0.40 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 1xls n THR 224 Cb 0.54 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1xls n THR 224 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xls n GLU 225 N -1.10 -1.38 -4.04 -0.78 1.02 0.54 -4.97 120.64 109.94 1xls n GLU 225 Ca 0.00 1.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.95 1xls n GLU 225 Cb 0.00 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 25.93 1xls n GLU 225 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xls s ASN 226 N -2.54 5.85 -0.25 1.62 0.02 -1.15 -4.70 114.94 113.80 1xls s ASN 226 Ca 0.00 -0.04 -0.11 0.00 -1.02 0.00 0.00 52.86 51.69 1xls s ASN 226 Cb 0.00 -1.62 -0.05 0.00 0.02 0.00 0.00 41.25 39.60 1xls s ASN 226 CO 0.00 0.02 0.18 -0.36 0.02 0.00 0.00 177.10 176.96 1xls s PHE 227 N -1.85 3.29 -0.41 2.20 0.40 0.72 -0.94 117.98 121.38 1xls s PHE 227 Ca 0.33 0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.80 1xls s PHE 227 Cb -0.10 -2.31 0.10 0.00 0.51 0.00 0.00 43.02 41.21 1xls s PHE 227 CO 0.26 -0.01 0.23 -0.06 0.70 0.00 0.00 175.22 176.33 1xls s PHE 228 N 1.30 3.45 -0.38 0.36 0.40 0.51 -0.32 117.98 123.28 1xls s PHE 228 Ca 0.08 -1.99 -0.00 0.00 -0.60 0.00 0.00 56.93 54.42 1xls s PHE 228 Cb -0.14 -3.08 0.11 0.00 0.51 0.00 0.00 43.02 40.42 1xls s PHE 228 CO 0.07 -0.92 0.14 0.00 0.70 0.00 0.00 175.22 175.21 1xls n GLY 230 N 4.46 2.96 0.04 0.00 0.00 -1.26 -1.67 105.19 109.72 1xls n GLY 230 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1xls n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xls n PRO 231 N 13.92 0.05 -3.33 1.61 -0.02 -1.26 -4.78 135.00 141.19 1xls n PRO 231 Ca 0.00 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 1xls n PRO 231 Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1xls n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xls s LEU 232 N -3.45 4.06 -0.26 2.45 1.43 -0.67 -4.54 118.68 117.70 1xls s LEU 232 Ca 0.03 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1xls s LEU 232 Cb 0.06 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.82 1xls s LEU 232 CO 0.21 -0.19 0.09 0.00 0.23 0.00 0.00 176.35 176.68 1xls s TYR 234 N 1.87 3.25 0.38 0.00 1.51 0.56 -4.82 117.35 120.09 1xls s TYR 234 Ca 0.06 0.65 0.07 0.00 -1.01 0.00 0.00 57.07 56.84 1xls s TYR 234 Cb -0.17 -2.85 0.00 0.00 -0.11 0.00 0.00 41.96 38.83 1xls s TYR 234 CO -0.23 -0.37 0.52 0.15 -1.11 0.00 0.00 175.55 174.51 1xls s LYS 235 N 2.47 2.96 0.22 -0.62 1.02 -1.26 -0.20 119.74 124.32 1xls s LYS 235 Ca 0.24 -1.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 1xls s LYS 235 Cb -0.15 -2.78 0.21 0.00 -0.52 0.00 0.00 37.83 34.58 1xls s LYS 235 CO 0.10 -0.11 1.63 0.52 -0.92 0.00 0.00 175.35 176.57 1xls h MET 236 N 0.77 0.72 -0.43 1.68 2.86 -1.97 -3.15 114.93 115.41 1xls h MET 236 Ca -0.43 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 56.99 1xls h MET 236 Cb 1.27 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.81 1xls h MET 236 CO 0.49 0.90 -0.42 0.93 1.06 0.00 0.00 176.91 179.87 1xls h GLU 237 N 0.62 -0.29 -0.95 1.72 3.07 -1.99 -1.08 114.58 115.68 1xls h GLU 237 Ca 0.08 0.02 0.27 0.00 -0.50 0.00 0.00 59.36 59.23 1xls h GLU 237 Cb 0.76 0.07 -0.17 0.00 -0.84 0.00 0.00 28.75 28.57 1xls h GLU 237 CO 0.06 -0.19 0.12 -0.44 -1.40 0.00 0.00 179.01 177.16 1xls h ASP 238 N -0.30 -0.28 -0.31 1.42 3.32 -1.96 0.40 116.42 118.70 1xls h ASP 238 Ca 0.15 0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 1xls h ASP 238 Cb 0.58 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1xls h ASP 238 CO -0.59 -0.31 0.07 0.00 -1.72 0.00 0.00 179.24 176.70 1xls h ALA 239 N 1.92 0.41 -0.36 3.45 0.00 -1.31 0.24 119.26 123.62 1xls h ALA 239 Ca 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1xls h ALA 239 Cb 1.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xls h ALA 239 CO -0.83 0.08 0.12 -0.39 0.00 0.00 0.00 179.25 178.23 1xls h VAL 240 N 0.34 1.21 -0.25 0.00 -1.51 -0.27 -1.83 116.25 113.94 1xls h VAL 240 Ca 0.10 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1xls h VAL 240 Cb 0.31 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1xls h VAL 240 CO 0.00 0.23 0.11 -0.74 -1.23 0.00 0.00 177.57 175.94 1xls h HIS 241 N 0.43 0.33 0.00 5.19 6.17 -0.27 0.12 115.15 127.13 1xls h HIS 241 Ca 0.12 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 1xls h HIS 241 Cb 0.24 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 1xls h HIS 241 CO 0.01 0.26 -0.10 0.00 0.71 0.00 0.00 177.93 178.81 1xls h ALA 242 N 1.78 1.04 0.00 5.26 0.00 0.29 -3.47 119.26 124.16 1xls h ALA 242 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xls h ALA 242 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xls h ALA 242 CO -0.01 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1xls n GLY 243 N -0.07 1.57 3.77 0.00 0.00 0.43 -4.72 105.19 106.18 1xls n GLY 243 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xls n GLY 243 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xls s PHE 244 N -1.92 2.64 0.33 1.61 0.40 -0.96 -4.97 117.98 115.10 1xls s PHE 244 Ca 0.00 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.59 1xls s PHE 244 Cb 0.00 -3.14 -0.10 0.00 0.51 0.00 0.00 43.02 40.29 1xls s PHE 244 CO 0.00 -1.66 1.39 -0.65 0.70 0.00 0.00 175.22 175.00 1xls s GLN 245 N -4.21 4.27 0.11 0.44 -0.21 -1.26 -4.46 119.66 114.33 1xls s GLN 245 Ca 0.66 2.34 -0.18 0.00 0.02 0.00 0.00 55.36 58.19 1xls s GLN 245 Cb -0.20 -3.05 -0.06 0.00 1.00 0.00 0.00 33.01 30.71 1xls s GLN 245 CO 0.43 -0.34 1.64 -0.92 -2.12 0.00 0.00 175.29 173.99 1xls h TYR 246 N 3.66 0.43 -0.44 0.91 3.20 -1.96 -1.43 116.97 121.34 1xls h TYR 246 Ca -0.49 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.43 1xls h TYR 246 Cb 1.23 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 1xls h TYR 246 CO 0.56 0.44 0.03 0.93 -1.64 0.00 0.00 178.16 178.48 1xls h GLU 247 N 0.29 0.14 -0.15 1.82 4.39 -1.99 0.19 114.58 119.27 1xls h GLU 247 Ca 0.09 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1xls h GLU 247 Cb 0.20 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1xls h GLU 247 CO -0.01 0.09 0.08 0.35 -1.16 0.00 0.00 179.01 178.36 1xls h PHE 248 N 0.14 0.21 -0.78 4.33 3.57 -1.92 -1.55 116.94 120.94 1xls h PHE 248 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1xls h PHE 248 Cb 0.31 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1xls h PHE 248 CO -0.26 0.23 0.40 -0.07 -2.23 0.00 0.00 178.31 176.37 1xls h LEU 249 N 0.13 0.99 -1.07 0.59 -0.00 -0.78 -2.07 115.31 113.11 1xls h LEU 249 Ca 0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1xls h LEU 249 Cb 0.09 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.47 1xls h LEU 249 CO -0.01 0.82 0.19 -0.08 -0.00 0.00 0.00 178.44 179.36 1xls h GLU 250 N 1.10 0.85 0.00 1.13 4.81 -0.30 0.10 114.58 122.28 1xls h GLU 250 Ca 0.27 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1xls h GLU 250 Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xls h GLU 250 CO -0.04 0.73 -0.33 0.66 -0.73 0.00 0.00 179.01 179.30 1xls h SER 251 N 0.83 0.00 0.03 1.04 4.64 -0.63 -1.92 113.55 117.54 1xls h SER 251 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 1xls h SER 251 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1xls h SER 251 CO -0.01 0.33 -0.58 0.40 -0.87 0.00 0.00 176.83 176.11 1xls h ILE 252 N 0.00 1.48 0.00 0.95 2.04 -0.56 -2.50 117.51 118.93 1xls h ILE 252 Ca -0.00 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 1xls h ILE 252 Cb 0.71 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1xls h ILE 252 CO 0.04 0.62 -0.08 0.25 0.00 0.00 0.00 178.15 178.98 1xls h LEU 253 N -0.25 0.00 0.13 1.44 5.85 -0.74 -2.01 115.31 119.72 1xls h LEU 253 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1xls h LEU 253 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1xls h LEU 253 CO 0.11 0.08 -0.06 0.45 -0.34 0.00 0.00 178.44 178.68 1xls h HIS 254 N 0.00 -0.16 -0.45 1.25 3.86 -1.30 -1.15 115.15 117.20 1xls h HIS 254 Ca -0.00 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1xls h HIS 254 Cb 0.18 0.05 -0.09 0.00 1.06 0.00 0.00 27.41 28.62 1xls h HIS 254 CO 0.00 0.24 -0.13 0.35 0.86 0.00 0.00 177.93 179.25 1xls h PHE 255 N -0.62 -0.29 -0.60 2.45 3.57 -0.95 -0.99 116.94 119.52 1xls h PHE 255 Ca -0.02 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1xls h PHE 255 Cb 0.48 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1xls h PHE 255 CO 0.06 -0.21 0.22 0.45 -2.23 0.00 0.00 178.31 176.59 1xls h HIS 256 N -0.02 0.93 -0.85 0.41 3.86 -1.36 -0.37 115.15 117.75 1xls h HIS 256 Ca 0.22 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1xls h HIS 256 Cb 0.36 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1xls h HIS 256 CO -0.41 0.76 0.45 0.87 0.86 0.00 0.00 177.93 180.46 1xls h LYS 257 N 0.83 1.20 0.25 2.45 1.57 -0.73 -0.66 116.57 121.48 1xls h LYS 257 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xls h LYS 257 Cb 0.24 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xls h LYS 257 CO -0.01 0.89 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.73 1xls h ASN 258 N 1.19 -0.28 -1.08 0.86 -0.26 -0.83 -1.74 115.58 113.45 1xls h ASN 258 Ca 0.30 0.01 0.30 0.00 -0.56 0.00 0.00 56.30 56.34 1xls h ASN 258 Cb 0.06 0.07 -0.11 0.00 -1.06 0.00 0.00 38.32 37.28 1xls h ASN 258 CO -0.04 -0.18 0.68 0.25 -1.06 0.00 0.00 177.43 177.07 1xls h LEU 259 N -0.37 0.46 -0.74 1.61 5.85 -1.09 0.64 115.31 121.66 1xls h LEU 259 Ca -0.03 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xls h LEU 259 Cb 0.26 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1xls h LEU 259 CO 0.06 0.02 -0.16 0.50 -0.34 0.00 0.00 178.44 178.52 1xls h LYS 260 N 0.37 0.00 -0.03 1.25 1.63 -1.06 -2.94 116.57 115.79 1xls h LYS 260 Ca 0.65 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 60.31 1xls h LYS 260 Cb 1.65 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.27 1xls h LYS 260 CO -0.38 0.16 -0.62 0.78 -3.45 0.00 0.00 179.45 175.94 1xls h GLY 261 N 2.77 0.12 1.61 5.01 0.00 0.12 -3.01 103.07 109.69 1xls h GLY 261 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1xls h GLY 261 CO 0.02 0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.74 1xls n LEU 262 N -3.83 0.00 -3.97 3.11 4.77 -1.07 -4.90 117.00 111.11 1xls n LEU 262 Ca -0.02 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.91 1xls n LEU 262 Cb 0.62 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1xls n LEU 262 CO 0.43 -0.16 -0.19 1.41 -1.33 0.00 0.00 177.39 177.55 1xls n HIS 263 N -1.30 -1.58 -1.39 -1.77 8.25 -1.14 -4.93 115.22 111.36 1xls n HIS 263 Ca 0.07 0.38 -0.31 0.00 -0.26 0.00 0.00 57.72 57.60 1xls n HIS 263 Cb 0.12 -3.16 0.08 0.00 1.12 0.00 0.00 29.99 28.14 1xls n HIS 263 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xls s LEU 264 N -7.06 3.03 0.22 2.41 1.43 -1.26 -5.06 118.68 112.38 1xls s LEU 264 Ca 0.33 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 1xls s LEU 264 Cb -0.15 -4.47 -0.03 0.00 0.03 0.00 0.00 46.19 41.57 1xls s LEU 264 CO 0.93 -1.82 0.33 -1.10 0.23 0.00 0.00 176.35 174.92 1xls s GLN 265 N -4.97 3.38 0.33 1.70 -0.21 -1.26 -4.93 119.66 113.70 1xls s GLN 265 Ca 0.60 -0.75 0.11 0.00 0.02 0.00 0.00 55.36 55.34 1xls s GLN 265 Cb -0.16 -2.87 0.95 0.00 1.00 0.00 0.00 33.01 31.93 1xls s GLN 265 CO 0.56 0.45 1.71 1.49 -2.12 0.00 0.00 175.29 177.37 1xls h GLU 266 N 1.42 0.49 -0.07 2.91 4.81 -1.99 0.48 114.58 122.62 1xls h GLU 266 Ca -0.51 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 1xls h GLU 266 Cb 1.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1xls h GLU 266 CO 0.63 0.32 -0.48 -1.35 -0.73 0.00 0.00 179.01 177.40 1xls h PRO 267 N 0.50 0.18 0.03 0.92 0.11 -1.99 -2.71 132.00 129.05 1xls h PRO 267 Ca 0.67 -0.10 -0.22 0.00 0.11 0.00 0.00 66.00 66.47 1xls h PRO 267 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 1xls h PRO 267 CO -0.51 0.62 -0.99 0.93 -0.21 0.00 0.00 178.00 177.84 1xls h GLU 268 N 0.15 0.16 0.32 1.05 5.08 -1.36 -1.46 114.58 118.52 1xls h GLU 268 Ca 0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1xls h GLU 268 Cb 0.90 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1xls h GLU 268 CO 0.07 1.03 -0.15 1.88 -1.00 0.00 0.00 179.01 180.83 1xls h TYR 269 N 0.07 -0.40 0.00 4.33 0.05 -1.08 0.64 116.97 120.58 1xls h TYR 269 Ca -0.06 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 1xls h TYR 269 Cb 1.68 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.54 1xls h TYR 269 CO 0.03 -0.10 -0.27 -0.24 -1.05 0.00 0.00 178.16 176.53 1xls h VAL 270 N -0.70 1.03 -0.33 -2.88 3.04 -1.57 -1.14 116.25 113.70 1xls h VAL 270 Ca -0.04 -0.97 -0.15 0.00 -1.01 0.00 0.00 66.70 64.52 1xls h VAL 270 Cb 0.48 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 1xls h VAL 270 CO 0.07 0.26 -0.40 -0.07 -1.01 0.00 0.00 177.57 176.42 1xls h LEU 271 N 0.00 0.85 -0.77 3.16 3.38 -1.10 -1.71 115.31 119.12 1xls h LEU 271 Ca -0.00 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1xls h LEU 271 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xls h LEU 271 CO 0.03 1.14 -0.35 -0.03 0.09 0.00 0.00 178.44 179.32 1xls h MET 272 N 0.65 0.52 -0.06 1.13 4.05 -0.21 -2.44 114.93 118.57 1xls h MET 272 Ca 0.05 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1xls h MET 272 Cb 0.96 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1xls h MET 272 CO 0.09 0.80 0.02 0.00 0.23 0.00 0.00 176.91 178.05 1xls h ALA 273 N 1.18 0.07 0.00 0.39 0.00 -1.02 -2.78 119.26 117.11 1xls h ALA 273 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xls h ALA 273 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1xls h ALA 273 CO 0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 179.25 178.80 1xls h ALA 274 N 0.81 1.56 0.00 0.00 0.00 -1.26 -0.31 119.26 120.07 1xls h ALA 274 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1xls h ALA 274 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xls h ALA 274 CO -0.00 0.25 -0.41 1.15 0.00 0.00 0.00 179.25 180.24 1xls h THR 275 N 0.00 1.19 0.24 0.00 2.02 -1.23 -2.11 112.91 113.02 1xls h THR 275 Ca -0.00 -1.45 -0.34 0.00 0.77 0.00 0.00 66.41 65.39 1xls h THR 275 Cb 0.38 1.81 0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1xls h THR 275 CO 0.03 0.40 -1.49 0.00 0.37 0.00 0.00 175.52 174.83 1xls h ALA 276 N 1.59 -0.12 0.27 6.16 0.00 -1.00 -3.35 119.26 122.81 1xls h ALA 276 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1xls h ALA 276 Cb 0.77 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xls h ALA 276 CO 0.05 0.74 -0.31 1.25 0.00 0.00 0.00 179.25 180.98 1xls h LEU 277 N 0.14 -0.86 -6.69 0.00 6.46 -0.86 -3.27 115.31 110.23 1xls h LEU 277 Ca -0.26 0.08 -0.73 0.00 -0.12 0.00 0.00 57.88 56.85 1xls h LEU 277 Cb 2.16 0.30 -0.12 0.00 -0.73 0.00 0.00 40.66 42.27 1xls h LEU 277 CO 0.26 -0.43 2.23 0.49 -0.62 0.00 0.00 178.44 180.37 1xls n PHE 278 N -5.42 3.62 -4.77 1.25 3.01 -0.82 -4.83 117.46 109.49 1xls n PHE 278 Ca -0.09 -2.94 -0.33 0.00 1.01 0.00 0.00 57.45 55.11 1xls n PHE 278 Cb 0.33 -2.22 -0.16 0.00 -0.01 0.00 0.00 39.48 37.42 1xls n PHE 278 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1xls s SER 279 N 2.17 3.53 0.14 4.37 0.01 -1.23 -4.04 113.70 118.64 1xls s SER 279 Ca 0.44 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 1xls s SER 279 Cb 0.08 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 1xls s SER 279 CO -0.01 0.12 1.54 -0.65 0.41 0.00 0.00 173.24 174.65 1xls h PRO 280 N 7.03 0.87 0.00 12.44 0.11 -1.89 -3.11 132.00 147.44 1xls h PRO 280 Ca -0.28 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1xls h PRO 280 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xls h PRO 280 CO 0.54 0.99 0.00 -0.40 -0.21 0.00 0.00 178.00 178.92 1xls n ASP 281 N -4.25 0.27 -4.67 -2.05 5.75 -1.26 -4.67 116.55 105.67 1xls n ASP 281 Ca -0.01 0.61 -0.48 0.00 -0.01 0.00 0.00 54.79 54.91 1xls n ASP 281 Cb 0.40 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 1xls n ASP 281 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1xls n ARG 282 N -1.85 2.07 -1.51 0.11 3.00 -1.18 -4.89 116.66 112.40 1xls n ARG 282 Ca 0.00 0.75 -0.34 0.00 -0.00 0.00 0.00 57.85 58.26 1xls n ARG 282 Cb 0.06 -2.55 0.08 0.00 0.00 0.00 0.00 32.46 30.05 1xls n ARG 282 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xls s PRO 283 N 2.64 2.27 0.00 -0.14 0.04 -1.26 -3.41 135.00 135.13 1xls s PRO 283 Ca 0.87 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1xls s PRO 283 Cb -0.72 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1xls s PRO 283 CO 0.47 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1xls n GLY 284 N 0.37 3.29 3.72 0.56 0.00 -1.26 -4.80 105.19 107.07 1xls n GLY 284 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1xls n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xls s VAL 285 N -2.18 2.13 0.13 1.61 -7.23 -1.22 -4.87 120.40 108.76 1xls s VAL 285 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1xls s VAL 285 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1xls s VAL 285 CO 0.00 -0.05 0.00 0.35 -0.31 0.00 0.00 175.10 175.09 1xls n THR 286 N -4.01 0.16 -0.73 5.32 -2.24 -1.26 -4.86 114.28 106.67 1xls n THR 286 Ca 0.06 0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.68 1xls n THR 286 Cb 0.58 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1xls n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xls n GLN 287 N -3.08 2.05 0.12 -0.78 1.13 -1.26 -4.57 117.38 110.98 1xls n GLN 287 Ca 0.00 -1.42 -0.13 0.00 -1.94 0.00 0.00 57.00 53.51 1xls n GLN 287 Cb 0.06 -2.43 -0.07 0.00 0.11 0.00 0.00 30.24 27.92 1xls n GLN 287 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xls h ARG 288 N 6.26 -0.27 -0.88 -1.09 2.43 -1.93 0.29 114.38 119.19 1xls h ARG 288 Ca 0.48 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.75 1xls h ARG 288 Cb 0.18 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1xls h ARG 288 CO 1.41 -0.18 0.53 1.49 -1.51 0.00 0.00 179.97 181.72 1xls h GLU 289 N -0.28 0.89 -0.32 0.20 4.81 -1.99 0.75 114.58 118.65 1xls h GLU 289 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xls h GLU 289 Cb 0.25 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1xls h GLU 289 CO -0.01 0.59 0.14 1.49 -0.73 0.00 0.00 179.01 180.50 1xls h GLU 290 N 0.92 0.46 -0.10 1.92 4.81 -1.73 -2.76 114.58 118.10 1xls h GLU 290 Ca 0.41 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 1xls h GLU 290 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xls h GLU 290 CO -0.22 0.44 -0.36 0.82 -0.73 0.00 0.00 179.01 178.96 1xls h ILE 291 N 0.37 1.39 -1.01 2.32 2.04 0.28 -3.20 117.51 119.69 1xls h ILE 291 Ca 0.11 -1.70 0.26 0.00 1.00 0.00 0.00 64.86 64.53 1xls h ILE 291 Cb 0.14 2.19 -0.12 0.00 -0.74 0.00 0.00 36.82 38.28 1xls h ILE 291 CO -0.01 0.50 0.61 -0.78 0.00 0.00 0.00 178.15 178.46 1xls h ASP 292 N -0.01 0.62 -0.38 1.72 -0.00 0.53 0.34 116.42 119.25 1xls h ASP 292 Ca -0.02 0.14 0.04 0.00 -0.00 0.00 0.00 57.03 57.19 1xls h ASP 292 Cb 1.00 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 40.33 1xls h ASP 292 CO 0.08 0.07 0.15 1.56 -0.00 0.00 0.00 179.24 181.09 1xls h GLN 293 N 0.52 0.30 -0.76 0.28 1.08 -1.48 -1.29 115.11 113.76 1xls h GLN 293 Ca 0.65 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.90 1xls h GLN 293 Cb 1.34 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.64 1xls h GLN 293 CO -0.47 0.20 0.45 -0.07 -0.95 0.00 0.00 178.83 177.99 1xls h LEU 294 N 0.31 0.68 0.55 1.46 -0.00 -0.41 -0.75 115.31 117.15 1xls h LEU 294 Ca 0.17 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1xls h LEU 294 Cb 0.13 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1xls h LEU 294 CO -0.16 0.43 -0.26 -0.61 -0.00 0.00 0.00 178.44 177.84 1xls h GLN 295 N 0.82 -0.71 -0.85 1.13 4.15 -0.87 0.20 115.11 118.98 1xls h GLN 295 Ca 0.34 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.97 1xls h GLN 295 Cb 0.20 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1xls h GLN 295 CO -0.19 -0.40 0.56 1.49 -1.93 0.00 0.00 178.83 178.36 1xls h GLU 296 N -0.98 0.54 -0.32 1.69 4.81 -1.14 0.60 114.58 119.78 1xls h GLU 296 Ca -0.07 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 1xls h GLU 296 Cb 0.63 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1xls h GLU 296 CO 0.12 0.36 -0.34 1.49 -0.73 0.00 0.00 179.01 179.90 1xls h GLU 297 N 0.55 0.79 -0.67 1.92 4.81 -1.01 -2.14 114.58 118.84 1xls h GLU 297 Ca 0.43 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1xls h GLU 297 Cb 0.84 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1xls h GLU 297 CO -0.18 1.06 0.20 1.98 -0.73 0.00 0.00 179.01 181.34 1xls h MET 298 N 0.56 1.03 0.42 1.92 4.05 0.28 -2.76 114.93 120.43 1xls h MET 298 Ca 0.05 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 1xls h MET 298 Cb 0.93 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1xls h MET 298 CO 0.08 0.89 -0.20 0.00 0.23 0.00 0.00 176.91 177.91 1xls h ALA 299 N 1.22 -0.56 -0.85 0.39 0.00 0.08 -2.45 119.26 117.09 1xls h ALA 299 Ca 0.22 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1xls h ALA 299 Cb 0.30 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 1xls h ALA 299 CO -0.01 -0.62 -0.33 -0.07 0.00 0.00 0.00 179.25 178.22 1xls h LEU 300 N -0.96 -1.20 -0.69 0.00 3.38 -1.37 0.37 115.31 114.84 1xls h LEU 300 Ca -0.06 0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1xls h LEU 300 Cb 0.56 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1xls h LEU 300 CO 0.09 -0.29 0.40 0.40 0.09 0.00 0.00 178.44 179.13 1xls h ILE 301 N -0.05 0.99 -0.13 1.22 2.04 -1.52 0.29 117.51 120.36 1xls h ILE 301 Ca 0.33 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1xls h ILE 301 Cb 0.60 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1xls h ILE 301 CO -0.88 0.13 0.08 0.25 0.00 0.00 0.00 178.15 177.74 1xls h LEU 302 N 0.74 0.15 0.15 1.44 7.12 0.10 0.01 115.31 125.02 1xls h LEU 302 Ca 0.31 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 1xls h LEU 302 Cb 0.17 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1xls h LEU 302 CO -0.17 0.15 -0.07 -1.13 -0.13 0.00 0.00 178.44 177.08 1xls h ASN 303 N 0.14 -0.17 -0.60 1.25 -0.00 -0.28 -2.29 115.58 113.63 1xls h ASN 303 Ca 0.05 -0.14 0.12 0.00 -0.00 0.00 0.00 56.30 56.33 1xls h ASN 303 Cb 0.02 0.04 -0.10 0.00 -0.00 0.00 0.00 38.32 38.28 1xls h ASN 303 CO -0.01 0.04 -0.02 0.78 -0.00 0.00 0.00 177.43 178.21 1xls h ASN 304 N -0.37 -0.32 -0.66 1.15 4.21 -0.29 0.28 115.58 119.57 1xls h ASN 304 Ca -0.02 0.15 0.04 0.00 1.21 0.00 0.00 56.30 57.68 1xls h ASN 304 Cb 0.29 0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 1xls h ASN 304 CO 0.03 -0.13 0.44 -0.74 -1.29 0.00 0.00 177.43 175.75 1xls h HIS 305 N 0.09 0.75 0.39 1.19 2.76 -0.84 -0.92 115.15 118.57 1xls h HIS 305 Ca 0.31 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 1xls h HIS 305 Cb 0.50 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1xls h HIS 305 CO -0.38 0.43 -0.19 0.82 -1.30 0.00 0.00 177.93 177.31 1xls h ILE 306 N 0.77 0.00 -0.63 6.26 2.04 -0.01 -3.32 117.51 122.62 1xls h ILE 306 Ca 0.27 -0.32 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1xls h ILE 306 Cb 0.11 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.07 1xls h ILE 306 CO -0.08 0.00 -0.23 0.24 0.00 0.00 0.00 178.15 178.08 1xls h MET 307 N -0.84 -0.06 -1.79 2.37 2.86 -0.63 0.95 114.93 117.79 1xls h MET 307 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xls h MET 307 Cb 0.40 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1xls h MET 307 CO 0.09 -0.04 0.00 -0.85 1.06 0.00 0.00 176.91 177.17 1xls n GLU 308 N -5.45 0.54 -2.69 1.72 -0.00 -0.36 -2.44 120.64 111.96 1xls n GLU 308 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.20 1xls n GLU 308 Cb 0.35 -1.23 0.12 0.00 -0.00 0.00 0.00 31.44 30.68 1xls n GLU 308 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1xls n GLN 309 N 1.33 1.38 -0.85 3.44 7.27 0.33 -4.99 117.38 125.29 1xls n GLN 309 Ca 0.00 -1.48 -0.32 0.00 0.07 0.00 0.00 57.00 55.27 1xls n GLN 309 Cb 0.27 0.20 0.03 0.00 2.41 0.00 0.00 30.24 33.15 1xls n GLN 309 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xls n GLN 310 N -1.37 0.00 0.00 3.69 6.02 -1.02 -4.89 117.38 119.81 1xls n GLN 310 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1xls n GLN 310 Cb 0.87 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 31.28 1xls n GLN 310 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xls n SER 311 N 2.98 0.00 -0.60 1.08 3.41 -1.26 -4.75 113.62 114.48 1xls n SER 311 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1xls n SER 311 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1xls n SER 311 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xls n ARG 312 N 0.00 0.00 0.00 4.33 5.12 -1.26 -4.49 116.66 120.36 1xls n ARG 312 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1xls n ARG 312 Cb 0.00 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.25 1xls n ARG 312 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1xls n LEU 313 N -0.60 0.00 0.00 0.55 -0.00 -1.26 -5.09 117.00 110.60 1xls n LEU 313 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xls n LEU 313 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1xls n LEU 313 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xls n GLN 314 N 0.00 0.00 -1.19 1.47 10.64 -1.26 -4.67 117.38 122.36 1xls n GLN 314 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1xls n GLN 314 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1xls n GLN 314 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1xls n SER 315 N -0.04 -5.32 0.00 2.61 3.41 -1.26 -4.35 113.62 108.66 1xls n SER 315 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1xls n SER 315 Cb 0.00 -3.80 0.00 0.00 -0.26 0.00 0.00 64.21 60.15 1xls n SER 315 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xls n ARG 316 N -0.45 0.00 -0.28 4.33 0.00 -1.26 -3.16 116.66 115.84 1xls n ARG 316 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.74 1xls n ARG 316 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.95 1xls n ARG 316 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1xls n PHE 317 N 0.00 0.00 0.01 -0.14 3.72 -1.26 -4.11 117.46 115.69 1xls n PHE 317 Ca 0.00 -0.43 -0.05 0.00 -0.05 0.00 0.00 57.45 56.91 1xls n PHE 317 Cb 0.00 -0.67 0.14 0.00 -0.94 0.00 0.00 39.48 38.01 1xls n PHE 317 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1xls h LEU 318 N 5.22 0.51 -0.40 4.37 7.12 -1.74 -0.22 115.31 130.17 1xls h LEU 318 Ca 0.05 -0.21 -0.18 0.00 0.13 0.00 0.00 57.88 57.66 1xls h LEU 318 Cb 0.44 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1xls h LEU 318 CO 0.32 0.84 -0.78 0.22 -0.13 0.00 0.00 178.44 178.90 1xls h TYR 319 N 0.41 0.35 -0.13 1.25 3.20 -1.92 -2.24 116.97 117.88 1xls h TYR 319 Ca 0.04 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.64 1xls h TYR 319 Cb 0.84 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1xls h TYR 319 CO 0.03 0.93 -0.39 0.00 -1.64 0.00 0.00 178.16 177.09 1xls h ALA 320 N 1.02 1.11 -0.07 1.82 0.00 -1.76 -2.57 119.26 118.80 1xls h ALA 320 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1xls h ALA 320 Cb 1.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1xls h ALA 320 CO 0.12 0.58 -0.54 0.87 0.00 0.00 0.00 179.25 180.28 1xls h LYS 321 N 0.23 0.49 -0.22 0.00 1.57 -0.94 -2.86 116.57 114.83 1xls h LYS 321 Ca 0.02 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1xls h LYS 321 Cb 0.79 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1xls h LYS 321 CO 0.06 1.07 0.03 -0.07 -0.57 0.00 0.00 179.45 179.97 1xls h LEU 322 N 0.05 0.29 -1.18 2.94 3.38 -1.35 0.50 115.31 119.94 1xls h LEU 322 Ca -0.05 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xls h LEU 322 Cb 1.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xls h LEU 322 CO 0.11 0.32 -0.37 0.24 0.09 0.00 0.00 178.44 178.83 1xls h MET 323 N 0.31 0.07 0.65 1.13 2.86 -1.45 0.31 114.93 118.82 1xls h MET 323 Ca 0.08 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1xls h MET 323 Cb 0.17 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1xls h MET 323 CO 0.00 0.43 -0.31 0.78 1.06 0.00 0.00 176.91 178.87 1xls h GLY 324 N 1.14 -0.92 0.28 8.32 0.00 0.08 -2.82 103.07 109.15 1xls h GLY 324 Ca 0.00 0.34 0.19 0.00 0.00 0.00 0.00 47.33 47.87 1xls h GLY 324 CO 0.05 -0.33 0.60 1.41 0.00 0.00 0.00 176.54 178.27 1xls h LEU 325 N -1.11 0.53 -1.62 3.11 3.38 -0.25 0.63 115.31 119.97 1xls h LEU 325 Ca -0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xls h LEU 325 Cb 0.71 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xls h LEU 325 CO 0.15 0.21 -0.08 -0.07 0.09 0.00 0.00 178.44 178.74 1xls h LEU 326 N 0.53 0.00 0.20 1.67 3.38 -0.32 -0.39 115.31 120.37 1xls h LEU 326 Ca 0.50 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.15 1xls h LEU 326 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.83 1xls h LEU 326 CO -0.23 0.08 -1.42 0.00 0.09 0.00 0.00 178.44 176.96 1xls h ALA 327 N 1.92 -0.03 -0.29 1.53 0.00 0.50 -3.01 119.26 119.88 1xls h ALA 327 Ca -0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.90 1xls h ALA 327 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xls h ALA 327 CO 0.01 0.84 -0.27 -0.44 0.00 0.00 0.00 179.25 179.39 1xls h ASP 328 N 0.12 0.59 -0.39 0.00 5.19 -0.73 -2.34 116.42 118.86 1xls h ASP 328 Ca -0.22 -0.21 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1xls h ASP 328 Cb 2.09 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 1xls h ASP 328 CO 0.24 0.84 0.25 -0.07 -3.12 0.00 0.00 179.24 177.38 1xls h LEU 329 N 0.50 0.43 -0.59 1.55 4.07 -1.14 -0.65 115.31 119.47 1xls h LEU 329 Ca 0.07 -0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.12 1xls h LEU 329 Cb 0.73 -0.10 -0.11 0.00 1.08 0.00 0.00 40.66 42.26 1xls h LEU 329 CO 0.06 0.31 -0.36 -0.09 -1.08 0.00 0.00 178.44 177.27 1xls h ARG 330 N 0.51 -0.17 -0.04 1.13 9.65 -1.28 0.61 114.38 124.79 1xls h ARG 330 Ca 0.15 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1xls h ARG 330 Cb -0.04 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1xls h ARG 330 CO -0.04 -0.11 -0.02 0.77 2.80 0.00 0.00 179.97 183.36 1xls h SER 331 N -0.18 -0.06 -0.72 -3.80 0.02 -1.08 -0.40 113.55 107.34 1xls h SER 331 Ca 0.22 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1xls h SER 331 Cb 0.56 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 1xls h SER 331 CO -0.69 -0.02 0.37 0.40 -1.14 0.00 0.00 176.83 175.75 1xls h ILE 332 N -0.01 0.88 -0.36 3.27 2.04 0.33 -1.40 117.51 122.24 1xls h ILE 332 Ca 0.02 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xls h ILE 332 Cb 0.05 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1xls h ILE 332 CO -0.05 0.12 0.06 -1.13 0.00 0.00 0.00 178.15 177.15 1xls h ASN 333 N 0.64 0.58 -0.04 1.72 -0.00 0.49 -2.06 115.58 116.91 1xls h ASN 333 Ca 0.35 -0.26 0.01 0.00 -0.00 0.00 0.00 56.30 56.40 1xls h ASN 333 Cb 0.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.50 1xls h ASN 333 CO -0.25 0.69 0.29 -1.13 -0.00 0.00 0.00 177.43 177.03 1xls h ASN 334 N 0.44 0.00 0.54 1.15 -1.24 -0.01 -0.79 115.58 115.67 1xls h ASN 334 Ca 0.11 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.83 1xls h ASN 334 Cb 0.36 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1xls h ASN 334 CO 0.01 0.00 -1.52 0.00 -1.29 0.00 0.00 177.43 174.62 1xls h ALA 335 N 1.44 0.46 0.04 1.57 0.00 -0.71 -3.38 119.26 118.69 1xls h ALA 335 Ca 0.02 -1.21 0.01 0.00 0.00 0.00 0.00 54.91 53.73 1xls h ALA 335 Cb 0.61 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xls h ALA 335 CO -0.00 1.32 -0.33 1.88 0.00 0.00 0.00 179.25 182.11 1xls h TYR 336 N 0.03 -0.98 -0.71 0.00 0.99 -1.01 0.12 116.97 115.42 1xls h TYR 336 Ca -0.23 0.03 0.21 0.00 2.00 0.00 0.00 58.73 60.74 1xls h TYR 336 Cb 1.97 0.42 -0.03 0.00 1.00 0.00 0.00 36.73 40.09 1xls h TYR 336 CO 0.03 -0.37 0.84 0.66 -0.00 0.00 0.00 178.16 179.32 1xls h SER 337 N -0.45 0.00 0.11 3.88 4.64 -1.75 0.40 113.55 120.38 1xls h SER 337 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1xls h SER 337 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1xls h SER 337 CO -0.20 0.00 -0.74 1.88 -0.87 0.00 0.00 176.83 176.89 1xls h TYR 338 N 0.00 0.41 -0.47 4.77 -1.99 -1.04 -3.34 116.97 115.31 1xls h TYR 338 Ca 0.34 -0.30 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1xls h TYR 338 Cb 2.01 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 40.70 1xls h TYR 338 CO 0.00 1.29 0.19 0.93 -0.00 0.00 0.00 178.16 180.57 1xls h GLU 339 N -0.50 0.70 -0.80 4.88 4.39 0.21 -2.97 114.58 120.48 1xls h GLU 339 Ca -0.14 -0.12 0.19 0.00 0.34 0.00 0.00 59.36 59.63 1xls h GLU 339 Cb 1.53 -0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.94 1xls h GLU 339 CO 0.10 0.63 0.18 -0.07 -1.16 0.00 0.00 179.01 178.69 1xls h LEU 340 N 0.61 -0.04 0.63 1.33 3.38 -1.34 -2.12 115.31 117.76 1xls h LEU 340 Ca 0.16 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1xls h LEU 340 Cb 0.19 0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xls h LEU 340 CO -0.01 -0.10 -0.30 1.56 0.09 0.00 0.00 178.44 179.67 1xls h GLN 341 N 0.23 -0.81 0.00 1.13 4.20 -1.64 -2.90 115.11 115.32 1xls h GLN 341 Ca 0.47 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1xls h GLN 341 Cb 0.87 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1xls h GLN 341 CO -0.59 -0.50 0.00 0.54 -0.67 0.00 0.00 178.83 177.61 1xls n ARG 342 N -5.40 0.00 -0.20 1.46 5.12 -0.81 -2.29 116.66 114.54 1xls n ARG 342 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1xls n ARG 342 Cb 0.36 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1xls n ARG 342 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1xls n LEU 343 N 0.11 0.00 0.00 0.55 7.94 -1.09 -5.05 117.00 119.46 1xls n LEU 343 Ca 0.00 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.49 1xls n LEU 343 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xls n LEU 343 CO 0.00 0.14 0.00 -0.62 -1.11 0.00 0.00 177.39 175.80 1xls n GLU 344 N 0.00 0.00 0.00 1.96 1.02 -0.97 -3.02 120.64 119.63 1xls n GLU 344 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xls n GLU 344 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1xls n GLU 344 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xls n GLU 345 N 0.00 0.00 -0.09 3.49 -0.58 -1.26 -1.34 120.64 120.86 1xls n GLU 345 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1xls n GLU 345 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1xls n GLU 345 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1xls n LEU 346 N -2.70 -0.23 -0.12 -4.62 7.94 -1.17 -1.34 117.00 114.77 1xls n LEU 346 Ca 0.00 0.83 -0.03 0.00 -1.11 0.00 0.00 56.01 55.70 1xls n LEU 346 Cb 0.00 -0.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 1xls n LEU 346 CO 0.00 -0.54 0.31 -1.20 -1.11 0.00 0.00 177.39 174.85 1xls n SER 347 N -3.36 -0.30 -0.17 1.96 7.64 -0.45 0.45 113.62 119.39 1xls n SER 347 Ca 0.00 0.85 -0.02 0.00 1.01 0.00 0.00 58.87 60.72 1xls n SER 347 Cb 0.06 -0.24 0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1xls n SER 347 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xls h ALA 348 N -0.21 0.64 -0.90 -0.43 0.00 -1.34 -2.25 119.26 114.76 1xls h ALA 348 Ca 0.05 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1xls h ALA 348 Cb 0.12 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1xls h ALA 348 CO -0.27 -0.25 0.54 0.52 0.00 0.00 0.00 179.25 179.79 1xls h MET 349 N 0.32 0.83 -3.68 0.00 2.07 0.12 -3.35 114.93 111.24 1xls h MET 349 Ca 0.26 -0.05 -0.60 0.00 -2.07 0.00 0.00 59.70 57.25 1xls h MET 349 Cb 0.32 -0.19 -0.40 0.00 -1.87 0.00 0.00 31.60 29.47 1xls h MET 349 CO -0.29 0.55 -0.75 -0.08 1.07 0.00 0.00 176.91 177.40 1xls s THR 350 N -5.99 1.12 0.09 2.22 -1.32 0.06 -4.92 115.64 106.91 1xls s THR 350 Ca -0.12 -1.63 -0.15 0.00 -1.21 0.00 0.00 61.69 58.59 1xls s THR 350 Cb 0.21 -1.84 -0.11 0.00 -1.51 0.00 0.00 72.50 69.25 1xls s THR 350 CO 0.79 -0.68 1.38 -0.65 -2.21 0.00 0.00 174.62 173.25 1xls h PRO 351 N 7.92 0.71 -0.29 7.08 0.11 -1.69 -3.10 132.00 142.73 1xls h PRO 351 Ca -0.11 -0.43 0.06 0.00 0.11 0.00 0.00 66.00 65.63 1xls h PRO 351 Cb 1.01 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1xls h PRO 351 CO 0.48 1.05 -0.09 1.25 -0.21 0.00 0.00 178.00 180.49 1xls h LEU 352 N 0.43 -0.31 -1.47 2.35 5.85 -1.94 0.20 115.31 120.43 1xls h LEU 352 Ca 0.02 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1xls h LEU 352 Cb 1.00 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1xls h LEU 352 CO 0.09 -0.11 -0.19 0.25 -0.34 0.00 0.00 178.44 178.14 1xls h LEU 353 N -0.02 0.10 -0.97 2.25 6.46 -1.94 0.14 115.31 121.33 1xls h LEU 353 Ca 0.14 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1xls h LEU 353 Cb 0.24 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1xls h LEU 353 CO -0.31 0.30 -0.49 1.23 -0.62 0.00 0.00 178.44 178.55 1xls h GLY 354 N 0.72 0.07 0.27 3.75 0.00 -0.92 -3.01 103.07 103.96 1xls h GLY 354 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xls h GLY 354 CO 0.03 0.06 -0.02 -2.09 0.00 0.00 0.00 176.54 174.52 1xls h GLU 355 N 0.05 -0.05 -0.80 4.80 4.57 0.60 -2.70 114.58 121.04 1xls h GLU 355 Ca -0.00 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.37 1xls h GLU 355 Cb 0.88 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.34 1xls h GLU 355 CO 0.07 0.58 0.03 0.82 -1.18 0.00 0.00 179.01 179.33 1xls h ILE 356 N -0.78 0.30 -0.02 2.32 1.08 -0.97 -2.27 117.51 117.15 1xls h ILE 356 Ca -0.01 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1xls h ILE 356 Cb 0.66 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1xls h ILE 356 CO 0.01 0.02 -0.20 0.00 -0.69 0.00 0.00 178.15 177.29