#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gum h ASP 110 N 0.00 0.22 -5.92 3.42 3.58 -2.02 -3.49 116.42 112.20 2gum h ASP 110 Ca 0.00 -0.73 -0.21 0.00 0.42 0.00 0.00 57.03 56.51 2gum h ASP 110 Cb 0.00 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 40.99 2gum h ASP 110 CO 0.00 1.67 -0.46 0.00 -2.88 0.00 0.00 179.24 177.56 2gum n ALA 111 N -3.20 -2.62 -3.65 -0.78 0.00 -1.26 -5.01 120.51 104.00 2gum n ALA 111 Ca -0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.00 2gum n ALA 111 Cb 0.86 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 2gum n ALA 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2gum s ASN 112 N -3.02 -0.15 0.40 0.00 3.84 -1.26 -4.91 114.94 109.84 2gum s ASN 112 Ca 0.03 0.26 -0.00 0.00 0.21 0.00 0.00 52.86 53.36 2gum s ASN 112 Cb -0.01 0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 41.33 2gum s ASN 112 CO 0.81 -0.04 0.62 -0.36 -2.79 0.00 0.00 177.10 175.34 2gum s PHE 113 N 0.59 3.41 -0.00 0.43 0.40 -0.76 -4.91 117.98 117.14 2gum s PHE 113 Ca -0.01 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2gum s PHE 113 Cb -0.04 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.40 2gum s PHE 113 CO -0.12 -0.10 -0.02 0.71 0.70 0.00 0.00 175.22 176.38 2gum s TYR 114 N -2.46 0.19 -0.20 0.36 1.51 -0.80 -0.49 117.35 115.46 2gum s TYR 114 Ca 0.44 -0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.40 2gum s TYR 114 Cb -0.10 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2gum s TYR 114 CO 0.38 -0.01 0.05 0.08 -1.11 0.00 0.00 175.55 174.94 2gum s VAL 115 N 0.00 4.47 -0.37 0.71 1.01 -0.39 0.59 120.40 126.41 2gum s VAL 115 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2gum s VAL 115 Cb -0.01 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.44 2gum s VAL 115 CO -0.00 0.43 0.10 0.00 0.00 0.00 0.00 175.10 175.63 2gum n PRO 117 N 4.21 0.96 -1.69 0.00 -0.02 -1.26 -4.88 135.00 132.31 2gum n PRO 117 Ca 0.03 0.38 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 2gum n PRO 117 Cb 0.41 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2gum n PRO 117 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2gum n PRO 118 N -1.83 2.28 -2.35 0.52 -0.02 -1.26 -4.79 135.00 127.56 2gum n PRO 118 Ca 0.15 0.82 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 2gum n PRO 118 Cb 0.48 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2gum n PRO 118 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2gum s PRO 119 N -0.02 4.03 0.18 0.52 0.02 -1.26 -4.96 135.00 133.52 2gum s PRO 119 Ca 0.70 1.74 0.10 0.00 0.02 0.00 0.00 61.00 63.55 2gum s PRO 119 Cb -0.61 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2gum s PRO 119 CO 0.45 -0.31 -0.13 0.95 -0.33 0.00 0.00 177.00 177.63 2gum s THR 120 N -1.50 2.98 0.19 0.99 -4.23 -1.26 -4.97 115.64 107.83 2gum s THR 120 Ca 0.58 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.43 2gum s THR 120 Cb -0.28 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.18 2gum s THR 120 CO 0.35 -0.11 1.13 1.23 -0.54 0.00 0.00 174.62 176.67 2gum h GLY 121 N 2.98 0.00 -0.36 3.99 0.00 -1.96 -3.04 103.07 104.67 2gum h GLY 121 Ca -0.47 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.93 2gum h GLY 121 CO 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.95 2gum n ALA 122 N -1.47 0.02 -3.58 3.60 0.00 -1.26 -3.89 120.51 113.94 2gum n ALA 122 Ca -0.01 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 2gum n ALA 122 Cb 0.50 -0.20 -0.16 0.00 0.00 0.00 0.00 19.45 19.58 2gum n ALA 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gum s THR 123 N -5.40 0.79 0.05 0.00 2.01 -1.15 -5.09 115.64 106.86 2gum s THR 123 Ca -0.05 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.74 2gum s THR 123 Cb 0.09 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2gum s THR 123 CO 0.27 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 2gum s VAL 124 N 0.88 1.32 0.10 3.82 1.01 -1.25 -1.20 120.40 125.09 2gum s VAL 124 Ca -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2gum s VAL 124 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2gum s VAL 124 CO 0.01 0.03 -0.03 0.68 0.00 0.00 0.00 175.10 175.79 2gum s VAL 125 N -0.91 0.45 0.08 2.92 -7.23 0.62 -4.96 120.40 111.37 2gum s VAL 125 Ca 0.03 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2gum s VAL 125 Cb -0.09 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2gum s VAL 125 CO 0.02 -0.79 -0.06 0.00 -0.31 0.00 0.00 175.10 173.96 2gum s GLN 126 N -3.91 0.73 0.27 4.82 -2.07 -1.26 -1.55 119.66 116.69 2gum s GLN 126 Ca 0.14 -1.18 -0.20 0.00 -1.82 0.00 0.00 55.36 52.30 2gum s GLN 126 Cb 0.07 -0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 31.74 2gum s GLN 126 CO -0.04 -0.02 0.77 -0.06 -1.32 0.00 0.00 175.29 174.63 2gum s PHE 127 N -3.14 3.58 0.32 9.60 2.99 -1.26 -5.03 117.98 125.04 2gum s PHE 127 Ca 0.06 1.43 -0.29 0.00 0.00 0.00 0.00 56.93 58.13 2gum s PHE 127 Cb 0.02 -2.66 -0.10 0.00 0.00 0.00 0.00 43.02 40.27 2gum s PHE 127 CO -0.04 0.24 1.34 -2.00 -0.00 0.00 0.00 175.22 174.76 2gum s GLU 128 N -2.27 4.32 0.67 0.44 2.12 -1.26 -5.01 118.70 117.72 2gum s GLU 128 Ca 0.48 2.26 -0.07 0.00 0.36 0.00 0.00 54.97 57.99 2gum s GLU 128 Cb -0.15 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.21 2gum s GLU 128 CO 0.20 -0.25 1.00 -0.65 -0.54 0.00 0.00 175.26 175.02 2gum s GLN 129 N -1.60 2.51 0.20 4.30 -1.52 -1.26 -4.98 119.66 117.31 2gum s GLN 129 Ca 0.51 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.57 2gum s GLN 129 Cb -0.41 -2.17 -0.16 0.00 -0.22 0.00 0.00 33.01 30.06 2gum s GLN 129 CO 0.52 -1.06 0.87 -2.30 -0.25 0.00 0.00 175.29 173.07 2gum n PRO 130 N -2.85 0.69 -3.54 2.91 -0.02 -1.26 -4.96 135.00 125.96 2gum n PRO 130 Ca 0.07 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 2gum n PRO 130 Cb 0.59 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 2gum n PRO 130 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gum s ARG 131 N -0.95 3.68 -0.10 -0.52 0.52 -1.26 -5.03 118.95 115.29 2gum s ARG 131 Ca 0.67 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 2gum s ARG 131 Cb -0.87 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 31.82 2gum s ARG 131 CO 0.56 0.38 1.21 0.50 0.02 0.00 0.00 175.30 177.98 2gum s ARG 132 N -2.84 4.31 0.40 3.54 3.52 -1.26 -4.99 118.95 121.63 2gum s ARG 132 Ca 0.44 1.65 -0.19 0.00 -0.13 0.00 0.00 55.73 57.49 2gum s ARG 132 Cb -0.12 -3.63 -0.10 0.00 -1.56 0.00 0.00 34.95 29.54 2gum s ARG 132 CO 0.24 -0.54 0.89 0.00 -0.81 0.00 0.00 175.30 175.08 2gum s PRO 134 N -3.18 0.40 0.19 0.00 0.02 -1.26 -5.03 135.00 126.15 2gum s PRO 134 Ca 0.60 1.20 0.10 0.00 0.02 0.00 0.00 61.00 62.92 2gum s PRO 134 Cb -0.09 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 2gum s PRO 134 CO 0.15 -2.94 -0.16 0.95 -0.33 0.00 0.00 177.00 174.67 2gum s THR 135 N -2.63 2.78 0.09 0.99 -4.23 -1.26 -4.90 115.64 106.48 2gum s THR 135 Ca 0.67 -1.88 -0.31 0.00 -1.18 0.00 0.00 61.69 58.99 2gum s THR 135 Cb -0.23 -2.37 -0.07 0.00 1.34 0.00 0.00 72.50 71.18 2gum s THR 135 CO 0.60 -0.14 1.25 -0.13 -0.54 0.00 0.00 174.62 175.67 2gum s ARG 136 N -2.82 4.41 0.80 3.99 0.52 -1.26 -4.98 118.95 119.61 2gum s ARG 136 Ca 0.23 1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 57.16 2gum s ARG 136 Cb -0.08 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2gum s ARG 136 CO 0.13 -0.28 0.35 -2.30 0.02 0.00 0.00 175.30 173.21 2gum n PRO 137 N 3.72 0.09 -0.09 3.54 -0.02 -1.26 -4.88 135.00 136.11 2gum n PRO 137 Ca 0.09 0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.57 2gum n PRO 137 Cb 0.45 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 2gum n PRO 137 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gum h GLU 138 N -0.75 -0.23 0.00 -0.52 5.08 -2.08 -3.48 114.58 112.60 2gum h GLU 138 Ca -0.45 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2gum h GLU 138 Cb 1.33 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2gum h GLU 138 CO 0.38 -0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 2gum n GLY 139 N -1.40 3.02 3.77 -3.84 0.00 -1.26 -5.06 105.19 100.42 2gum n GLY 139 Ca 0.01 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 2gum n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gum s GLN 140 N -5.34 4.17 -0.25 1.61 -1.52 -1.26 -5.00 119.66 112.06 2gum s GLN 140 Ca 0.00 2.49 -0.13 0.00 -1.95 0.00 0.00 55.36 55.77 2gum s GLN 140 Cb 0.00 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.74 2gum s GLN 140 CO 0.00 -0.48 0.27 -0.80 -0.25 0.00 0.00 175.29 174.03 2gum s ASN 141 N -0.04 6.19 -0.09 5.90 -0.87 -1.26 -5.08 114.94 119.68 2gum s ASN 141 Ca 0.55 0.20 0.02 0.00 -1.57 0.00 0.00 52.86 52.05 2gum s ASN 141 Cb -0.45 -2.16 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 2gum s ASN 141 CO 0.57 -0.06 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.59 2gum s TYR 142 N 1.59 2.76 -0.22 2.20 1.51 -1.26 -4.55 117.35 119.37 2gum s TYR 142 Ca 0.12 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.67 2gum s TYR 142 Cb -0.15 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2gum s TYR 142 CO 0.08 0.02 0.32 0.99 -1.11 0.00 0.00 175.55 175.85 2gum s THR 143 N -0.26 5.25 0.44 -0.71 2.01 0.72 -4.89 115.64 118.21 2gum s THR 143 Ca 0.02 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 2gum s THR 143 Cb -0.13 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 2gum s THR 143 CO 0.03 0.27 1.05 -1.61 -0.69 0.00 0.00 174.62 173.66 2gum s GLU 144 N 1.34 3.97 0.07 4.92 2.02 -1.26 -1.27 118.70 128.49 2gum s GLU 144 Ca 0.15 1.44 -0.27 0.00 0.02 0.00 0.00 54.97 56.30 2gum s GLU 144 Cb -0.14 -2.31 0.09 0.00 0.10 0.00 0.00 34.13 31.86 2gum s GLU 144 CO 0.07 -0.30 1.07 0.20 0.02 0.00 0.00 175.26 176.33 2gum s GLY 145 N -1.77 -0.31 -0.03 -1.39 0.00 -1.05 -1.07 107.32 101.70 2gum s GLY 145 Ca 0.63 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2gum s GLY 145 CO 0.24 0.08 -0.01 -0.42 0.00 0.00 0.00 173.10 172.99 2gum s ILE 146 N -2.96 4.12 0.07 0.90 1.01 -0.57 -1.24 121.20 122.53 2gum s ILE 146 Ca 0.12 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2gum s ILE 146 Cb 0.01 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2gum s ILE 146 CO -0.01 0.45 -0.05 0.00 0.00 0.00 0.00 174.94 175.33 2gum s ALA 147 N -1.01 0.75 -0.04 9.38 0.00 -0.69 -0.76 121.76 129.38 2gum s ALA 147 Ca 0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2gum s ALA 147 Cb -0.11 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2gum s ALA 147 CO 0.07 -0.24 0.02 0.08 0.00 0.00 0.00 175.76 175.69 2gum s VAL 148 N -3.32 0.12 -0.14 0.00 1.01 -0.35 -0.70 120.40 117.02 2gum s VAL 148 Ca 0.06 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2gum s VAL 148 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2gum s VAL 148 CO -0.05 0.18 0.06 -0.69 0.00 0.00 0.00 175.10 174.59 2gum s VAL 149 N 1.64 4.77 0.17 2.92 1.01 0.50 -1.00 120.40 130.42 2gum s VAL 149 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.02 2gum s VAL 149 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2gum s VAL 149 CO -0.03 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 2gum s PHE 150 N -0.36 2.35 0.22 5.22 0.40 0.28 0.40 117.98 126.50 2gum s PHE 150 Ca 0.09 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 2gum s PHE 150 Cb -0.12 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 2gum s PHE 150 CO 0.02 0.45 -0.05 -1.59 0.70 0.00 0.00 175.22 174.75 2gum s LYS 151 N -2.50 1.32 0.24 0.44 -2.85 -0.09 -1.78 119.74 114.52 2gum s LYS 151 Ca 0.19 -1.64 -0.31 0.00 -1.00 0.00 0.00 55.97 53.21 2gum s LYS 151 Cb -0.09 -0.77 -0.12 0.00 -2.06 0.00 0.00 37.83 34.80 2gum s LYS 151 CO 0.09 -0.01 1.68 -1.91 0.10 0.00 0.00 175.35 175.31 2gum n GLU 152 N -0.40 2.76 -2.74 1.78 2.13 -1.26 0.63 120.64 123.54 2gum n GLU 152 Ca -0.06 0.99 -0.42 0.00 0.66 0.00 0.00 57.16 58.33 2gum n GLU 152 Cb 0.63 -2.82 -0.03 0.00 0.27 0.00 0.00 31.44 29.49 2gum n GLU 152 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2gum s ASN 153 N 0.94 7.14 0.00 4.31 2.47 -0.70 -4.64 114.94 124.46 2gum s ASN 153 Ca 0.71 1.41 0.12 0.00 0.42 0.00 0.00 52.86 55.52 2gum s ASN 153 Cb -0.50 -2.52 0.13 0.00 -1.45 0.00 0.00 41.25 36.91 2gum s ASN 153 CO 0.38 -0.47 0.95 2.30 -3.72 0.00 0.00 177.10 176.54 2gum n ILE 154 N 4.73 0.14 -3.02 -5.21 -5.35 -1.26 -4.85 119.36 104.53 2gum n ILE 154 Ca 0.08 -0.57 -0.40 0.00 -0.27 0.00 0.00 62.75 61.60 2gum n ILE 154 Cb 0.48 1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 39.48 2gum n ILE 154 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gum s ALA 155 N -1.03 3.41 0.78 -1.28 0.00 -1.26 -5.05 121.76 117.32 2gum s ALA 155 Ca 0.16 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 2gum s ALA 155 Cb 0.11 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.34 2gum s ALA 155 CO 0.16 0.13 1.08 -2.14 0.00 0.00 0.00 175.76 174.99 2gum s PRO 156 N -0.32 2.25 0.17 0.00 0.02 -1.26 -4.98 135.00 130.89 2gum s PRO 156 Ca 0.37 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 2gum s PRO 156 Cb -0.21 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 2gum s PRO 156 CO 0.23 -1.59 1.23 -0.47 -0.33 0.00 0.00 177.00 176.07 2gum s TYR 157 N -2.98 3.39 -0.04 6.54 5.04 0.12 -4.82 117.35 124.60 2gum s TYR 157 Ca 0.61 1.35 0.05 0.00 -2.44 0.00 0.00 57.07 56.64 2gum s TYR 157 Cb -0.16 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.67 2gum s TYR 157 CO 0.56 -1.40 -0.20 0.15 -1.34 0.00 0.00 175.55 173.32 2gum s LYS 158 N -0.01 1.94 0.12 4.97 1.02 -1.26 -0.87 119.74 125.65 2gum s LYS 158 Ca 0.55 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.63 2gum s LYS 158 Cb -0.33 -1.72 0.05 0.00 -0.52 0.00 0.00 37.83 35.30 2gum s LYS 158 CO 0.36 0.34 0.46 -0.59 -0.92 0.00 0.00 175.35 175.00 2gum s PHE 159 N -0.16 -0.31 0.28 3.18 -0.12 -0.81 -5.00 117.98 115.03 2gum s PHE 159 Ca -0.00 0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.83 2gum s PHE 159 Cb -0.11 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.53 2gum s PHE 159 CO 0.02 -0.72 0.68 0.15 -0.05 0.00 0.00 175.22 175.30 2gum s LYS 160 N -3.50 3.97 0.13 1.99 1.02 -1.26 -0.29 119.74 121.80 2gum s LYS 160 Ca 0.01 0.58 -0.05 0.00 0.02 0.00 0.00 55.97 56.53 2gum s LYS 160 Cb 0.01 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2gum s LYS 160 CO -0.10 0.23 0.16 0.00 -0.92 0.00 0.00 175.35 174.72 2gum s ALA 161 N -1.88 0.35 -0.04 5.17 0.00 -0.12 -4.59 121.76 120.65 2gum s ALA 161 Ca 0.51 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2gum s ALA 161 Cb -0.11 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2gum s ALA 161 CO 0.19 -0.54 -0.11 0.99 0.00 0.00 0.00 175.76 176.28 2gum s THR 162 N -3.98 0.98 -0.09 0.00 2.01 -0.13 -0.25 115.64 114.18 2gum s THR 162 Ca 0.17 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 2gum s THR 162 Cb 0.05 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2gum s THR 162 CO -0.02 0.30 0.09 -0.04 -0.69 0.00 0.00 174.62 174.26 2gum s MET 163 N 0.25 3.24 -0.17 4.92 -1.94 0.16 -1.04 119.30 124.72 2gum s MET 163 Ca -0.05 -0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.64 2gum s MET 163 Cb -0.10 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.77 2gum s MET 163 CO 0.01 0.73 -0.01 0.71 -0.01 0.00 0.00 175.02 176.46 2gum s TYR 164 N -1.02 1.31 0.30 -0.03 1.51 0.14 -1.52 117.35 118.05 2gum s TYR 164 Ca 0.16 -0.90 -0.18 0.00 -1.01 0.00 0.00 57.07 55.13 2gum s TYR 164 Cb -0.12 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 2gum s TYR 164 CO 0.05 -0.58 0.70 1.52 -1.11 0.00 0.00 175.55 176.13 2gum s TYR 165 N 1.76 -0.02 -0.04 2.71 -0.85 -0.88 -0.66 117.35 119.37 2gum s TYR 165 Ca 0.00 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 2gum s TYR 165 Cb -0.16 0.65 0.01 0.00 0.38 0.00 0.00 41.96 42.85 2gum s TYR 165 CO -0.07 -1.28 -0.08 0.15 -1.52 0.00 0.00 175.55 172.74 2gum s LYS 166 N -3.53 1.01 -0.33 -3.49 1.02 0.96 -0.70 119.74 114.68 2gum s LYS 166 Ca 0.14 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 2gum s LYS 166 Cb -0.05 -0.94 0.02 0.00 -0.52 0.00 0.00 37.83 36.34 2gum s LYS 166 CO 0.09 0.04 1.07 -0.51 -0.92 0.00 0.00 175.35 175.12 2gum s ASP 167 N 0.48 6.90 -0.18 2.83 -0.00 -0.05 -0.62 116.67 126.03 2gum s ASP 167 Ca -0.08 0.99 -0.03 0.00 -0.00 0.00 0.00 52.55 53.44 2gum s ASP 167 Cb -0.11 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 2gum s ASP 167 CO 0.01 -0.90 -0.06 -0.69 -0.00 0.00 0.00 175.17 173.53 2gum s VAL 168 N 3.69 3.51 -0.05 -1.27 1.01 0.15 -1.30 120.40 126.13 2gum s VAL 168 Ca 0.45 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2gum s VAL 168 Cb -0.12 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2gum s VAL 168 CO 0.16 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.82 2gum s THR 169 N 0.82 0.42 -0.24 3.92 2.01 -0.42 -0.45 115.64 121.70 2gum s THR 169 Ca -0.02 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2gum s THR 169 Cb -0.15 -0.49 0.06 0.00 0.01 0.00 0.00 72.50 71.93 2gum s THR 169 CO 0.01 0.21 -0.09 0.54 -0.69 0.00 0.00 174.62 174.61 2gum s VAL 170 N 1.14 1.87 0.17 3.82 0.11 -0.28 -0.27 120.40 126.96 2gum s VAL 170 Ca -0.08 -1.40 -0.03 0.00 -2.93 0.00 0.00 61.98 57.54 2gum s VAL 170 Cb -0.14 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 32.63 2gum s VAL 170 CO -0.01 -0.03 0.39 -0.94 -3.33 0.00 0.00 175.10 171.18 2gum s SER 171 N 1.25 6.45 -0.18 3.54 1.04 -0.75 -1.60 113.70 123.44 2gum s SER 171 Ca -0.07 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2gum s SER 171 Cb -0.19 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.88 2gum s SER 171 CO -0.06 0.00 -0.17 -1.58 0.98 0.00 0.00 173.24 172.41 2gum s GLN 172 N -2.96 3.08 -0.09 4.02 0.74 0.12 -2.24 119.66 122.33 2gum s GLN 172 Ca 0.40 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 55.04 2gum s GLN 172 Cb -0.12 -2.64 0.01 0.00 1.10 0.00 0.00 33.01 31.37 2gum s GLN 172 CO 0.27 -0.17 -0.14 0.08 -0.55 0.00 0.00 175.29 174.78 2gum s VAL 173 N 1.25 1.32 -0.30 1.34 1.01 0.39 0.26 120.40 125.67 2gum s VAL 173 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 2gum s VAL 173 Cb -0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2gum s VAL 173 CO -0.09 0.40 0.17 0.86 0.00 0.00 0.00 175.10 176.43 2gum s TRP 174 N 0.82 3.18 -0.65 5.22 -0.00 -0.57 -1.18 118.94 125.78 2gum s TRP 174 Ca -0.11 -0.24 -0.24 0.00 -0.00 0.00 0.00 56.10 55.50 2gum s TRP 174 Cb -0.15 -2.37 0.05 0.00 -0.00 0.00 0.00 33.47 31.00 2gum s TRP 174 CO 0.02 -0.32 1.05 -0.06 -0.00 0.00 0.00 176.95 177.63 2gum s PHE 175 N 1.68 2.61 0.00 5.86 0.40 -1.01 -2.13 117.98 125.40 2gum s PHE 175 Ca 0.06 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2gum s PHE 175 Cb -0.16 -4.33 0.00 0.00 0.51 0.00 0.00 43.02 39.04 2gum s PHE 175 CO 0.08 -1.67 0.00 0.41 0.70 0.00 0.00 175.22 174.74 2gum n GLY 176 N 5.27 -2.09 0.07 4.36 0.00 0.16 -1.11 105.19 111.85 2gum n GLY 176 Ca -0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 2gum n GLY 176 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gum h HIS 177 N -1.35 0.00 0.00 1.61 2.76 -1.99 -3.40 115.15 112.77 2gum h HIS 177 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2gum h HIS 177 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2gum h HIS 177 CO 0.00 0.95 -1.80 2.89 -1.30 0.00 0.00 177.93 178.66 2gum n ARG 178 N -4.59 0.65 -3.24 5.26 1.85 -1.26 -5.02 116.66 110.30 2gum n ARG 178 Ca -0.13 -0.11 -0.12 0.00 -1.00 0.00 0.00 57.85 56.48 2gum n ARG 178 Cb 0.46 -1.59 -0.04 0.00 -1.05 0.00 0.00 32.46 30.24 2gum n ARG 178 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2gum n TYR 179 N -2.38 -0.09 -3.82 2.89 0.18 -1.26 -5.17 117.16 107.50 2gum n TYR 179 Ca -0.05 -1.42 -0.12 0.00 1.88 0.00 0.00 57.90 58.19 2gum n TYR 179 Cb 0.60 0.05 -0.11 0.00 -0.38 0.00 0.00 39.34 39.50 2gum n TYR 179 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2gum s SER 180 N -2.30 -0.13 -0.01 9.48 0.01 -1.26 -0.67 113.70 118.82 2gum s SER 180 Ca 0.14 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2gum s SER 180 Cb 0.01 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.58 2gum s SER 180 CO 0.10 -0.19 0.01 -1.58 0.41 0.00 0.00 173.24 171.99 2gum s GLN 181 N -0.48 0.04 0.06 12.44 0.74 -0.90 -4.95 119.66 126.61 2gum s GLN 181 Ca -0.06 0.08 -0.31 0.00 0.05 0.00 0.00 55.36 55.12 2gum s GLN 181 Cb -0.04 -0.19 -0.06 0.00 1.10 0.00 0.00 33.01 33.83 2gum s GLN 181 CO 0.01 -0.08 1.27 -0.06 -0.55 0.00 0.00 175.29 175.87 2gum s PHE 182 N 0.57 3.30 -0.09 1.67 0.08 -1.26 -1.51 117.98 120.74 2gum s PHE 182 Ca -0.05 1.16 0.15 0.00 0.12 0.00 0.00 56.93 58.31 2gum s PHE 182 Cb -0.07 -3.51 -0.21 0.00 -0.57 0.00 0.00 43.02 38.66 2gum s PHE 182 CO -0.01 -1.67 0.61 -1.33 -0.10 0.00 0.00 175.22 172.72 2gum n MET 183 N 4.21 0.64 -3.61 0.44 2.81 0.14 -4.95 117.12 116.80 2gum n MET 183 Ca 0.10 0.21 -0.06 0.00 -1.81 0.00 0.00 57.70 56.14 2gum n MET 183 Cb 0.45 -1.75 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 2gum n MET 183 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2gum s GLY 184 N -5.04 -0.07 -0.25 3.03 0.00 -1.20 -4.99 107.32 98.80 2gum s GLY 184 Ca -0.05 2.48 -0.02 0.00 0.00 0.00 0.00 44.72 47.13 2gum s GLY 184 CO 0.82 1.09 0.06 -0.42 0.00 0.00 0.00 173.10 174.66 2gum s ILE 185 N -1.03 0.70 -0.25 0.90 1.01 -1.26 -0.70 121.20 120.57 2gum s ILE 185 Ca 0.04 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 2gum s ILE 185 Cb -0.01 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2gum s ILE 185 CO -0.04 -0.43 0.70 0.12 0.00 0.00 0.00 174.94 175.29 2gum s PHE 186 N 1.74 3.29 -0.07 3.97 5.36 -0.63 -4.97 117.98 126.68 2gum s PHE 186 Ca 0.04 0.93 0.05 0.00 -0.96 0.00 0.00 56.93 56.98 2gum s PHE 186 Cb -0.17 -2.91 -0.00 0.00 -0.34 0.00 0.00 43.02 39.59 2gum s PHE 186 CO -0.17 -0.35 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.81 2gum s GLU 187 N 2.61 2.50 0.12 10.12 2.02 -1.26 -1.12 118.70 133.70 2gum s GLU 187 Ca 0.29 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.37 2gum s GLU 187 Cb -0.15 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2gum s GLU 187 CO 0.08 0.25 0.31 0.34 0.02 0.00 0.00 175.26 176.26 2gum s ASP 188 N 0.13 -0.04 -0.06 -0.19 2.15 0.40 -5.00 116.67 114.05 2gum s ASP 188 Ca -0.10 -0.56 0.03 0.00 0.43 0.00 0.00 52.55 52.34 2gum s ASP 188 Cb -0.15 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 2gum s ASP 188 CO 0.05 -0.83 -0.13 -0.13 -0.17 0.00 0.00 175.17 173.96 2gum s ARG 189 N -3.86 2.65 -0.09 4.34 0.52 -1.26 0.30 118.95 121.56 2gum s ARG 189 Ca 0.07 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2gum s ARG 189 Cb 0.03 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 33.07 2gum s ARG 189 CO -0.09 0.57 -0.18 0.00 0.02 0.00 0.00 175.30 175.62 2gum s ALA 190 N -0.59 1.76 0.43 2.13 0.00 0.20 -4.57 121.76 121.12 2gum s ALA 190 Ca 0.08 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2gum s ALA 190 Cb -0.11 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 2gum s ALA 190 CO 0.01 0.16 1.26 -1.25 0.00 0.00 0.00 175.76 175.94 2gum s PRO 191 N 0.57 3.83 -0.09 0.00 0.04 -1.20 -0.03 135.00 138.13 2gum s PRO 191 Ca -0.15 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 2gum s PRO 191 Cb -0.17 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2gum s PRO 191 CO 0.05 -0.57 0.73 0.08 0.04 0.00 0.00 177.00 177.33 2gum s VAL 192 N -1.35 5.01 0.45 -0.36 1.01 -1.12 -4.83 120.40 119.21 2gum s VAL 192 Ca 0.60 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.82 2gum s VAL 192 Cb -0.35 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 2gum s VAL 192 CO 0.44 0.21 1.18 -2.65 0.00 0.00 0.00 175.10 174.27 2gum n PRO 193 N 4.08 1.65 -0.18 2.72 -0.02 -1.26 -4.67 135.00 137.32 2gum n PRO 193 Ca -0.00 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 2gum n PRO 193 Cb 0.51 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 2gum n PRO 193 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2gum h PHE 194 N 1.74 -1.55 -0.88 6.00 3.57 -1.97 0.03 116.94 123.88 2gum h PHE 194 Ca -0.47 0.08 0.23 0.00 3.53 0.00 0.00 57.97 61.34 2gum h PHE 194 Cb 1.31 0.74 -0.13 0.00 2.79 0.00 0.00 35.95 40.66 2gum h PHE 194 CO 0.46 -0.41 0.30 1.05 -2.23 0.00 0.00 178.31 177.48 2gum h GLU 195 N -0.26 0.28 -0.15 1.11 -0.00 -1.99 -0.49 114.58 113.07 2gum h GLU 195 Ca 0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 59.39 2gum h GLU 195 Cb 0.48 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.17 2gum h GLU 195 CO -0.60 0.18 -0.06 1.49 -0.00 0.00 0.00 179.01 180.03 2gum h GLU 196 N 0.29 0.30 -0.26 1.06 4.81 -1.42 0.50 114.58 119.85 2gum h GLU 196 Ca 0.55 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.72 2gum h GLU 196 Cb 1.09 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 2gum h GLU 196 CO -0.60 0.61 -0.13 0.28 -0.73 0.00 0.00 179.01 178.45 2gum h VAL 197 N -0.03 0.60 0.57 0.32 2.07 -0.05 0.64 116.25 120.38 2gum h VAL 197 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2gum h VAL 197 Cb 0.52 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2gum h VAL 197 CO 0.02 0.00 -0.27 0.40 0.02 0.00 0.00 177.57 177.74 2gum h ILE 198 N -0.09 0.00 0.00 4.57 1.08 -1.05 0.90 117.51 122.92 2gum h ILE 198 Ca 0.14 -0.06 -0.13 0.00 -0.39 0.00 0.00 64.86 64.42 2gum h ILE 198 Cb 0.30 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 2gum h ILE 198 CO -0.32 0.00 -0.62 0.44 -0.69 0.00 0.00 178.15 176.95 2gum h ASP 199 N -0.82 0.00 0.00 1.72 3.32 -0.88 -1.62 116.42 118.14 2gum h ASP 199 Ca -0.08 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 2gum h ASP 199 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2gum h ASP 199 CO 0.13 0.62 -1.37 0.29 -1.72 0.00 0.00 179.24 177.19 2gum n LYS 200 N -3.31 0.47 0.16 3.56 4.76 0.21 -4.01 118.16 120.00 2gum n LYS 200 Ca 0.01 0.19 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 2gum n LYS 200 Cb 0.76 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.60 2gum n LYS 200 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2gum h ILE 201 N -0.86 0.00 -0.56 -0.18 2.04 -0.95 -1.73 117.51 115.28 2gum h ILE 201 Ca -0.21 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 2gum h ILE 201 Cb 1.09 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2gum h ILE 201 CO -0.13 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 176.88 2gum h ASN 202 N -0.98 0.98 0.59 1.72 -1.24 0.72 0.24 115.58 117.62 2gum h ASN 202 Ca -0.05 -0.31 -0.03 0.00 0.71 0.00 0.00 56.30 56.62 2gum h ASN 202 Cb 0.36 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 39.15 2gum h ASN 202 CO 0.08 1.05 -0.28 0.00 -1.29 0.00 0.00 177.43 176.99 2gum h ALA 203 N 0.96 -0.80 -0.01 1.57 0.00 -1.43 -3.38 119.26 116.17 2gum h ALA 203 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gum h ALA 203 Cb 0.56 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2gum h ALA 203 CO 0.03 -0.77 -0.10 1.63 0.00 0.00 0.00 179.25 180.04 2gum n LYS 204 N -5.32 1.24 -2.43 0.00 5.02 -0.72 -4.99 118.16 110.95 2gum n LYS 204 Ca -0.11 -0.95 -0.13 0.00 -2.02 0.00 0.00 58.31 55.10 2gum n LYS 204 Cb 0.33 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 2gum n LYS 204 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gum n GLY 205 N 0.78 -0.12 0.18 0.72 0.00 0.85 -4.98 105.19 102.62 2gum n GLY 205 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2gum n GLY 205 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gum n VAL 206 N -4.02 0.00 -3.50 1.61 0.24 -0.93 -3.07 118.33 108.66 2gum n VAL 206 Ca -0.12 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 2gum n VAL 206 Cb 0.60 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 2gum n VAL 206 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gum s ARG 208 N -2.43 4.68 0.00 0.00 0.52 -1.26 0.23 118.95 120.69 2gum s ARG 208 Ca -0.01 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 2gum s ARG 208 Cb -0.01 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2gum s ARG 208 CO -0.03 0.24 0.49 -1.13 0.02 0.00 0.00 175.30 174.88 2gum n SER 209 N 1.70 1.01 -4.17 0.23 3.41 -0.85 -4.74 113.62 110.21 2gum n SER 209 Ca 0.00 -1.87 -0.15 0.00 -0.26 0.00 0.00 58.87 56.58 2gum n SER 209 Cb 0.46 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 2gum n SER 209 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gum s THR 210 N -0.96 0.97 -0.23 6.66 -4.23 -1.26 -0.91 115.64 115.69 2gum s THR 210 Ca 0.00 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2gum s THR 210 Cb 0.00 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.63 2gum s THR 210 CO 0.00 -0.48 -0.04 0.00 -0.54 0.00 0.00 174.62 173.56 2gum s ALA 211 N -2.15 1.82 -0.18 3.99 0.00 -0.12 -4.95 121.76 120.17 2gum s ALA 211 Ca 0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2gum s ALA 211 Cb -0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2gum s ALA 211 CO 0.01 -1.19 -0.11 0.21 0.00 0.00 0.00 175.76 174.68 2gum s LYS 212 N 1.46 3.30 0.16 0.00 2.20 -1.26 -1.67 119.74 123.93 2gum s LYS 212 Ca -0.05 -0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 54.63 2gum s LYS 212 Cb -0.19 -2.78 0.07 0.00 -1.51 0.00 0.00 37.83 33.42 2gum s LYS 212 CO -0.06 -0.05 1.02 1.52 -0.36 0.00 0.00 175.35 177.42 2gum s TYR 213 N 1.02 -0.03 -0.25 4.03 -0.85 -1.00 -4.81 117.35 115.46 2gum s TYR 213 Ca -0.01 -0.30 -0.11 0.00 -0.52 0.00 0.00 57.07 56.13 2gum s TYR 213 Cb -0.15 0.66 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 2gum s TYR 213 CO -0.02 -0.84 0.20 0.08 -1.52 0.00 0.00 175.55 173.46 2gum s VAL 214 N -2.73 5.32 -0.04 -3.49 1.01 -1.26 -1.68 120.40 117.53 2gum s VAL 214 Ca 0.17 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2gum s VAL 214 Cb -0.01 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2gum s VAL 214 CO 0.03 0.30 -0.02 -0.60 0.00 0.00 0.00 175.10 174.81 2gum s ARG 215 N 1.34 0.59 -1.33 2.72 6.06 0.11 -4.87 118.95 123.56 2gum s ARG 215 Ca 0.09 -0.02 -0.07 0.00 -2.50 0.00 0.00 55.73 53.23 2gum s ARG 215 Cb -0.14 -0.68 -0.00 0.00 0.06 0.00 0.00 34.95 34.19 2gum s ARG 215 CO 0.07 -0.11 0.52 0.09 -2.50 0.00 0.00 175.30 173.38 2gum n ASN 216 N 4.09 -1.70 -2.08 -2.12 4.13 -1.26 -1.09 115.26 115.23 2gum n ASN 216 Ca -0.26 -1.02 -0.21 0.00 1.68 0.00 0.00 54.58 54.78 2gum n ASN 216 Cb 0.51 -3.09 -0.04 0.00 -1.54 0.00 0.00 39.78 35.61 2gum n ASN 216 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2gum n ASN 217 N -2.87 -5.68 -3.84 6.41 5.03 -1.26 -4.96 115.26 108.08 2gum n ASN 217 Ca -0.25 0.20 -0.12 0.00 0.87 0.00 0.00 54.58 55.28 2gum n ASN 217 Cb 0.66 -4.84 -0.13 0.00 -1.02 0.00 0.00 39.78 34.45 2gum n ASN 217 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2gum s LEU 218 N -5.51 1.54 -0.66 3.41 1.98 -0.25 -5.10 118.68 114.10 2gum s LEU 218 Ca 0.00 0.20 -0.21 0.00 -2.89 0.00 0.00 54.13 51.23 2gum s LEU 218 Cb 0.00 0.44 0.09 0.00 0.66 0.00 0.00 46.19 47.38 2gum s LEU 218 CO 0.00 -0.07 0.88 -0.70 -1.89 0.00 0.00 176.35 174.56 2gum s GLU 219 N -0.08 3.13 0.17 1.98 2.12 -1.26 0.04 118.70 124.80 2gum s GLU 219 Ca -0.02 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.17 2gum s GLU 219 Cb -0.02 -4.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 2gum s GLU 219 CO 0.00 -1.71 0.39 -0.08 -0.54 0.00 0.00 175.26 173.33 2gum s THR 220 N 3.39 5.17 0.01 -1.70 -1.32 -0.67 -4.92 115.64 115.59 2gum s THR 220 Ca 0.19 -0.09 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 2gum s THR 220 Cb -0.19 -3.67 -0.01 0.00 -1.51 0.00 0.00 72.50 67.12 2gum s THR 220 CO 0.07 -0.06 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.40 2gum s THR 221 N -1.76 1.06 -0.01 5.08 2.01 -1.26 -2.37 115.64 118.39 2gum s THR 221 Ca 0.40 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2gum s THR 221 Cb -0.12 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 2gum s THR 221 CO 0.26 0.18 -0.07 0.00 -0.69 0.00 0.00 174.62 174.31 2gum s ALA 222 N -0.51 0.60 -0.15 7.40 0.00 -0.67 -4.96 121.76 123.47 2gum s ALA 222 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2gum s ALA 222 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2gum s ALA 222 CO 0.00 0.12 -0.16 -0.06 0.00 0.00 0.00 175.76 175.67 2gum s PHE 223 N -0.02 2.77 0.25 0.00 0.40 -1.26 -0.94 117.98 119.18 2gum s PHE 223 Ca 0.01 -1.06 -0.31 0.00 -0.60 0.00 0.00 56.93 54.97 2gum s PHE 223 Cb -0.04 -1.88 -0.12 0.00 0.51 0.00 0.00 43.02 41.49 2gum s PHE 223 CO -0.00 -0.48 1.67 1.58 0.70 0.00 0.00 175.22 178.69 2gum n HIS 224 N 4.04 2.80 -1.07 0.36 -0.00 -0.08 -0.32 115.22 120.94 2gum n HIS 224 Ca -0.19 0.14 -0.03 0.00 -0.00 0.00 0.00 57.72 57.64 2gum n HIS 224 Cb 0.52 -2.64 -0.01 0.00 -0.00 0.00 0.00 29.99 27.86 2gum n HIS 224 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2gum n ARG 225 N 3.14 -1.74 -3.82 1.57 1.74 0.91 -2.35 116.66 116.12 2gum n ARG 225 Ca 0.13 0.55 -0.24 0.00 -0.77 0.00 0.00 57.85 57.51 2gum n ARG 225 Cb 0.36 -4.89 0.02 0.00 -1.02 0.00 0.00 32.46 26.92 2gum n ARG 225 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gum n ASP 226 N -0.92 -1.52 -4.29 0.55 8.00 0.56 -4.87 116.55 114.06 2gum n ASP 226 Ca -0.03 -0.87 -0.23 0.00 0.71 0.00 0.00 54.79 54.37 2gum n ASP 226 Cb 0.47 -3.72 -0.09 0.00 -0.02 0.00 0.00 41.12 37.76 2gum n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2gum s ASP 227 N -4.18 2.46 0.23 -2.24 -1.08 -0.99 -5.05 116.67 105.82 2gum s ASP 227 Ca 0.12 -1.52 -0.32 0.00 -0.52 0.00 0.00 52.55 50.32 2gum s ASP 227 Cb -0.06 0.22 -0.13 0.00 -1.46 0.00 0.00 42.92 41.49 2gum s ASP 227 CO 0.84 -0.77 1.54 1.41 0.52 0.00 0.00 175.17 178.71 2gum n HIS 228 N -0.77 2.46 -1.67 -5.34 8.25 -1.26 -4.61 115.22 112.28 2gum n HIS 228 Ca -0.04 0.29 -0.49 0.00 -0.26 0.00 0.00 57.72 57.22 2gum n HIS 228 Cb 0.66 -2.55 -0.05 0.00 1.12 0.00 0.00 29.99 29.17 2gum n HIS 228 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2gum n GLU 229 N 2.65 1.91 -3.88 -0.41 2.13 -1.26 -4.98 120.64 116.80 2gum n GLU 229 Ca 0.13 0.69 -0.12 0.00 0.66 0.00 0.00 57.16 58.52 2gum n GLU 229 Cb 0.33 -2.46 -0.14 0.00 0.27 0.00 0.00 31.44 29.44 2gum n GLU 229 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2gum s THR 230 N 2.22 0.01 0.10 6.31 -4.23 -1.26 -4.95 115.64 113.84 2gum s THR 230 Ca 0.86 -0.12 -0.31 0.00 -1.18 0.00 0.00 61.69 60.94 2gum s THR 230 Cb -0.76 -0.05 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 2gum s THR 230 CO 0.47 -0.07 1.36 -1.81 -0.54 0.00 0.00 174.62 174.03 2gum s ASP 231 N -0.19 6.86 -0.04 3.99 -0.00 -1.26 -2.00 116.67 124.02 2gum s ASP 231 Ca -0.02 2.27 0.05 0.00 -0.00 0.00 0.00 52.55 54.85 2gum s ASP 231 Cb -0.01 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.30 2gum s ASP 231 CO -0.00 -0.63 -0.19 -0.04 -0.00 0.00 0.00 175.17 174.30 2gum s MET 232 N 1.16 2.42 0.06 8.23 -1.94 0.13 -4.88 119.30 124.49 2gum s MET 232 Ca 0.64 -0.80 -0.31 0.00 -1.71 0.00 0.00 55.69 53.51 2gum s MET 232 Cb -0.35 -2.25 -0.07 0.00 2.01 0.00 0.00 34.83 34.17 2gum s MET 232 CO 0.30 0.55 1.35 -2.00 -0.01 0.00 0.00 175.02 175.21 2gum s GLU 233 N -0.57 4.33 0.30 2.03 2.12 -1.26 -1.30 118.70 124.35 2gum s GLU 233 Ca 0.08 1.97 -0.28 0.00 0.36 0.00 0.00 54.97 57.10 2gum s GLU 233 Cb -0.11 -3.38 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2gum s GLU 233 CO 0.01 -0.45 0.99 -0.51 -0.54 0.00 0.00 175.26 174.76 2gum s LEU 234 N 1.55 4.45 0.10 2.70 1.43 -1.17 -4.60 118.68 123.14 2gum s LEU 234 Ca 0.63 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.78 2gum s LEU 234 Cb -0.33 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 2gum s LEU 234 CO 0.29 -0.07 -0.15 -0.54 0.23 0.00 0.00 176.35 176.10 2gum s LYS 235 N -1.71 0.97 0.24 1.70 1.02 0.56 -4.92 119.74 117.60 2gum s LYS 235 Ca 0.47 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.01 2gum s LYS 235 Cb -0.24 -0.94 -0.13 0.00 -0.52 0.00 0.00 37.83 36.01 2gum s LYS 235 CO 0.31 0.19 1.56 -2.30 -0.92 0.00 0.00 175.35 174.19 2gum n PRO 236 N 0.83 2.45 -1.61 -1.68 -0.02 -1.26 -1.78 135.00 131.92 2gum n PRO 236 Ca -0.18 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 2gum n PRO 236 Cb 0.56 -2.63 0.07 0.00 -0.02 0.00 0.00 33.50 31.47 2gum n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gum s ALA 237 N 0.32 2.29 0.33 3.55 0.00 0.62 -4.83 121.76 124.03 2gum s ALA 237 Ca 0.69 0.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 2gum s ALA 237 Cb -0.57 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.02 2gum s ALA 237 CO 0.44 -1.58 1.29 0.09 0.00 0.00 0.00 175.76 176.00 2gum n ASN 238 N -2.49 2.69 -4.73 0.00 3.02 -1.26 -4.89 115.26 107.60 2gum n ASN 238 Ca 0.12 1.20 -0.39 0.00 -0.03 0.00 0.00 54.58 55.48 2gum n ASN 238 Cb 0.51 -1.47 0.03 0.00 -0.61 0.00 0.00 39.78 38.24 2gum n ASN 238 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gum n ALA 239 N 0.49 1.50 -3.64 5.41 0.00 -1.26 -5.03 120.51 117.99 2gum n ALA 239 Ca 0.06 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 2gum n ALA 239 Cb 0.35 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 2gum n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gum s ALA 240 N -1.27 -1.83 0.54 0.00 0.00 -1.26 -5.16 121.76 112.79 2gum s ALA 240 Ca 0.68 2.30 -0.22 0.00 0.00 0.00 0.00 51.96 54.73 2gum s ALA 240 Cb -0.44 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2gum s ALA 240 CO 0.52 -0.37 1.30 0.25 0.00 0.00 0.00 175.76 177.47 2gum n THR 241 N 3.93 3.75 -4.08 0.00 -2.24 -1.26 -3.46 114.28 110.92 2gum n THR 241 Ca -0.19 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 2gum n THR 241 Cb 0.58 -1.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.19 2gum n THR 241 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gum n ARG 242 N -0.95 -2.72 -4.13 -0.78 1.74 -1.26 -4.98 116.66 103.58 2gum n ARG 242 Ca 0.11 0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 57.37 2gum n ARG 242 Cb 0.44 -4.41 -0.13 0.00 -1.02 0.00 0.00 32.46 27.34 2gum n ARG 242 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2gum s THR 243 N -3.94 0.56 1.36 0.55 -4.23 -1.22 -5.15 115.64 103.56 2gum s THR 243 Ca 0.13 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.67 2gum s THR 243 Cb -0.07 -0.55 0.34 0.00 1.34 0.00 0.00 72.50 73.56 2gum s THR 243 CO 0.92 -0.15 0.99 -0.94 -0.54 0.00 0.00 174.62 174.91 2gum s SER 244 N -0.97 -0.50 0.15 3.99 1.04 -1.26 -4.98 113.70 111.17 2gum s SER 244 Ca -0.04 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 2gum s SER 244 Cb -0.07 -1.02 -0.07 0.00 0.10 0.00 0.00 66.02 64.96 2gum s SER 244 CO 0.00 -5.01 0.62 -0.13 0.98 0.00 0.00 173.24 169.71 2gum s ARG 245 N -5.23 4.14 0.07 4.02 0.52 -1.26 -4.94 118.95 116.27 2gum s ARG 245 Ca 0.70 0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 56.55 2gum s ARG 245 Cb -0.11 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2gum s ARG 245 CO 0.57 0.49 0.11 0.20 0.02 0.00 0.00 175.30 176.69 2gum s GLY 246 N -1.53 0.22 0.01 -3.53 0.00 -1.26 -0.82 107.32 100.41 2gum s GLY 246 Ca 0.37 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 2gum s GLY 246 CO 0.20 -0.94 0.08 -0.98 0.00 0.00 0.00 173.10 171.46 2gum s TRP 247 N -3.66 0.12 0.30 1.90 0.51 0.11 -0.28 118.94 117.93 2gum s TRP 247 Ca 0.04 -0.28 -0.03 0.00 -2.12 0.00 0.00 56.10 53.70 2gum s TRP 247 Cb 0.05 -0.10 -0.01 0.00 -0.81 0.00 0.00 33.47 32.60 2gum s TRP 247 CO -0.10 -0.27 0.40 -3.38 -0.51 0.00 0.00 176.95 173.09 2gum s HIS 248 N -1.50 1.01 -0.09 -1.98 -3.43 -0.73 -0.12 115.29 108.44 2gum s HIS 248 Ca -0.14 -1.23 0.08 0.00 -0.80 0.00 0.00 55.06 52.97 2gum s HIS 248 Cb -0.08 -0.18 -0.12 0.00 -1.43 0.00 0.00 32.58 30.78 2gum s HIS 248 CO 0.00 -0.99 0.03 0.25 -2.00 0.00 0.00 174.74 172.03 2gum n THR 249 N -0.48 0.64 -4.30 -5.38 -2.24 -0.98 -0.33 114.28 101.21 2gum n THR 249 Ca 0.01 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 2gum n THR 249 Cb 0.62 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.99 2gum n THR 249 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gum s THR 250 N -2.23 1.74 -0.15 4.28 2.01 -1.26 -4.92 115.64 115.12 2gum s THR 250 Ca -0.05 -1.70 0.02 0.00 0.31 0.00 0.00 61.69 60.27 2gum s THR 250 Cb 0.03 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 2gum s THR 250 CO 0.38 -0.18 -0.12 0.47 -0.69 0.00 0.00 174.62 174.49 2gum n ASP 251 N 0.74 2.78 -4.94 3.53 8.00 -1.26 -4.98 116.55 120.42 2gum n ASP 251 Ca -0.17 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.01 2gum n ASP 251 Cb 0.55 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2gum n ASP 251 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gum s LEU 252 N -5.77 4.24 -0.10 0.64 1.43 -1.26 -5.09 118.68 112.76 2gum s LEU 252 Ca -0.19 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2gum s LEU 252 Cb 0.05 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2gum s LEU 252 CO 0.36 -0.07 0.50 -0.54 0.23 0.00 0.00 176.35 176.83 2gum s LYS 253 N -3.57 4.33 -0.07 1.70 -0.14 -1.26 -4.99 119.74 115.74 2gum s LYS 253 Ca 0.37 0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 55.24 2gum s LYS 253 Cb -0.10 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 2gum s LYS 253 CO 0.30 0.19 0.73 -0.47 -0.76 0.00 0.00 175.35 175.34 2gum s TYR 254 N 0.51 3.57 0.10 3.18 5.04 -1.26 -5.06 117.35 123.42 2gum s TYR 254 Ca 0.27 1.28 0.08 0.00 -2.44 0.00 0.00 57.07 56.26 2gum s TYR 254 Cb -0.16 -2.85 -0.03 0.00 0.35 0.00 0.00 41.96 39.27 2gum s TYR 254 CO 0.12 0.04 -0.21 -0.80 -1.34 0.00 0.00 175.55 173.36 2gum s ASN 255 N 0.86 2.53 0.43 4.32 0.01 -1.26 -4.30 114.94 117.52 2gum s ASN 255 Ca 0.39 -0.68 -0.23 0.00 -0.71 0.00 0.00 52.86 51.63 2gum s ASN 255 Cb -0.18 -0.14 -0.12 0.00 0.41 0.00 0.00 41.25 41.22 2gum s ASN 255 CO 0.18 0.06 0.70 -2.65 -1.51 0.00 0.00 177.10 173.89 2gum n PRO 256 N 1.14 0.80 -2.38 -0.60 -0.02 -1.26 -4.91 135.00 127.77 2gum n PRO 256 Ca -0.19 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 2gum n PRO 256 Cb 0.54 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 2gum n PRO 256 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2gum s SER 257 N -0.91 7.09 0.18 2.55 1.04 -1.26 -4.93 113.70 117.46 2gum s SER 257 Ca 0.64 2.37 -0.33 0.00 0.48 0.00 0.00 55.95 59.11 2gum s SER 257 Cb -0.58 -2.63 -0.15 0.00 0.10 0.00 0.00 66.02 62.75 2gum s SER 257 CO 0.57 -0.28 1.24 -1.14 0.98 0.00 0.00 173.24 174.61 2gum n ARG 258 N 0.99 1.36 -3.21 4.02 0.00 -1.26 -4.98 116.66 113.58 2gum n ARG 258 Ca -0.00 0.49 -0.01 0.00 -0.00 0.00 0.00 57.85 58.33 2gum n ARG 258 Cb 0.44 -2.04 -0.02 0.00 0.00 0.00 0.00 32.46 30.85 2gum n ARG 258 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2gum s VAL 259 N -0.08 -0.90 0.33 5.15 1.01 -1.26 -5.15 120.40 119.50 2gum s VAL 259 Ca 0.73 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 2gum s VAL 259 Cb -0.82 -0.55 -0.14 0.00 0.00 0.00 0.00 36.38 34.88 2gum s VAL 259 CO 0.51 -0.08 0.75 1.21 0.00 0.00 0.00 175.10 177.48 2gum n GLU 260 N 4.89 0.81 -3.78 2.72 2.13 -1.26 -2.86 120.64 123.28 2gum n GLU 260 Ca 0.08 0.29 -0.24 0.00 0.66 0.00 0.00 57.16 57.95 2gum n GLU 260 Cb 0.54 -1.57 0.02 0.00 0.27 0.00 0.00 31.44 30.70 2gum n GLU 260 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gum n ALA 261 N -0.25 -1.86 -3.28 4.31 0.00 -0.27 -4.98 120.51 114.18 2gum n ALA 261 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 2gum n ALA 261 Cb 0.34 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.32 2gum n ALA 261 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2gum s PHE 262 N -3.64 -0.26 -0.12 0.00 0.40 -1.14 -5.01 117.98 108.22 2gum s PHE 262 Ca 0.14 0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 56.75 2gum s PHE 262 Cb -0.07 0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.55 2gum s PHE 262 CO 0.83 -0.41 0.32 -1.01 0.70 0.00 0.00 175.22 175.65 2gum s HIS 263 N -1.22 3.54 0.04 0.36 3.76 -1.26 -2.39 115.29 118.11 2gum s HIS 263 Ca -0.12 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 2gum s HIS 263 Cb -0.04 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 2gum s HIS 263 CO 0.05 0.37 -0.04 1.03 -0.85 0.00 0.00 174.74 175.29 2gum s ARG 264 N 0.01 0.49 0.02 1.40 0.52 -0.32 -4.95 118.95 116.11 2gum s ARG 264 Ca 0.19 -0.86 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 2gum s ARG 264 Cb -0.14 0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 2gum s ARG 264 CO 0.06 -0.04 -0.24 0.71 0.02 0.00 0.00 175.30 175.82 2gum s TYR 265 N -2.25 2.40 -0.00 -0.53 1.51 -1.26 -0.46 117.35 116.76 2gum s TYR 265 Ca -0.06 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2gum s TYR 265 Cb -0.04 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 2gum s TYR 265 CO -0.03 0.11 -0.08 0.20 -1.11 0.00 0.00 175.55 174.64 2gum s GLY 266 N -1.07 0.38 -0.11 0.71 0.00 -0.95 -4.48 107.32 101.80 2gum s GLY 266 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 2gum s GLY 266 CO 0.02 -0.29 -0.08 -1.59 0.00 0.00 0.00 173.10 171.16 2gum s THR 267 N -0.21 3.55 -0.09 0.90 2.01 -1.26 -1.81 115.64 118.75 2gum s THR 267 Ca 0.03 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2gum s THR 267 Cb -0.03 -2.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.99 2gum s THR 267 CO -0.00 0.55 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.35 2gum s THR 268 N -0.15 1.97 -0.24 -0.82 2.01 0.62 -0.06 115.64 118.97 2gum s THR 268 Ca 0.01 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2gum s THR 268 Cb -0.13 -1.70 0.07 0.00 0.01 0.00 0.00 72.50 70.75 2gum s THR 268 CO 0.03 0.54 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.81 2gum s VAL 269 N 0.23 1.15 -0.33 3.82 1.01 -1.26 -1.30 120.40 123.73 2gum s VAL 269 Ca -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 2gum s VAL 269 Cb -0.17 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2gum s VAL 269 CO 0.07 -0.23 0.07 0.21 0.00 0.00 0.00 175.10 175.22 2gum s ASN 270 N 1.55 5.12 -0.06 3.32 2.47 -0.42 -4.73 114.94 122.20 2gum s ASN 270 Ca -0.02 -1.30 -0.30 0.00 0.42 0.00 0.00 52.86 51.67 2gum s ASN 270 Cb -0.18 -1.80 -0.04 0.00 -1.45 0.00 0.00 41.25 37.78 2gum s ASN 270 CO -0.09 -0.32 1.38 0.00 -3.72 0.00 0.00 177.10 174.34 2gum s ILE 272 N 2.94 1.73 -0.13 0.00 1.01 0.13 -2.31 121.20 124.57 2gum s ILE 272 Ca 0.62 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2gum s ILE 272 Cb -0.28 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2gum s ILE 272 CO 0.23 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.85 2gum s VAL 273 N 0.24 1.35 -0.06 2.92 1.01 0.83 -2.08 120.40 124.61 2gum s VAL 273 Ca -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2gum s VAL 273 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2gum s VAL 273 CO 0.05 0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.85 2gum s GLU 274 N 1.49 1.57 -0.07 2.72 2.02 -0.57 0.04 118.70 125.89 2gum s GLU 274 Ca 0.03 -0.37 -0.26 0.00 0.02 0.00 0.00 54.97 54.39 2gum s GLU 274 Cb -0.13 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 2gum s GLU 274 CO -0.08 0.01 0.83 -1.21 0.02 0.00 0.00 175.26 174.83 2gum s GLU 275 N 0.70 4.45 0.07 1.61 2.02 -0.00 0.38 118.70 127.91 2gum s GLU 275 Ca -0.14 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 55.94 2gum s GLU 275 Cb -0.16 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2gum s GLU 275 CO 0.03 -0.08 0.00 0.14 0.02 0.00 0.00 175.26 175.38 2gum s VAL 276 N 1.22 0.19 0.18 2.63 -7.23 0.65 -4.07 120.40 113.97 2gum s VAL 276 Ca 0.43 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.62 2gum s VAL 276 Cb -0.19 -1.63 -0.08 0.00 0.56 0.00 0.00 36.38 35.05 2gum s VAL 276 CO 0.20 -0.86 0.66 -1.81 -0.31 0.00 0.00 175.10 172.99 2gum s ASP 277 N -2.94 7.02 0.14 4.85 1.01 -1.26 -0.94 116.67 124.54 2gum s ASP 277 Ca 0.11 1.33 0.10 0.00 0.71 0.00 0.00 52.55 54.80 2gum s ASP 277 Cb 0.08 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2gum s ASP 277 CO -0.07 0.09 -0.25 0.00 0.21 0.00 0.00 175.17 175.15 2gum s ALA 278 N -1.44 2.27 0.01 5.23 0.00 0.60 -1.38 121.76 127.05 2gum s ALA 278 Ca 0.40 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2gum s ALA 278 Cb -0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2gum s ALA 278 CO 0.21 0.47 0.02 1.03 0.00 0.00 0.00 175.76 177.48 2gum s ARG 279 N -2.17 0.30 -0.12 0.00 0.52 -0.46 -1.93 118.95 115.08 2gum s ARG 279 Ca 0.14 -0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 2gum s ARG 279 Cb -0.09 0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.52 2gum s ARG 279 CO 0.06 -0.06 0.32 0.45 0.02 0.00 0.00 175.30 176.09 2gum s SER 280 N -1.17 -0.34 0.12 0.23 0.15 -0.05 -1.10 113.70 111.55 2gum s SER 280 Ca -0.13 0.65 0.07 0.00 0.70 0.00 0.00 55.95 57.24 2gum s SER 280 Cb -0.08 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2gum s SER 280 CO -0.00 -0.12 -0.07 0.68 1.20 0.00 0.00 173.24 174.93 2gum s VAL 281 N 0.29 3.48 0.35 4.45 -7.23 -1.26 0.14 120.40 120.62 2gum s VAL 281 Ca -0.01 -1.32 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 2gum s VAL 281 Cb -0.03 -2.66 -0.13 0.00 0.56 0.00 0.00 36.38 34.11 2gum s VAL 281 CO -0.01 0.05 0.80 0.00 -0.31 0.00 0.00 175.10 175.63 2gum n TYR 282 N 0.46 0.45 1.85 2.82 9.36 -1.26 -0.94 117.16 129.91 2gum n TYR 282 Ca -0.12 0.67 0.09 0.00 3.32 0.00 0.00 57.90 61.86 2gum n TYR 282 Cb 0.53 -2.12 0.48 0.00 -0.63 0.00 0.00 39.34 37.60 2gum n TYR 282 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2gum n PRO 283 N 0.59 1.14 -2.25 2.98 -0.04 -1.26 -4.91 135.00 131.25 2gum n PRO 283 Ca 0.11 -0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.31 2gum n PRO 283 Cb 0.35 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2gum n PRO 283 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gum n TYR 284 N -0.56 -0.35 1.55 0.54 4.02 -0.11 -4.93 117.16 117.32 2gum n TYR 284 Ca 0.14 0.06 0.11 0.00 -0.01 0.00 0.00 57.90 58.19 2gum n TYR 284 Cb 0.11 -1.79 0.47 0.00 -0.02 0.00 0.00 39.34 38.12 2gum n TYR 284 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2gum n ASP 285 N 0.88 1.01 -3.67 7.72 3.85 -1.26 -4.02 116.55 121.06 2gum n ASP 285 Ca -0.05 -1.56 -0.02 0.00 -0.71 0.00 0.00 54.79 52.45 2gum n ASP 285 Cb 0.54 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 40.24 2gum n ASP 285 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2gum s GLU 286 N -1.89 0.82 0.27 0.11 -1.05 -1.25 -3.35 118.70 112.37 2gum s GLU 286 Ca 0.32 -0.43 -0.14 0.00 -0.15 0.00 0.00 54.97 54.57 2gum s GLU 286 Cb 0.16 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 2gum s GLU 286 CO 0.26 -0.38 0.55 -0.59 0.95 0.00 0.00 175.26 176.05 2gum s PHE 287 N -2.92 0.30 0.14 4.83 -0.12 -0.55 -4.42 117.98 115.25 2gum s PHE 287 Ca 0.12 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.38 2gum s PHE 287 Cb 0.01 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2gum s PHE 287 CO -0.02 -1.10 -0.17 0.14 -0.05 0.00 0.00 175.22 174.03 2gum s VAL 288 N -3.78 1.61 0.31 -2.49 -7.23 -0.26 0.06 120.40 108.62 2gum s VAL 288 Ca 0.21 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2gum s VAL 288 Cb -0.02 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2gum s VAL 288 CO 0.10 -0.32 0.30 -0.76 -0.31 0.00 0.00 175.10 174.11 2gum s LEU 289 N -2.47 3.74 0.54 1.32 1.43 -0.63 -1.36 118.68 121.25 2gum s LEU 289 Ca 0.12 -0.36 0.30 0.00 -1.03 0.00 0.00 54.13 53.16 2gum s LEU 289 Cb -0.06 -2.35 1.66 0.00 0.03 0.00 0.00 46.19 45.47 2gum s LEU 289 CO 0.05 -0.27 1.92 0.00 0.23 0.00 0.00 176.35 178.28 2gum h ALA 290 N 1.26 1.12 -0.00 4.21 0.00 -1.57 -1.03 119.26 123.26 2gum h ALA 290 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gum h ALA 290 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gum h ALA 290 CO 0.58 -0.12 -0.03 0.25 0.00 0.00 0.00 179.25 179.93 2gum n THR 291 N -2.68 0.00 -0.13 0.00 -2.24 -1.26 -4.88 114.28 103.09 2gum n THR 291 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2gum n THR 291 Cb 0.19 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2gum n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gum n GLY 292 N 1.27 0.98 3.68 3.38 0.00 -0.39 -5.03 105.19 109.08 2gum n GLY 292 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2gum n GLY 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gum s ASP 293 N -2.84 6.88 0.24 1.61 -0.00 -1.25 -4.84 116.67 116.46 2gum s ASP 293 Ca 0.00 1.98 -0.19 0.00 -0.00 0.00 0.00 52.55 54.34 2gum s ASP 293 Cb 0.00 -2.55 -0.08 0.00 -0.00 0.00 0.00 42.92 40.29 2gum s ASP 293 CO 0.00 -0.74 0.73 -0.36 -0.00 0.00 0.00 175.17 174.80 2gum s PHE 294 N 2.88 3.60 -0.27 4.23 0.40 -1.26 -1.60 117.98 125.95 2gum s PHE 294 Ca 0.62 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 58.31 2gum s PHE 294 Cb -0.28 -2.60 0.08 0.00 0.51 0.00 0.00 43.02 40.72 2gum s PHE 294 CO 0.23 0.29 0.02 0.08 0.70 0.00 0.00 175.22 176.54 2gum s VAL 295 N -1.61 1.28 -1.12 -0.44 1.01 0.11 -4.98 120.40 114.65 2gum s VAL 295 Ca 0.45 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2gum s VAL 295 Cb -0.15 -1.77 -0.15 0.00 0.00 0.00 0.00 36.38 34.32 2gum s VAL 295 CO 0.20 -0.36 3.17 -1.22 0.00 0.00 0.00 175.10 176.89 2gum n TYR 296 N 4.72 1.66 -3.87 5.22 4.02 -1.26 -1.48 117.16 126.18 2gum n TYR 296 Ca -0.06 -2.60 -0.11 0.00 -0.01 0.00 0.00 57.90 55.12 2gum n TYR 296 Cb 0.44 -2.21 -0.11 0.00 -0.02 0.00 0.00 39.34 37.43 2gum n TYR 296 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2gum s MET 297 N 1.79 0.29 0.28 -0.72 1.75 -1.24 -2.22 119.30 119.23 2gum s MET 297 Ca 0.69 -0.15 -0.29 0.00 -1.25 0.00 0.00 55.69 54.69 2gum s MET 297 Cb 0.22 0.12 -0.10 0.00 2.84 0.00 0.00 34.83 37.92 2gum s MET 297 CO -0.04 -0.06 1.32 0.45 -0.65 0.00 0.00 175.02 176.04 2gum s SER 298 N -0.68 6.81 0.27 1.11 0.15 -0.93 -3.76 113.70 116.67 2gum s SER 298 Ca -0.08 2.59 0.20 0.00 0.70 0.00 0.00 55.95 59.36 2gum s SER 298 Cb -0.05 -2.63 1.01 0.00 -1.71 0.00 0.00 66.02 62.64 2gum s SER 298 CO 0.01 -0.54 1.62 -2.65 1.20 0.00 0.00 173.24 172.87 2gum n PRO 299 N 1.59 0.14 -0.14 5.44 -0.02 -1.26 -1.27 135.00 139.48 2gum n PRO 299 Ca 0.03 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2gum n PRO 299 Cb 0.42 -1.89 0.17 0.00 -0.02 0.00 0.00 33.50 32.18 2gum n PRO 299 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gum n PHE 300 N -2.17 0.36 -2.03 6.00 3.01 -1.26 -4.70 117.46 116.67 2gum n PHE 300 Ca -0.00 -0.22 -0.36 0.00 1.01 0.00 0.00 57.45 57.88 2gum n PHE 300 Cb 0.09 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 2gum n PHE 300 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2gum s TYR 301 N -1.37 2.46 -1.11 1.38 5.04 -0.40 -4.83 117.35 118.52 2gum s TYR 301 Ca 0.31 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2gum s TYR 301 Cb 0.19 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 39.00 2gum s TYR 301 CO 0.26 -2.17 0.00 0.41 -1.34 0.00 0.00 175.55 172.71 2gum n GLY 302 N 0.51 -0.66 0.30 8.97 0.00 -1.23 -4.97 105.19 108.11 2gum n GLY 302 Ca 0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 2gum n GLY 302 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gum n TYR 303 N 1.99 0.00 -1.68 1.61 0.53 -1.26 -1.10 117.16 117.26 2gum n TYR 303 Ca 0.00 0.00 -0.46 0.00 -1.02 0.00 0.00 57.90 56.42 2gum n TYR 303 Cb 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 39.34 37.75 2gum n TYR 303 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2gum n ARG 304 N -3.25 2.26 -1.39 -0.72 1.74 -1.26 -4.33 116.66 109.71 2gum n ARG 304 Ca -0.26 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2gum n ARG 304 Cb 0.73 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2gum n ARG 304 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gum n GLU 305 N 4.22 -0.42 -0.25 5.56 4.71 -1.26 -2.14 120.64 131.06 2gum n GLU 305 Ca 0.18 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 2gum n GLU 305 Cb 0.30 -0.36 0.00 0.00 -1.01 0.00 0.00 31.44 30.37 2gum n GLU 305 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gum n GLY 306 N 1.41 0.03 0.33 0.62 0.00 -1.26 -4.80 105.19 101.52 2gum n GLY 306 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2gum n GLY 306 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gum h SER 307 N 0.00 0.69 0.00 1.61 0.02 -1.62 0.43 113.55 114.68 2gum h SER 307 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2gum h SER 307 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2gum h SER 307 CO 0.00 0.32 0.14 0.00 -1.14 0.00 0.00 176.83 176.15 2gum n HIS 308 N -4.77 0.13 0.10 3.45 1.44 -0.26 -0.32 115.22 115.00 2gum n HIS 308 Ca 0.18 0.07 -0.04 0.00 -2.01 0.00 0.00 57.72 55.92 2gum n HIS 308 Cb 0.41 -0.49 0.05 0.00 0.12 0.00 0.00 29.99 30.09 2gum n HIS 308 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2gum h THR 309 N 0.00 1.55 -3.37 0.61 2.02 -1.20 -3.46 112.91 109.07 2gum h THR 309 Ca 0.00 -2.65 -0.50 0.00 0.77 0.00 0.00 66.41 64.03 2gum h THR 309 Cb 0.27 2.43 0.22 0.00 -1.74 0.00 0.00 68.15 69.33 2gum h THR 309 CO 0.00 0.76 -0.40 -0.62 0.37 0.00 0.00 175.52 175.62 2gum n GLU 310 N -3.62 -0.92 -1.57 6.66 -0.58 0.57 -4.96 120.64 116.21 2gum n GLU 310 Ca -0.01 -0.23 -0.31 0.00 -0.42 0.00 0.00 57.16 56.19 2gum n GLU 310 Cb 0.75 -2.00 0.05 0.00 -0.57 0.00 0.00 31.44 29.67 2gum n GLU 310 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2gum s HIS 311 N -2.42 2.99 -0.29 -0.32 5.65 -1.26 -4.94 115.29 114.69 2gum s HIS 311 Ca 0.61 1.46 -0.21 0.00 0.25 0.00 0.00 55.06 57.17 2gum s HIS 311 Cb -0.20 -2.93 0.17 0.00 -1.18 0.00 0.00 32.58 28.44 2gum s HIS 311 CO 0.65 -1.33 1.22 -0.08 -0.65 0.00 0.00 174.74 174.54 2gum s THR 312 N -2.93 0.00 -0.41 0.89 -1.32 -1.26 -2.19 115.64 108.41 2gum s THR 312 Ca 0.59 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.19 2gum s THR 312 Cb -0.15 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.16 2gum s THR 312 CO 0.53 0.00 1.25 0.41 -2.21 0.00 0.00 174.62 174.60 2gum n THR 313 N 2.54 1.55 -4.24 5.08 -1.04 -0.94 -5.01 114.28 112.22 2gum n THR 313 Ca -0.14 -1.47 -0.30 0.00 -2.04 0.00 0.00 64.05 60.10 2gum n THR 313 Cb 0.57 0.15 -0.10 0.00 -1.82 0.00 0.00 70.33 69.12 2gum n THR 313 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2gum s TYR 314 N -1.86 2.71 0.56 -1.42 1.51 -1.26 -5.10 117.35 112.48 2gum s TYR 314 Ca 0.27 -0.17 -0.21 0.00 -1.01 0.00 0.00 57.07 55.94 2gum s TYR 314 Cb 0.19 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2gum s TYR 314 CO 0.09 0.43 1.36 0.00 -1.11 0.00 0.00 175.55 176.32 2gum s ALA 315 N -1.23 2.78 0.29 3.71 0.00 -1.26 -4.87 121.76 121.17 2gum s ALA 315 Ca 0.21 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.56 2gum s ALA 315 Cb -0.11 -3.58 0.73 0.00 0.00 0.00 0.00 23.12 20.16 2gum s ALA 315 CO 0.13 -1.43 1.69 0.00 0.00 0.00 0.00 175.76 176.15 2gum h ALA 316 N 1.36 1.42 0.00 0.00 0.00 -1.99 -1.38 119.26 118.68 2gum h ALA 316 Ca -0.51 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2gum h ALA 316 Cb 1.31 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2gum h ALA 316 CO 0.57 -0.35 0.00 0.38 0.00 0.00 0.00 179.25 179.85 2gum h ASP 317 N 0.38 0.00 1.12 0.00 2.03 -2.03 -1.83 116.42 116.09 2gum h ASP 317 Ca 0.56 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.69 2gum h ASP 317 Cb 1.06 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.54 2gum h ASP 317 CO -0.54 0.00 -0.78 0.03 -1.03 0.00 0.00 179.24 176.92 2gum h ARG 318 N 0.00 0.00 -6.30 4.15 3.08 -1.57 -3.46 114.38 110.29 2gum h ARG 318 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2gum h ARG 318 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2gum h ARG 318 CO 0.00 0.78 -0.19 0.12 -1.07 0.00 0.00 179.97 179.61 2gum s PHE 319 N -2.91 3.48 -0.19 3.04 5.36 -0.69 -2.09 117.98 123.98 2gum s PHE 319 Ca 0.02 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 56.64 2gum s PHE 319 Cb 0.09 -2.17 0.06 0.00 -0.34 0.00 0.00 43.02 40.66 2gum s PHE 319 CO 0.78 0.37 0.47 0.21 -1.46 0.00 0.00 175.22 175.59 2gum s LYS 320 N -2.57 0.47 -0.17 10.12 2.47 -0.40 -5.00 119.74 124.66 2gum s LYS 320 Ca 0.43 0.84 0.01 0.00 -1.56 0.00 0.00 55.97 55.69 2gum s LYS 320 Cb -0.12 0.05 0.02 0.00 -1.46 0.00 0.00 37.83 36.31 2gum s LYS 320 CO 0.22 -0.14 -0.20 -1.14 0.16 0.00 0.00 175.35 174.24 2gum s GLN 321 N 1.26 2.98 -0.39 4.03 0.74 -1.26 -0.77 119.66 126.26 2gum s GLN 321 Ca -0.08 -0.83 -0.07 0.00 0.05 0.00 0.00 55.36 54.42 2gum s GLN 321 Cb -0.07 -2.53 0.07 0.00 1.10 0.00 0.00 33.01 31.58 2gum s GLN 321 CO -0.12 -0.16 0.20 0.08 -0.55 0.00 0.00 175.29 174.73 2gum s VAL 322 N 1.18 3.95 0.55 1.34 1.01 0.11 -4.96 120.40 123.58 2gum s VAL 322 Ca 0.02 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.45 2gum s VAL 322 Cb -0.14 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2gum s VAL 322 CO -0.10 -0.41 1.05 -1.81 0.00 0.00 0.00 175.10 173.83 2gum s ASP 323 N 1.82 6.01 -1.25 3.32 1.01 -1.26 -0.96 116.67 125.36 2gum s ASP 323 Ca 0.02 1.84 -0.02 0.00 0.71 0.00 0.00 52.55 55.09 2gum s ASP 323 Cb -0.22 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 2gum s ASP 323 CO 0.02 -1.01 0.78 0.61 0.21 0.00 0.00 175.17 175.78 2gum n GLY 324 N -0.78 -0.45 3.92 0.21 0.00 -1.15 -4.92 105.19 102.02 2gum n GLY 324 Ca 0.09 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 2gum n GLY 324 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gum s PHE 325 N -3.57 3.48 0.00 1.61 5.36 0.09 -4.79 117.98 120.17 2gum s PHE 325 Ca 0.09 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 2gum s PHE 325 Cb -0.02 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 2gum s PHE 325 CO 0.79 0.42 0.00 0.66 -1.46 0.00 0.00 175.22 175.64 2gum n TYR 326 N -0.34 0.00 0.01 10.12 4.02 -1.26 -1.51 117.16 128.20 2gum n TYR 326 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2gum n TYR 326 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2gum n TYR 326 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gum n ALA 327 N -3.00 0.00 -2.93 -0.72 0.00 -1.26 -4.94 120.51 107.66 2gum n ALA 327 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2gum n ALA 327 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2gum n ALA 327 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gum n THR 337 N -2.06 2.81 -3.85 0.00 5.66 -1.26 -5.07 114.28 110.50 2gum n THR 337 Ca 0.00 -5.47 -0.18 0.00 -3.05 0.00 0.00 64.05 55.36 2gum n THR 337 Cb 0.00 -1.30 -0.16 0.00 -1.55 0.00 0.00 70.33 67.31 2gum n THR 337 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gum s ALA 338 N -3.41 0.30 0.86 1.79 0.00 -1.26 -5.15 121.76 114.89 2gum s ALA 338 Ca 0.48 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2gum s ALA 338 Cb 0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2gum s ALA 338 CO -0.14 -0.17 0.34 -2.30 0.00 0.00 0.00 175.76 173.49 2gum n PRO 339 N 4.39 -0.02 -3.90 0.00 -0.02 -1.26 -4.95 135.00 129.24 2gum n PRO 339 Ca -0.22 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.20 2gum n PRO 339 Cb 0.50 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 2gum n PRO 339 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gum s THR 340 N -2.16 0.10 -0.73 3.45 -4.23 -0.57 -4.85 115.64 106.66 2gum s THR 340 Ca 0.59 -1.25 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 2gum s THR 340 Cb -0.27 -1.58 0.09 0.00 1.34 0.00 0.00 72.50 72.09 2gum s THR 340 CO 0.65 -0.46 0.97 -0.89 -0.54 0.00 0.00 174.62 174.35 2gum s THR 341 N -3.91 4.50 -0.17 3.99 2.01 -1.26 -0.73 115.64 120.07 2gum s THR 341 Ca 0.11 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2gum s THR 341 Cb 0.04 -4.69 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 2gum s THR 341 CO -0.06 -1.43 0.85 -0.60 -0.69 0.00 0.00 174.62 172.70 2gum s ARG 342 N 3.49 4.30 0.28 4.92 6.06 -0.14 -0.09 118.95 137.78 2gum s ARG 342 Ca 0.24 1.05 -0.04 0.00 -2.50 0.00 0.00 55.73 54.48 2gum s ARG 342 Cb -0.15 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.24 2gum s ARG 342 CO 0.04 -0.35 0.53 -0.80 -2.50 0.00 0.00 175.30 172.22 2gum s ASN 343 N 1.17 6.42 -0.23 -2.12 -0.87 -0.65 0.09 114.94 118.75 2gum s ASN 343 Ca 0.39 0.64 -0.05 0.00 -1.57 0.00 0.00 52.86 52.27 2gum s ASN 343 Cb -0.16 -2.11 0.12 0.00 -0.02 0.00 0.00 41.25 39.07 2gum s ASN 343 CO 0.12 -0.18 0.43 -0.76 -2.57 0.00 0.00 177.10 174.14 2gum s LEU 344 N -3.58 -0.74 -0.10 0.60 1.02 0.05 -2.62 118.68 113.32 2gum s LEU 344 Ca 0.43 0.67 0.01 0.00 0.02 0.00 0.00 54.13 55.25 2gum s LEU 344 Cb -0.11 1.37 -0.02 0.00 0.02 0.00 0.00 46.19 47.45 2gum s LEU 344 CO 0.30 -0.26 -0.11 -0.22 0.02 0.00 0.00 176.35 176.08 2gum s LEU 345 N 2.62 2.85 -0.33 1.79 2.96 -0.35 -1.28 118.68 126.94 2gum s LEU 345 Ca 0.07 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2gum s LEU 345 Cb -0.14 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2gum s LEU 345 CO -0.15 0.24 0.07 -0.89 -1.32 0.00 0.00 176.35 174.30 2gum s THR 346 N -0.12 3.35 0.48 3.68 2.01 -0.89 -0.61 115.64 123.56 2gum s THR 346 Ca -0.01 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.69 2gum s THR 346 Cb -0.14 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.44 2gum s THR 346 CO 0.03 -0.21 0.67 0.42 -0.69 0.00 0.00 174.62 174.84 2gum s THR 347 N 1.30 2.77 0.42 -0.82 -4.23 0.21 -4.85 115.64 110.43 2gum s THR 347 Ca -0.02 -0.90 0.19 0.00 -1.18 0.00 0.00 61.69 59.77 2gum s THR 347 Cb -0.20 -2.87 0.39 0.00 1.34 0.00 0.00 72.50 71.16 2gum s THR 347 CO 0.00 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.25 2gum h PRO 348 N 0.39 0.37 0.00 3.99 0.11 -1.98 -2.80 132.00 132.09 2gum h PRO 348 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2gum h PRO 348 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gum h PRO 348 CO 0.46 0.25 -0.65 1.63 -0.21 0.00 0.00 178.00 179.48 2gum n LYS 349 N -4.53 2.61 -3.63 1.05 5.02 -1.26 -4.31 118.16 113.10 2gum n LYS 349 Ca 0.22 -0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.48 2gum n LYS 349 Cb 0.79 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.66 2gum n LYS 349 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2gum s PHE 350 N -2.26 -0.13 -0.17 2.13 -0.12 -1.06 -3.26 117.98 113.12 2gum s PHE 350 Ca 0.05 -0.02 -0.00 0.00 -0.05 0.00 0.00 56.93 56.91 2gum s PHE 350 Cb 0.10 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 43.05 2gum s PHE 350 CO 0.54 -0.43 -0.15 0.99 -0.05 0.00 0.00 175.22 176.12 2gum s THR 351 N -2.73 2.61 -0.07 -4.49 2.01 0.16 0.63 115.64 113.76 2gum s THR 351 Ca 0.11 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2gum s THR 351 Cb 0.01 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2gum s THR 351 CO -0.03 0.51 -0.17 0.54 -0.69 0.00 0.00 174.62 174.77 2gum s VAL 352 N 1.00 2.77 0.05 3.82 0.11 0.22 0.26 120.40 128.64 2gum s VAL 352 Ca -0.02 -0.81 0.08 0.00 -2.93 0.00 0.00 61.98 58.30 2gum s VAL 352 Cb -0.15 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2gum s VAL 352 CO -0.03 0.57 -0.22 0.00 -3.33 0.00 0.00 175.10 172.09 2gum s ALA 353 N -0.33 1.84 -0.20 1.54 0.00 -0.20 -1.21 121.76 123.20 2gum s ALA 353 Ca 0.02 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 2gum s ALA 353 Cb -0.13 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.71 2gum s ALA 353 CO 0.02 0.41 0.68 1.67 0.00 0.00 0.00 175.76 178.55 2gum s TRP 354 N -0.85 -0.72 0.04 0.00 -2.14 -1.08 -0.96 118.94 113.24 2gum s TRP 354 Ca 0.08 1.64 -0.30 0.00 2.66 0.00 0.00 56.10 60.18 2gum s TRP 354 Cb -0.09 0.29 -0.07 0.00 -3.10 0.00 0.00 33.47 30.49 2gum s TRP 354 CO 0.02 -0.42 1.60 -0.51 -2.66 0.00 0.00 176.95 174.98 2gum s ASP 355 N -0.04 6.66 0.39 -2.66 1.01 -1.26 -1.64 116.67 119.13 2gum s ASP 355 Ca -0.03 2.39 -0.24 0.00 0.71 0.00 0.00 52.55 55.38 2gum s ASP 355 Cb -0.04 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2gum s ASP 355 CO 0.03 -0.86 1.02 0.86 0.21 0.00 0.00 175.17 176.43 2gum s TRP 356 N 2.72 3.33 -0.03 4.23 -0.00 0.87 -4.93 118.94 125.14 2gum s TRP 356 Ca 0.72 1.66 -0.15 0.00 -0.00 0.00 0.00 56.10 58.33 2gum s TRP 356 Cb -0.38 -3.06 0.02 0.00 -0.00 0.00 0.00 33.47 30.06 2gum s TRP 356 CO 0.31 -0.44 0.32 0.14 -0.00 0.00 0.00 176.95 177.28 2gum s VAL 357 N -1.72 0.05 0.38 5.86 -7.23 -1.26 -4.62 120.40 111.86 2gum s VAL 357 Ca 0.57 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 60.05 2gum s VAL 357 Cb -0.20 -0.61 -0.11 0.00 0.56 0.00 0.00 36.38 36.03 2gum s VAL 357 CO 0.25 -0.23 1.47 -2.16 -0.31 0.00 0.00 175.10 174.11 2gum s PRO 358 N -1.17 4.08 0.02 4.82 0.04 -1.26 -4.76 135.00 136.76 2gum s PRO 358 Ca -0.12 2.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 2gum s PRO 358 Cb -0.05 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 2gum s PRO 358 CO 0.04 -0.54 1.13 -0.22 0.04 0.00 0.00 177.00 177.45 2gum h LYS 359 N 2.95 -0.40 0.00 4.56 3.64 -1.97 -3.13 116.57 122.21 2gum h LYS 359 Ca -0.51 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2gum h LYS 359 Cb 1.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2gum h LYS 359 CO 0.64 -0.26 0.00 0.54 -2.27 0.00 0.00 179.45 178.09 2gum n ARG 360 N -3.14 0.00 0.15 1.90 5.12 -1.26 -0.60 116.66 118.82 2gum n ARG 360 Ca -0.05 0.41 0.03 0.00 -1.93 0.00 0.00 57.85 56.31 2gum n ARG 360 Cb 0.16 -0.65 0.42 0.00 -1.16 0.00 0.00 32.46 31.23 2gum n ARG 360 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2gum h PRO 361 N 0.00 0.17 0.26 5.56 0.11 -1.94 -3.29 132.00 132.87 2gum h PRO 361 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2gum h PRO 361 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2gum h PRO 361 CO 0.00 0.32 -0.13 0.77 -0.21 0.00 0.00 178.00 178.75 2gum h SER 362 N 0.16 -0.30 -2.25 -2.05 0.02 -0.80 -3.45 113.55 104.89 2gum h SER 362 Ca 0.03 -0.04 -0.48 0.00 -0.84 0.00 0.00 61.79 60.46 2gum h SER 362 Cb 0.35 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2gum h SER 362 CO 0.02 -0.16 -0.46 0.68 -1.14 0.00 0.00 176.83 175.78 2gum s VAL 363 N -5.86 5.05 -0.05 2.27 -7.23 -0.69 -5.08 120.40 108.81 2gum s VAL 363 Ca -0.15 -1.06 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2gum s VAL 363 Cb 0.04 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.27 2gum s VAL 363 CO 0.63 -0.30 0.17 0.00 -0.31 0.00 0.00 175.10 175.29 2gum n THR 365 N 2.56 0.09 -4.29 0.00 5.66 -1.26 -4.82 114.28 112.23 2gum n THR 365 Ca -0.15 -0.39 -0.16 0.00 -3.05 0.00 0.00 64.05 60.30 2gum n THR 365 Cb 0.58 0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 70.07 2gum n THR 365 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2gum s MET 366 N -1.91 1.18 -0.03 1.09 -1.94 -1.26 -1.73 119.30 114.70 2gum s MET 366 Ca 0.34 -1.54 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 2gum s MET 366 Cb 0.20 -0.66 0.01 0.00 2.01 0.00 0.00 34.83 36.40 2gum s MET 366 CO 0.31 0.02 -0.04 0.99 -0.01 0.00 0.00 175.02 176.29 2gum s THR 367 N -3.33 0.45 0.18 2.05 2.01 0.20 -4.55 115.64 112.65 2gum s THR 367 Ca 0.21 -0.13 -0.32 0.00 0.31 0.00 0.00 61.69 61.76 2gum s THR 367 Cb 0.03 -0.45 -0.11 0.00 0.01 0.00 0.00 72.50 71.99 2gum s THR 367 CO 0.04 0.18 1.68 -0.75 -0.69 0.00 0.00 174.62 175.07 2gum s LYS 368 N 0.53 4.16 -0.06 4.92 2.20 -1.26 -0.91 119.74 129.32 2gum s LYS 368 Ca -0.06 2.51 -0.06 0.00 -0.36 0.00 0.00 55.97 58.00 2gum s LYS 368 Cb -0.10 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2gum s LYS 368 CO -0.00 -0.71 -0.13 1.87 -0.36 0.00 0.00 175.35 176.02 2gum n TRP 369 N 4.28 0.00 -4.45 4.03 -0.00 0.16 -4.87 117.44 116.59 2gum n TRP 369 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.44 2gum n TRP 369 Cb 0.37 -0.28 -0.16 0.00 -0.00 0.00 0.00 31.31 31.24 2gum n TRP 369 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2gum s GLN 370 N -2.24 1.11 -0.36 5.87 -1.52 -0.92 -4.97 119.66 116.63 2gum s GLN 370 Ca -0.12 -0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 52.83 2gum s GLN 370 Cb 0.04 -1.02 0.02 0.00 -0.22 0.00 0.00 33.01 31.83 2gum s GLN 370 CO 0.17 0.12 0.20 -1.21 -0.25 0.00 0.00 175.29 174.31 2gum s GLU 371 N 0.23 3.01 -0.29 2.91 2.02 -1.26 -0.37 118.70 124.95 2gum s GLU 371 Ca -0.04 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 2gum s GLU 371 Cb -0.10 -3.70 0.02 0.00 0.10 0.00 0.00 34.13 30.45 2gum s GLU 371 CO 0.01 -0.61 0.05 0.08 0.02 0.00 0.00 175.26 174.81 2gum s VAL 372 N 1.58 3.72 0.08 2.63 1.01 0.12 -5.00 120.40 124.55 2gum s VAL 372 Ca 0.03 -0.80 -0.37 0.00 0.00 0.00 0.00 61.98 60.84 2gum s VAL 372 Cb -0.18 -2.93 -0.18 0.00 0.00 0.00 0.00 36.38 33.08 2gum s VAL 372 CO 0.07 0.08 1.57 0.44 0.00 0.00 0.00 175.10 177.26 2gum h ASP 373 N 8.18 -1.31 -3.97 3.32 5.19 -1.89 -1.85 116.42 124.09 2gum h ASP 373 Ca -0.31 0.09 -0.70 0.00 -0.62 0.00 0.00 57.03 55.49 2gum h ASP 373 Cb 1.12 0.41 -0.34 0.00 0.18 0.00 0.00 39.33 40.69 2gum h ASP 373 CO 0.60 -0.72 -0.37 -1.61 -3.12 0.00 0.00 179.24 174.02 2gum s GLU 374 N -5.91 2.54 -0.34 3.56 2.02 -1.26 -4.24 118.70 115.07 2gum s GLU 374 Ca -0.19 -2.38 -0.07 0.00 0.02 0.00 0.00 54.97 52.35 2gum s GLU 374 Cb 0.04 -3.76 0.03 0.00 0.10 0.00 0.00 34.13 30.54 2gum s GLU 374 CO 0.60 -1.17 0.13 1.41 0.02 0.00 0.00 175.26 176.25 2gum s MET 375 N 0.21 2.71 0.17 1.61 1.75 -0.37 -4.32 119.30 121.06 2gum s MET 375 Ca 0.15 -1.13 -0.24 0.00 -1.25 0.00 0.00 55.69 53.22 2gum s MET 375 Cb -0.20 -3.51 -0.08 0.00 2.84 0.00 0.00 34.83 33.87 2gum s MET 375 CO -0.04 -0.65 0.76 -0.51 -0.65 0.00 0.00 175.02 173.93 2gum s LEU 376 N 1.44 4.54 -0.00 4.11 1.43 -0.44 -2.52 118.68 127.24 2gum s LEU 376 Ca -0.01 1.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 2gum s LEU 376 Cb -0.19 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 2gum s LEU 376 CO 0.04 0.18 -0.19 -0.60 0.23 0.00 0.00 176.35 176.00 2gum s ARG 377 N -1.32 1.47 0.14 1.70 3.52 -0.40 -0.89 118.95 123.18 2gum s ARG 377 Ca 0.37 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 55.14 2gum s ARG 377 Cb -0.22 -1.46 -0.00 0.00 -1.56 0.00 0.00 34.95 31.72 2gum s ARG 377 CO 0.25 0.39 0.28 -1.54 -0.81 0.00 0.00 175.30 173.87 2gum s SER 378 N -0.62 0.02 -0.02 -2.12 1.04 -0.55 -0.20 113.70 111.27 2gum s SER 378 Ca 0.07 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.81 2gum s SER 378 Cb -0.08 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2gum s SER 378 CO -0.00 -0.85 -0.13 -0.70 0.98 0.00 0.00 173.24 172.54 2gum s GLU 379 N -3.91 1.09 -0.24 4.02 -6.30 -1.26 -0.26 118.70 111.83 2gum s GLU 379 Ca 0.12 -0.45 -0.26 0.00 -2.50 0.00 0.00 54.97 51.88 2gum s GLU 379 Cb 0.03 -1.04 0.10 0.00 0.00 0.00 0.00 34.13 33.23 2gum s GLU 379 CO -0.05 0.25 0.90 -0.47 0.02 0.00 0.00 175.26 175.91 2gum s TYR 380 N -0.19 -0.57 -1.44 5.30 5.04 -0.79 -4.94 117.35 119.76 2gum s TYR 380 Ca 0.03 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 2gum s TYR 380 Cb -0.06 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.60 2gum s TYR 380 CO -0.00 -0.32 0.00 0.41 -1.34 0.00 0.00 175.55 174.30 2gum n GLY 381 N 2.05 -0.04 2.97 8.97 0.00 -1.26 -2.70 105.19 115.18 2gum n GLY 381 Ca -0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2gum n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 382 N -1.01 -0.10 3.35 -0.02 0.00 -1.26 -5.02 105.19 101.12 2gum n GLY 382 Ca -0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2gum n GLY 382 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gum s SER 383 N -3.22 -0.36 -0.01 1.61 0.15 -1.10 -4.41 113.70 106.37 2gum s SER 383 Ca 0.41 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 57.19 2gum s SER 383 Cb -0.18 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2gum s SER 383 CO 0.51 -0.57 0.32 -0.36 1.20 0.00 0.00 173.24 174.34 2gum s PHE 384 N -1.71 3.65 -0.17 3.44 0.08 0.23 -1.89 117.98 121.61 2gum s PHE 384 Ca -0.10 0.78 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2gum s PHE 384 Cb -0.02 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2gum s PHE 384 CO 0.03 0.63 -0.19 1.03 -0.10 0.00 0.00 175.22 176.63 2gum s ARG 385 N -1.36 3.03 -0.32 0.44 3.00 0.64 -1.34 118.95 123.05 2gum s ARG 385 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 55.73 55.11 2gum s ARG 385 Cb -0.14 -2.57 0.04 0.00 0.00 0.00 0.00 34.95 32.27 2gum s ARG 385 CO 0.13 -0.16 0.06 -0.06 0.00 0.00 0.00 175.30 175.27 2gum s PHE 386 N 1.18 3.24 -0.10 -0.53 0.40 -0.15 -1.48 117.98 120.54 2gum s PHE 386 Ca 0.02 -1.53 0.02 0.00 -0.60 0.00 0.00 56.93 54.84 2gum s PHE 386 Cb -0.14 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 2gum s PHE 386 CO -0.09 -0.74 -0.16 -1.54 0.70 0.00 0.00 175.22 173.39 2gum s SER 387 N 1.36 3.79 -0.25 1.36 1.04 -0.07 0.55 113.70 121.48 2gum s SER 387 Ca -0.02 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 2gum s SER 387 Cb -0.19 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.68 2gum s SER 387 CO 0.01 0.22 -0.08 -0.55 0.98 0.00 0.00 173.24 173.82 2gum s SER 388 N 0.00 4.32 0.29 7.02 0.15 0.37 -1.33 113.70 124.52 2gum s SER 388 Ca -0.05 -1.07 -0.00 0.00 0.70 0.00 0.00 55.95 55.53 2gum s SER 388 Cb -0.14 -1.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.97 2gum s SER 388 CO 0.04 -0.15 1.82 -0.78 1.20 0.00 0.00 173.24 175.37 2gum h ASP 389 N 7.93 0.71 -0.59 5.45 1.82 -1.87 -0.56 116.42 129.33 2gum h ASP 389 Ca -0.28 -0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 56.15 2gum h ASP 389 Cb 1.08 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 2gum h ASP 389 CO 0.54 0.73 0.11 0.00 -1.61 0.00 0.00 179.24 179.02 2gum h ALA 390 N 1.36 1.03 -0.35 -0.78 0.00 -1.94 -3.12 119.26 115.46 2gum h ALA 390 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gum h ALA 390 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2gum h ALA 390 CO 0.00 0.62 0.00 0.44 0.00 0.00 0.00 179.25 180.32 2gum n ILE 391 N -4.23 0.94 -3.70 0.00 -5.35 -1.19 -5.00 119.36 100.83 2gum n ILE 391 Ca 0.04 -0.97 -0.32 0.00 -0.27 0.00 0.00 62.75 61.23 2gum n ILE 391 Cb 0.27 0.54 0.04 0.00 -1.74 0.00 0.00 39.64 38.76 2gum n ILE 391 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2gum n SER 392 N 0.59 -5.22 -3.83 7.28 7.64 -0.26 -5.00 113.62 114.83 2gum n SER 392 Ca 0.12 -1.03 -0.13 0.00 1.01 0.00 0.00 58.87 58.84 2gum n SER 392 Cb 0.43 -3.30 -0.14 0.00 -1.01 0.00 0.00 64.21 60.19 2gum n SER 392 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gum s THR 393 N -3.47 -0.01 -0.19 0.44 2.01 -0.95 -4.22 115.64 109.25 2gum s THR 393 Ca 0.47 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.52 2gum s THR 393 Cb -0.17 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.27 2gum s THR 393 CO 0.87 0.02 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.79 2gum s THR 394 N 0.23 1.75 0.13 -0.82 2.01 -0.89 -0.48 115.64 117.57 2gum s THR 394 Ca -0.02 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 2gum s THR 394 Cb -0.03 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 2gum s THR 394 CO -0.01 0.28 0.34 -0.36 -0.69 0.00 0.00 174.62 174.18 2gum s PHE 395 N 1.37 3.48 -0.08 4.92 0.40 0.19 -4.72 117.98 123.55 2gum s PHE 395 Ca 0.01 0.46 0.04 0.00 -0.60 0.00 0.00 56.93 56.84 2gum s PHE 395 Cb -0.15 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 2gum s PHE 395 CO -0.09 0.46 -0.21 0.99 0.70 0.00 0.00 175.22 177.08 2gum s THR 396 N -1.64 2.43 0.18 0.64 2.01 -1.26 -0.98 115.64 117.02 2gum s THR 396 Ca 0.39 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 2gum s THR 396 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 2gum s THR 396 CO 0.26 0.56 0.33 0.42 -0.69 0.00 0.00 174.62 175.50 2gum s THR 397 N 0.00 0.05 0.84 -0.82 -4.23 -0.45 -1.60 115.64 109.43 2gum s THR 397 Ca -0.07 -1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 2gum s THR 397 Cb -0.15 -1.93 0.10 0.00 1.34 0.00 0.00 72.50 71.85 2gum s THR 397 CO 0.05 -0.21 1.13 0.20 -0.54 0.00 0.00 174.62 175.25 2gum s ASN 398 N -2.98 4.15 0.28 3.99 0.01 -1.26 0.75 114.94 119.88 2gum s ASN 398 Ca 0.19 1.07 0.26 0.00 -0.71 0.00 0.00 52.86 53.66 2gum s ASN 398 Cb 0.02 -1.70 0.84 0.00 0.41 0.00 0.00 41.25 40.82 2gum s ASN 398 CO 0.02 -2.16 1.75 -0.07 -1.51 0.00 0.00 177.10 175.14 2gum h LEU 399 N -1.23 0.00 -9.25 0.60 3.38 -1.91 -3.39 115.31 103.51 2gum h LEU 399 Ca -0.48 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.91 2gum h LEU 399 Cb 1.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 2gum h LEU 399 CO 0.62 0.00 -0.05 -0.89 0.09 0.00 0.00 178.44 178.21 2gum s THR 400 N -3.22 5.13 0.92 0.22 2.01 -1.26 -5.04 115.64 114.39 2gum s THR 400 Ca 0.08 1.05 -0.11 0.00 0.31 0.00 0.00 61.69 63.01 2gum s THR 400 Cb 0.10 -3.87 0.10 0.00 0.01 0.00 0.00 72.50 68.85 2gum s THR 400 CO 0.55 0.25 0.87 -0.62 -0.69 0.00 0.00 174.62 174.98 2gum n GLU 401 N 4.15 -0.36 -3.78 4.92 1.02 -1.26 -4.84 120.64 120.49 2gum n GLU 401 Ca -0.05 -0.05 -0.36 0.00 -0.02 0.00 0.00 57.16 56.68 2gum n GLU 401 Cb 0.51 -2.18 -0.10 0.00 -0.02 0.00 0.00 31.44 29.64 2gum n GLU 401 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2gum s TYR 402 N -2.51 3.24 -0.45 -0.32 5.04 0.14 -4.97 117.35 117.51 2gum s TYR 402 Ca 0.64 0.03 -0.26 0.00 -2.44 0.00 0.00 57.07 55.04 2gum s TYR 402 Cb -0.23 -2.22 -0.07 0.00 0.35 0.00 0.00 41.96 39.80 2gum s TYR 402 CO 0.61 -0.02 2.37 -2.14 -1.34 0.00 0.00 175.55 175.03 2gum s PRO 403 N 1.04 2.25 0.45 4.97 0.02 -1.26 -4.71 135.00 137.76 2gum s PRO 403 Ca 0.06 1.48 0.20 0.00 0.02 0.00 0.00 61.00 62.76 2gum s PRO 403 Cb -0.14 -4.55 1.17 0.00 0.02 0.00 0.00 34.50 31.00 2gum s PRO 403 CO 0.04 -3.11 1.87 1.25 -0.33 0.00 0.00 177.00 176.73 2gum h LEU 404 N 18.92 0.31 -1.41 -5.54 5.85 -1.95 0.47 115.31 131.96 2gum h LEU 404 Ca -0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2gum h LEU 404 Cb 1.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2gum h LEU 404 CO 1.13 0.13 0.00 0.77 -0.34 0.00 0.00 178.44 180.13 2gum h SER 405 N 0.31 0.00 0.52 1.25 4.64 -1.96 -1.20 113.55 117.10 2gum h SER 405 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2gum h SER 405 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2gum h SER 405 CO -0.13 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.69 2gum n ARG 406 N -2.81 0.37 -2.87 4.77 0.63 0.16 -4.66 116.66 112.25 2gum n ARG 406 Ca 0.01 0.03 -0.43 0.00 -0.92 0.00 0.00 57.85 56.54 2gum n ARG 406 Cb 0.25 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.61 2gum n ARG 406 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2gum s VAL 407 N -2.59 4.54 -0.54 5.15 1.01 -0.46 -2.73 120.40 124.78 2gum s VAL 407 Ca 0.25 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 2gum s VAL 407 Cb 0.18 -4.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 2gum s VAL 407 CO 0.41 -0.77 2.42 -0.67 0.00 0.00 0.00 175.10 176.48 2gum n ASP 408 N 6.99 1.96 0.00 3.32 -0.08 -0.50 -2.10 116.55 126.13 2gum n ASP 408 Ca 0.05 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2gum n ASP 408 Cb 0.48 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.56 2gum n ASP 408 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2gum n LEU 409 N 13.31 0.39 -2.51 -2.67 4.77 -1.26 -4.43 117.00 124.59 2gum n LEU 409 Ca 0.43 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 2gum n LEU 409 Cb 0.37 -0.89 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 2gum n LEU 409 CO 0.76 -0.28 1.72 0.61 -1.33 0.00 0.00 177.39 178.87 2gum n GLY 410 N -1.75 2.71 0.11 -0.72 0.00 -0.89 -4.02 105.19 100.62 2gum n GLY 410 Ca 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.26 2gum n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gum n ASP 411 N 3.12 0.73 0.11 1.61 8.00 -1.26 -3.40 116.55 125.46 2gum n ASP 411 Ca 0.37 0.60 -0.03 0.00 0.71 0.00 0.00 54.79 56.45 2gum n ASP 411 Cb 0.47 -0.79 0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2gum n ASP 411 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gum h ILE 413 N 0.00 0.00 -0.91 0.00 2.04 -1.92 0.47 117.51 117.20 2gum h ILE 413 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2gum h ILE 413 Cb 1.36 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 2gum h ILE 413 CO 0.10 0.00 0.51 1.23 0.00 0.00 0.00 178.15 179.99 2gum h GLY 414 N -0.25 1.50 0.66 5.37 0.00 -1.80 0.37 103.07 108.92 2gum h GLY 414 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2gum h GLY 414 CO -0.17 0.01 -0.32 0.50 0.00 0.00 0.00 176.54 176.56 2gum h LYS 415 N 0.73 -0.85 -0.71 4.80 1.57 -1.64 -2.57 116.57 117.90 2gum h LYS 415 Ca 0.49 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.44 2gum h LYS 415 Cb 0.65 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 2gum h LYS 415 CO -0.34 -0.57 0.31 -0.44 -0.57 0.00 0.00 179.45 177.84 2gum h ASP 416 N -1.06 0.34 -0.24 0.86 3.32 -0.71 -0.56 116.42 118.36 2gum h ASP 416 Ca -0.09 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2gum h ASP 416 Cb 0.68 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 2gum h ASP 416 CO 0.15 0.17 -0.09 0.00 -1.72 0.00 0.00 179.24 177.75 2gum h ALA 417 N 1.48 0.13 -0.29 3.45 0.00 -0.96 0.09 119.26 123.16 2gum h ALA 417 Ca 0.37 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2gum h ALA 417 Cb 0.49 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2gum h ALA 417 CO -0.33 -0.50 0.08 -0.09 0.00 0.00 0.00 179.25 178.41 2gum h ARG 418 N -0.04 0.45 -0.04 0.00 2.43 -0.94 0.52 114.38 116.75 2gum h ARG 418 Ca 0.12 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2gum h ARG 418 Cb 0.22 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2gum h ARG 418 CO -0.27 0.51 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.04 2gum h ASP 419 N 0.30 -0.66 0.55 -3.80 5.19 -0.76 0.62 116.42 117.87 2gum h ASP 419 Ca 0.09 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 2gum h ASP 419 Cb 0.26 0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.05 2gum h ASP 419 CO -0.00 -0.28 -0.27 0.00 -3.12 0.00 0.00 179.24 175.57 2gum h ALA 420 N 0.58 -0.75 -0.69 3.45 0.00 -0.86 -2.01 119.26 118.98 2gum h ALA 420 Ca 0.07 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.94 2gum h ALA 420 Cb 0.43 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 2gum h ALA 420 CO -0.23 -0.86 -0.11 1.98 0.00 0.00 0.00 179.25 180.03 2gum h MET 421 N -0.87 0.03 -0.40 0.00 -1.53 0.20 -0.63 114.93 111.74 2gum h MET 421 Ca -0.08 -0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.13 2gum h MET 421 Cb 0.62 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.65 2gum h MET 421 CO 0.13 0.02 0.07 -0.44 0.14 0.00 0.00 176.91 176.82 2gum h ASP 422 N 0.03 0.63 -0.62 1.39 3.32 -0.82 -0.71 116.42 119.65 2gum h ASP 422 Ca 0.35 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.19 2gum h ASP 422 Cb 0.56 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2gum h ASP 422 CO -0.68 0.73 0.34 -0.09 -1.72 0.00 0.00 179.24 177.82 2gum h ARG 423 N 0.51 0.63 -0.25 3.56 2.43 -0.49 -1.23 114.38 119.54 2gum h ARG 423 Ca 0.12 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2gum h ARG 423 Cb 0.37 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2gum h ARG 423 CO 0.01 0.42 -0.11 0.82 -1.51 0.00 0.00 179.97 179.59 2gum h ILE 424 N 0.65 1.30 -0.40 1.20 2.04 -1.03 -1.36 117.51 119.90 2gum h ILE 424 Ca 0.27 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 65.02 2gum h ILE 424 Cb 0.15 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 2gum h ILE 424 CO -0.16 0.37 0.06 0.15 0.00 0.00 0.00 178.15 178.56 2gum h PHE 425 N 0.24 0.09 0.38 1.37 3.57 -0.80 0.71 116.94 122.50 2gum h PHE 425 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2gum h PHE 425 Cb 0.61 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2gum h PHE 425 CO 0.06 -0.01 -0.23 0.00 -2.23 0.00 0.00 178.31 175.90 2gum h ALA 426 N 1.32 -1.08 -0.76 2.41 0.00 -1.14 0.55 119.26 120.55 2gum h ALA 426 Ca 0.20 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.21 2gum h ALA 426 Cb 0.25 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2gum h ALA 426 CO -0.27 -1.06 0.55 -0.09 0.00 0.00 0.00 179.25 178.38 2gum h ARG 427 N -0.57 0.00 0.00 0.00 2.43 -1.05 -3.35 114.38 111.84 2gum h ARG 427 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2gum h ARG 427 Cb 0.46 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2gum h ARG 427 CO 0.05 0.00 -0.64 -2.13 -1.51 0.00 0.00 179.97 175.74 2gum n ARG 428 N -4.31 2.47 0.00 0.20 0.63 0.23 -4.94 116.66 110.93 2gum n ARG 428 Ca 0.15 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.10 2gum n ARG 428 Cb 0.83 -0.82 -0.01 0.00 0.45 0.00 0.00 32.46 32.91 2gum n ARG 428 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gum n TYR 429 N -1.34 0.00 -0.25 -0.14 4.02 0.17 -4.72 117.16 114.89 2gum n TYR 429 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.09 2gum n TYR 429 Cb 0.24 0.00 0.52 0.00 -0.02 0.00 0.00 39.34 40.09 2gum n TYR 429 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 2gum h ASN 430 N 0.08 0.39 -0.29 7.72 -1.07 -1.03 0.46 115.58 121.84 2gum h ASN 430 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.42 2gum h ASN 430 Cb 0.07 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 2gum h ASN 430 CO 0.00 0.14 0.00 0.00 0.07 0.00 0.00 177.43 177.64 2gum n ALA 431 N -2.52 2.46 -0.14 4.14 0.00 -1.26 -4.48 120.51 118.71 2gum n ALA 431 Ca 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2gum n ALA 431 Cb 0.74 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2gum n ALA 431 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gum n THR 432 N 0.94 0.00 -4.23 0.00 -1.04 -0.54 -5.01 114.28 104.40 2gum n THR 432 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 2gum n THR 432 Cb 0.47 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.30 2gum n THR 432 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2gum s HIS 433 N 0.00 1.17 0.01 -1.42 3.76 0.15 -0.71 115.29 118.24 2gum s HIS 433 Ca 0.00 -1.02 0.05 0.00 -0.15 0.00 0.00 55.06 53.94 2gum s HIS 433 Cb 0.00 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 2gum s HIS 433 CO 0.00 -0.22 -0.15 0.42 -0.85 0.00 0.00 174.74 173.94 2gum s ILE 434 N -3.67 1.20 0.54 0.60 1.09 0.16 -4.50 121.20 116.61 2gum s ILE 434 Ca 0.23 -0.77 -0.19 0.00 -1.10 0.00 0.00 60.65 58.82 2gum s ILE 434 Cb 0.06 -1.02 -0.06 0.00 -1.06 0.00 0.00 42.46 40.38 2gum s ILE 434 CO 0.03 0.24 1.11 -0.54 -0.10 0.00 0.00 174.94 175.69 2gum s LYS 435 N -0.60 3.40 -0.22 2.79 1.02 -1.26 -1.59 119.74 123.27 2gum s LYS 435 Ca 0.05 1.55 -0.01 0.00 0.02 0.00 0.00 55.97 57.58 2gum s LYS 435 Cb -0.06 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 2gum s LYS 435 CO 0.00 -0.80 0.02 0.08 -0.92 0.00 0.00 175.35 173.73 2gum s VAL 436 N -1.85 0.91 0.00 3.17 1.01 -0.71 -4.89 120.40 118.04 2gum s VAL 436 Ca 0.71 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2gum s VAL 436 Cb -0.22 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2gum s VAL 436 CO 0.27 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2gum n GLY 437 N 4.89 -2.09 3.94 4.51 0.00 -1.26 -4.26 105.19 110.93 2gum n GLY 437 Ca -0.09 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 2gum n GLY 437 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gum s GLN 438 N -0.03 3.49 0.28 1.61 0.00 -1.26 -4.92 119.66 118.82 2gum s GLN 438 Ca 0.00 -0.42 -0.30 0.00 -0.00 0.00 0.00 55.36 54.64 2gum s GLN 438 Cb 0.00 -2.75 -0.13 0.00 0.00 0.00 0.00 33.01 30.13 2gum s GLN 438 CO 0.00 0.27 1.40 -2.30 0.00 0.00 0.00 175.29 174.66 2gum n PRO 439 N -1.39 2.17 -4.28 9.60 -0.02 -1.26 -4.81 135.00 135.00 2gum n PRO 439 Ca -0.06 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 61.91 2gum n PRO 439 Cb 0.56 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 2gum n PRO 439 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2gum s GLN 440 N -0.91 2.00 -0.06 -0.52 -0.21 0.39 -4.93 119.66 115.42 2gum s GLN 440 Ca 0.63 -1.18 0.04 0.00 0.02 0.00 0.00 55.36 54.87 2gum s GLN 440 Cb -0.60 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.23 2gum s GLN 440 CO 0.54 0.47 -0.17 0.71 -2.12 0.00 0.00 175.29 174.72 2gum s TYR 441 N -1.42 1.74 0.06 0.91 1.51 -1.26 0.17 117.35 119.06 2gum s TYR 441 Ca 0.22 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2gum s TYR 441 Cb -0.10 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2gum s TYR 441 CO 0.13 -0.23 -0.09 0.71 -1.11 0.00 0.00 175.55 174.96 2gum s TYR 442 N 0.25 0.81 -0.24 2.71 1.51 -0.22 0.27 117.35 122.44 2gum s TYR 442 Ca -0.09 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.36 2gum s TYR 442 Cb -0.13 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 2gum s TYR 442 CO 0.03 -0.06 0.10 -1.14 -1.11 0.00 0.00 175.55 173.37 2gum s GLN 443 N -1.85 3.82 0.14 -0.62 0.74 -1.26 0.36 119.66 120.99 2gum s GLN 443 Ca -0.06 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 54.97 2gum s GLN 443 Cb -0.08 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2gum s GLN 443 CO 0.00 -0.05 0.26 0.00 -0.55 0.00 0.00 175.29 174.95 2gum s ALA 444 N 1.29 3.94 0.46 1.58 0.00 0.14 -4.47 121.76 124.70 2gum s ALA 444 Ca 0.05 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 2gum s ALA 444 Cb -0.15 -1.76 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 2gum s ALA 444 CO 0.04 0.58 1.09 0.09 0.00 0.00 0.00 175.76 177.57 2gum n ASN 445 N -0.41 1.61 0.00 0.00 3.02 -0.63 -1.55 115.26 117.31 2gum n ASN 445 Ca -0.07 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2gum n ASN 445 Cb 0.54 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 2gum n ASN 445 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gum n GLY 446 N 1.07 0.61 1.59 7.41 0.00 -1.26 -4.33 105.19 110.29 2gum n GLY 446 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 2gum n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 447 N -2.00 0.85 3.48 -0.02 0.00 -0.60 -1.06 105.19 105.85 2gum n GLY 447 Ca 0.00 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2gum n GLY 447 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gum s PHE 448 N -2.82 3.05 -0.23 1.61 0.40 -1.07 -4.26 117.98 114.66 2gum s PHE 448 Ca 0.00 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 2gum s PHE 448 Cb -0.00 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2gum s PHE 448 CO 0.00 -0.15 0.51 -1.17 0.70 0.00 0.00 175.22 175.11 2gum s LEU 449 N 0.76 4.09 -0.24 -0.37 2.96 -0.74 0.25 118.68 125.40 2gum s LEU 449 Ca -0.00 0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2gum s LEU 449 Cb -0.14 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2gum s LEU 449 CO 0.02 -0.23 0.01 -0.63 -1.32 0.00 0.00 176.35 174.20 2gum s ILE 450 N 1.98 3.75 -0.21 6.68 1.01 0.16 -0.55 121.20 134.01 2gum s ILE 450 Ca 0.22 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2gum s ILE 450 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 2gum s ILE 450 CO 0.09 0.34 0.53 0.00 0.00 0.00 0.00 174.94 175.90 2gum s ALA 451 N 1.52 3.55 -0.06 9.38 0.00 -0.17 -1.06 121.76 134.93 2gum s ALA 451 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2gum s ALA 451 Cb -0.15 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.14 2gum s ALA 451 CO -0.00 -0.49 -0.12 -0.47 0.00 0.00 0.00 175.76 174.68 2gum s TYR 452 N 1.75 1.38 -0.36 0.00 5.04 0.13 -1.21 117.35 124.07 2gum s TYR 452 Ca 0.24 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.41 2gum s TYR 452 Cb -0.15 -1.01 0.10 0.00 0.35 0.00 0.00 41.96 41.25 2gum s TYR 452 CO 0.10 -0.24 0.11 -1.14 -1.34 0.00 0.00 175.55 173.03 2gum s GLN 453 N 0.57 1.72 0.67 4.97 2.00 0.06 -0.46 119.66 129.19 2gum s GLN 453 Ca -0.12 -1.83 -0.17 0.00 -2.00 0.00 0.00 55.36 51.23 2gum s GLN 453 Cb -0.15 -3.35 -0.00 0.00 0.80 0.00 0.00 33.01 30.31 2gum s GLN 453 CO 0.03 -0.98 1.22 -2.30 -0.50 0.00 0.00 175.29 172.76 2gum n PRO 454 N 4.39 0.93 -4.35 1.67 -0.02 -1.26 -1.51 135.00 134.85 2gum n PRO 454 Ca 0.01 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.65 2gum n PRO 454 Cb 0.42 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 2gum n PRO 454 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2gum s LEU 455 N -4.13 1.82 -0.29 2.45 1.43 -0.24 -1.74 118.68 117.99 2gum s LEU 455 Ca 0.80 -1.75 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 2gum s LEU 455 Cb -0.37 0.38 0.13 0.00 0.03 0.00 0.00 46.19 46.36 2gum s LEU 455 CO 0.43 -1.04 0.94 -0.22 0.23 0.00 0.00 176.35 176.69 2gum s LEU 456 N -3.45 -0.57 0.61 1.79 2.96 -0.62 -4.48 118.68 114.92 2gum s LEU 456 Ca 0.35 0.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.04 2gum s LEU 456 Cb 0.02 1.87 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 2gum s LEU 456 CO 0.24 -0.15 1.08 -0.94 -1.32 0.00 0.00 176.35 175.26 2gum s SER 457 N 1.21 5.55 0.36 3.68 1.04 -1.26 0.36 113.70 124.64 2gum s SER 457 Ca -0.07 1.89 0.07 0.00 0.48 0.00 0.00 55.95 58.32 2gum s SER 457 Cb -0.04 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 64.22 2gum s SER 457 CO -0.14 -1.32 1.88 0.78 0.98 0.00 0.00 173.24 175.41 2gum h ASN 458 N 0.33 0.34 -0.07 7.02 2.35 -1.27 -3.46 115.58 120.83 2gum h ASN 458 Ca -0.47 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.23 2gum h ASN 458 Cb 1.23 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2gum h ASN 458 CO 0.56 0.48 0.01 0.41 -1.65 0.00 0.00 177.43 177.24 2gum n THR 459 N -4.26 -0.03 0.00 2.81 -1.04 -1.26 -5.13 114.28 105.37 2gum n THR 459 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2gum n THR 459 Cb 0.28 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2gum n THR 459 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2gum n SER 491 N -3.70 0.00 -4.76 8.00 3.41 -1.26 -5.23 113.62 110.08 2gum n SER 491 Ca 0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.38 2gum n SER 491 Cb 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 2gum n SER 491 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gum s VAL 492 N 0.00 2.25 0.26 -3.33 1.01 -1.26 -5.04 120.40 114.30 2gum s VAL 492 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 2gum s VAL 492 Cb 0.00 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 2gum s VAL 492 CO 0.00 0.00 0.49 -1.83 0.00 0.00 0.00 175.10 173.76 2gum s GLU 493 N -3.94 1.62 -0.13 2.72 -1.05 -1.11 -4.95 118.70 111.87 2gum s GLU 493 Ca 0.40 -1.32 -0.00 0.00 -0.15 0.00 0.00 54.97 53.90 2gum s GLU 493 Cb 0.03 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2gum s GLU 493 CO 0.22 -0.68 -0.13 1.03 0.95 0.00 0.00 175.26 176.65 2gum s ARG 494 N -3.84 3.36 0.29 -4.83 0.52 -1.26 -1.41 118.95 111.79 2gum s ARG 494 Ca 0.23 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2gum s ARG 494 Cb -0.01 -2.63 -0.10 0.00 0.52 0.00 0.00 34.95 32.73 2gum s ARG 494 CO 0.10 0.19 1.19 0.42 0.02 0.00 0.00 175.30 177.22 2gum s ILE 495 N 0.41 3.17 -0.22 1.52 -1.09 -1.26 -5.02 121.20 118.72 2gum s ILE 495 Ca -0.10 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.46 2gum s ILE 495 Cb -0.16 -3.75 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2gum s ILE 495 CO 0.05 0.27 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.43 2gum s LYS 496 N -1.50 3.29 -0.12 2.79 -0.14 -1.26 -4.66 119.74 118.15 2gum s LYS 496 Ca 0.47 -0.67 -0.05 0.00 -1.36 0.00 0.00 55.97 54.35 2gum s LYS 496 Cb -0.35 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 2gum s LYS 496 CO 0.46 -0.21 0.09 0.99 -0.76 0.00 0.00 175.35 175.91 2gum s THR 497 N 1.45 5.05 0.57 2.17 2.01 -1.26 -4.09 115.64 121.54 2gum s THR 497 Ca 0.05 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 2gum s THR 497 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2gum s THR 497 CO -0.05 0.60 1.11 0.28 -0.69 0.00 0.00 174.62 175.87 2gum s THR 498 N -0.83 3.28 -0.44 -0.82 -1.32 -0.22 -4.94 115.64 110.35 2gum s THR 498 Ca 0.13 0.73 0.23 0.00 -1.21 0.00 0.00 61.69 61.57 2gum s THR 498 Cb -0.12 -3.26 0.26 0.00 -1.51 0.00 0.00 72.50 67.87 2gum s THR 498 CO 0.03 -0.24 1.51 0.28 -2.21 0.00 0.00 174.62 173.99 2gum h SER 499 N 0.86 0.00 -3.64 8.08 0.02 -1.99 -3.44 113.55 113.44 2gum h SER 499 Ca -0.49 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 59.80 2gum h SER 499 Cb 1.25 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.57 2gum h SER 499 CO 0.56 0.00 -0.63 -0.55 -1.14 0.00 0.00 176.83 175.08 2gum s SER 500 N -5.80 5.11 0.00 3.07 0.15 -1.26 -4.96 113.70 110.02 2gum s SER 500 Ca 0.06 -0.21 0.27 0.00 0.70 0.00 0.00 55.95 56.77 2gum s SER 500 Cb 0.07 -1.92 0.86 0.00 -1.71 0.00 0.00 66.02 63.32 2gum s SER 500 CO 0.69 -0.03 1.64 0.00 1.20 0.00 0.00 173.24 176.73 2gum n ILE 501 N 4.92 0.00 -0.33 6.45 0.13 -1.26 -4.46 119.36 124.81 2gum n ILE 501 Ca -0.16 -0.27 0.07 0.00 -1.10 0.00 0.00 62.75 61.28 2gum n ILE 501 Cb 0.51 0.66 0.23 0.00 -0.84 0.00 0.00 39.64 40.20 2gum n ILE 501 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2gum h GLU 502 N 2.58 0.79 -0.97 9.51 4.39 -2.00 -1.56 114.58 127.32 2gum h GLU 502 Ca 0.00 -0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.77 2gum h GLU 502 Cb 0.58 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 2gum h GLU 502 CO 0.00 0.53 0.62 0.27 -1.16 0.00 0.00 179.01 179.26 2gum h PHE 503 N 0.82 1.07 0.00 4.33 -5.15 -2.00 0.22 116.94 116.23 2gum h PHE 503 Ca 0.48 0.03 -0.12 0.00 -0.20 0.00 0.00 57.97 58.16 2gum h PHE 503 Cb 0.56 -0.34 -0.02 0.00 0.22 0.00 0.00 35.95 36.38 2gum h PHE 503 CO -0.04 0.43 -0.55 0.00 -2.00 0.00 0.00 178.31 176.14 2gum h ALA 504 N 1.55 0.92 0.10 12.09 0.00 -1.57 -0.95 119.26 131.39 2gum h ALA 504 Ca 0.48 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2gum h ALA 504 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gum h ALA 504 CO -0.25 0.69 -1.23 0.00 0.00 0.00 0.00 179.25 178.47 2gum h ARG 505 N 0.00 0.20 -0.51 0.00 3.08 -0.90 -2.18 114.38 114.07 2gum h ARG 505 Ca -0.01 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2gum h ARG 505 Cb 1.09 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2gum h ARG 505 CO 0.07 1.15 0.15 -0.07 -1.07 0.00 0.00 179.97 180.19 2gum h LEU 506 N 0.06 0.75 -0.14 3.04 3.38 -0.54 0.11 115.31 121.97 2gum h LEU 506 Ca -0.12 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.67 2gum h LEU 506 Cb 1.93 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 2gum h LEU 506 CO 0.18 0.77 -0.09 -0.61 0.09 0.00 0.00 178.44 178.78 2gum h GLN 507 N 0.69 -0.09 -0.36 1.13 5.75 -1.14 0.22 115.11 121.32 2gum h GLN 507 Ca 0.16 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2gum h GLN 507 Cb 0.30 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2gum h GLN 507 CO -0.00 -0.06 0.19 0.35 -2.65 0.00 0.00 178.83 176.66 2gum h PHE 508 N -0.09 0.50 -0.05 3.99 3.57 -1.12 -0.41 116.94 123.33 2gum h PHE 508 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2gum h PHE 508 Cb 0.21 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2gum h PHE 508 CO -0.22 0.40 0.02 1.15 -2.23 0.00 0.00 178.31 177.43 2gum h THR 509 N 0.46 1.11 -0.47 4.41 2.02 -0.32 -1.08 112.91 119.03 2gum h THR 509 Ca 0.13 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.00 2gum h THR 509 Cb 0.07 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2gum h THR 509 CO -0.02 0.09 0.29 0.22 0.37 0.00 0.00 175.52 176.48 2gum h TYR 510 N -0.05 0.55 -0.61 3.16 5.03 -0.50 -1.92 116.97 122.64 2gum h TYR 510 Ca 0.02 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 2gum h TYR 510 Cb 0.13 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.20 2gum h TYR 510 CO -0.03 0.33 0.29 -0.91 -1.32 0.00 0.00 178.16 176.52 2gum h ASN 511 N 0.59 0.79 -0.18 -2.11 2.35 -0.91 0.27 115.58 116.38 2gum h ASN 511 Ca 0.19 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2gum h ASN 511 Cb -0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2gum h ASN 511 CO -0.07 0.70 0.09 -0.74 -1.65 0.00 0.00 177.43 175.76 2gum h HIS 512 N 0.83 0.16 -0.36 1.19 2.76 -0.98 0.81 115.15 119.56 2gum h HIS 512 Ca 0.21 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 2gum h HIS 512 Cb 0.12 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2gum h HIS 512 CO 0.00 0.09 -0.20 0.82 -1.30 0.00 0.00 177.93 177.34 2gum h ILE 513 N 0.19 1.29 -0.39 6.26 2.04 -1.07 -2.55 117.51 123.27 2gum h ILE 513 Ca 0.07 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.63 2gum h ILE 513 Cb 0.02 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2gum h ILE 513 CO -0.05 0.44 0.19 -0.61 0.00 0.00 0.00 178.15 178.12 2gum h GLN 514 N 0.55 0.38 -0.33 2.37 4.15 -0.26 0.39 115.11 122.37 2gum h GLN 514 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.51 2gum h GLN 514 Cb 0.75 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 2gum h GLN 514 CO 0.06 0.25 0.11 -0.09 -1.93 0.00 0.00 178.83 177.23 2gum h ARG 515 N 0.39 0.24 0.24 1.69 2.43 -0.79 -0.89 114.38 117.70 2gum h ARG 515 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2gum h ARG 515 Cb 0.08 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2gum h ARG 515 CO -0.12 0.16 -0.12 1.25 -1.51 0.00 0.00 179.97 179.64 2gum h HIS 516 N 0.25 -0.30 -0.50 2.20 2.76 -1.00 -1.98 115.15 116.58 2gum h HIS 516 Ca 0.15 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 2gum h HIS 516 Cb 0.12 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2gum h HIS 516 CO -0.14 -0.08 0.03 -0.39 -1.30 0.00 0.00 177.93 176.05 2gum h VAL 517 N -0.48 1.24 -0.53 5.26 -1.51 -0.82 -2.07 116.25 117.34 2gum h VAL 517 Ca -0.03 -0.97 -0.10 0.00 -1.23 0.00 0.00 66.70 64.37 2gum h VAL 517 Cb 0.36 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 2gum h VAL 517 CO 0.05 0.35 -0.07 0.78 -1.23 0.00 0.00 177.57 177.46 2gum h ASN 518 N 0.77 0.94 0.80 4.19 2.35 -1.11 -1.71 115.58 121.80 2gum h ASN 518 Ca 0.15 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 2gum h ASN 518 Cb 0.42 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2gum h ASN 518 CO 0.02 1.03 -0.42 -0.78 -1.65 0.00 0.00 177.43 175.62 2gum h ASP 519 N 0.86 -1.03 -0.24 5.81 1.82 -0.99 -0.61 116.42 122.02 2gum h ASP 519 Ca 0.15 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.84 2gum h ASP 519 Cb 0.60 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 2gum h ASP 519 CO 0.04 -0.69 0.15 0.24 -1.61 0.00 0.00 179.24 177.37 2gum h MET 520 N -1.12 0.30 -0.24 0.28 2.86 -1.39 -0.00 114.93 115.61 2gum h MET 520 Ca -0.11 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2gum h MET 520 Cb 0.88 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2gum h MET 520 CO 0.15 0.20 -0.14 -0.07 1.06 0.00 0.00 176.91 178.11 2gum h LEU 521 N 0.31 0.40 -0.69 1.22 3.38 -1.38 0.94 115.31 119.49 2gum h LEU 521 Ca 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2gum h LEU 521 Cb -0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2gum h LEU 521 CO -0.04 0.57 0.33 1.23 0.09 0.00 0.00 178.44 180.62 2gum h GLY 522 N 0.90 1.06 1.53 0.83 0.00 -0.56 0.23 103.07 107.06 2gum h GLY 522 Ca 0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2gum h GLY 522 CO 0.03 0.50 -0.08 3.21 0.00 0.00 0.00 176.54 180.20 2gum h ARG 523 N 0.96 0.57 -0.37 4.80 3.08 0.03 -2.16 114.38 121.28 2gum h ARG 523 Ca 0.24 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2gum h ARG 523 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2gum h ARG 523 CO -0.03 0.65 0.10 0.28 -1.07 0.00 0.00 179.97 179.90 2gum h VAL 524 N 0.53 1.22 -0.95 2.04 2.07 0.32 -0.93 116.25 120.55 2gum h VAL 524 Ca 0.10 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2gum h VAL 524 Cb 0.46 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2gum h VAL 524 CO 0.02 0.26 0.63 0.00 0.02 0.00 0.00 177.57 178.50 2gum h ALA 525 N 0.94 1.32 -0.10 1.67 0.00 -0.22 0.57 119.26 123.46 2gum h ALA 525 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2gum h ALA 525 Cb 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2gum h ALA 525 CO -0.00 0.63 -0.10 0.82 0.00 0.00 0.00 179.25 180.59 2gum h ILE 526 N 1.29 1.37 -0.71 0.00 2.04 -1.18 -1.70 117.51 118.61 2gum h ILE 526 Ca 0.35 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2gum h ILE 526 Cb -0.15 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2gum h ILE 526 CO -0.08 0.36 0.44 0.00 0.00 0.00 0.00 178.15 178.88 2gum h ALA 527 N 0.57 1.44 -0.33 1.87 0.00 -1.01 -0.64 119.26 121.16 2gum h ALA 527 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2gum h ALA 527 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gum h ALA 527 CO 0.03 0.49 0.08 2.35 0.00 0.00 0.00 179.25 182.20 2gum h TRP 528 N 0.97 0.56 -0.48 0.00 2.91 -0.69 0.66 115.95 119.88 2gum h TRP 528 Ca 0.26 -0.07 -0.02 0.00 1.13 0.00 0.00 58.89 60.19 2gum h TRP 528 Cb -0.07 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.40 2gum h TRP 528 CO 0.00 0.57 0.22 0.00 -1.03 0.00 0.00 178.44 178.21 2gum h GLU 530 N 0.63 0.27 -0.84 0.00 5.08 -0.83 -1.39 114.58 117.50 2gum h GLU 530 Ca 0.16 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2gum h GLU 530 Cb 0.13 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2gum h GLU 530 CO -0.02 0.18 0.54 1.25 -1.00 0.00 0.00 179.01 179.97 2gum h LEU 531 N 0.28 0.97 -0.58 1.33 5.85 -0.58 0.12 115.31 122.71 2gum h LEU 531 Ca 0.09 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2gum h LEU 531 Cb -0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2gum h LEU 531 CO -0.04 0.71 0.33 1.56 -0.34 0.00 0.00 178.44 180.67 2gum h GLN 532 N 1.14 0.80 -0.59 1.25 1.08 -0.68 -1.54 115.11 116.56 2gum h GLN 532 Ca 0.31 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 2gum h GLN 532 Cb -0.11 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.13 2gum h GLN 532 CO -0.06 0.60 0.23 -0.91 -0.95 0.00 0.00 178.83 177.73 2gum h ASN 533 N 0.78 0.82 -0.29 1.46 2.35 -0.79 -3.05 115.58 116.85 2gum h ASN 533 Ca 0.20 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2gum h ASN 533 Cb 0.02 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2gum h ASN 533 CO -0.04 0.77 0.06 -0.74 -1.65 0.00 0.00 177.43 175.84 2gum h HIS 534 N 0.82 0.10 0.00 1.19 2.76 -0.37 -2.88 115.15 116.77 2gum h HIS 534 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2gum h HIS 534 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2gum h HIS 534 CO 0.01 0.02 0.00 0.93 -1.30 0.00 0.00 177.93 177.59 2gum h GLU 535 N 0.17 0.00 -0.99 5.26 5.08 -1.20 -2.98 114.58 119.92 2gum h GLU 535 Ca 0.14 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.72 2gum h GLU 535 Cb 0.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 2gum h GLU 535 CO -0.18 0.00 0.63 1.25 -1.00 0.00 0.00 179.01 179.71 2gum h LEU 536 N 0.00 0.55 -1.13 1.33 5.85 -1.41 0.34 115.31 120.84 2gum h LEU 536 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2gum h LEU 536 Cb 0.48 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2gum h LEU 536 CO 0.00 0.17 0.59 0.74 -0.34 0.00 0.00 178.44 179.60 2gum h THR 537 N 0.52 1.17 -0.32 1.05 2.02 -1.70 0.20 112.91 115.84 2gum h THR 537 Ca 0.56 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 2gum h THR 537 Cb 1.21 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2gum h THR 537 CO -0.29 0.21 -0.29 -0.07 0.37 0.00 0.00 175.52 175.45 2gum h LEU 538 N 1.15 0.81 -1.54 2.58 3.38 -0.57 -2.91 115.31 118.21 2gum h LEU 538 Ca 0.35 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2gum h LEU 538 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2gum h LEU 538 CO -0.10 1.10 0.16 -0.50 0.09 0.00 0.00 178.44 179.20 2gum h TRP 539 N 0.53 0.46 -0.50 1.13 4.06 -0.19 -0.90 115.95 120.55 2gum h TRP 539 Ca 0.05 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 2gum h TRP 539 Cb 0.86 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 2gum h TRP 539 CO 0.07 0.34 0.14 -0.91 -3.56 0.00 0.00 178.44 174.52 2gum h ASN 540 N 0.47 0.68 0.19 -3.49 2.35 -0.48 -1.42 115.58 113.89 2gum h ASN 540 Ca 0.12 -0.10 -0.25 0.00 -0.55 0.00 0.00 56.30 55.52 2gum h ASN 540 Cb 0.06 -0.18 0.03 0.00 0.05 0.00 0.00 38.32 38.28 2gum h ASN 540 CO -0.02 0.66 -1.08 -0.33 -1.65 0.00 0.00 177.43 175.01 2gum h GLU 541 N 0.72 0.40 -0.52 0.81 4.39 -1.23 -3.35 114.58 115.81 2gum h GLU 541 Ca 0.17 -0.68 0.07 0.00 0.34 0.00 0.00 59.36 59.25 2gum h GLU 541 Cb 0.23 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2gum h GLU 541 CO -0.01 1.33 0.19 0.00 -1.16 0.00 0.00 179.01 179.36 2gum h ALA 542 N 0.11 0.64 -0.64 3.43 0.00 -1.02 -1.97 119.26 119.82 2gum h ALA 542 Ca -0.19 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2gum h ALA 542 Cb 1.86 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 2gum h ALA 542 CO 0.20 -0.20 0.43 0.07 0.00 0.00 0.00 179.25 179.75 2gum h ARG 543 N 0.38 0.42 -0.58 0.00 0.11 -1.41 0.12 114.38 113.42 2gum h ARG 543 Ca 0.25 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.20 2gum h ARG 543 Cb 0.26 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 2gum h ARG 543 CO -0.24 0.28 -0.03 0.87 0.10 0.00 0.00 179.97 180.95 2gum h LYS 544 N 0.44 1.05 -0.16 0.08 1.57 -1.49 -2.16 116.57 115.90 2gum h LYS 544 Ca 0.30 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2gum h LYS 544 Cb 0.58 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2gum h LYS 544 CO -0.09 1.05 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.59 2gum h LEU 545 N 0.94 0.43 -6.29 2.94 3.38 -0.68 -3.40 115.31 112.63 2gum h LEU 545 Ca 0.16 -0.50 -0.58 0.00 0.09 0.00 0.00 57.88 57.05 2gum h LEU 545 Cb 0.59 -0.12 -0.39 0.00 0.09 0.00 0.00 40.66 40.83 2gum h LEU 545 CO 0.04 0.84 -0.98 -3.20 0.09 0.00 0.00 178.44 175.22 2gum n ASN 546 N -4.50 0.03 -0.20 -0.43 2.85 -0.12 -4.99 115.26 107.89 2gum n ASN 546 Ca -0.06 -2.54 -0.01 0.00 -0.11 0.00 0.00 54.58 51.86 2gum n ASN 546 Cb 0.39 -0.59 0.10 0.00 1.24 0.00 0.00 39.78 40.92 2gum n ASN 546 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gum h PRO 547 N 5.10 0.44 -0.39 1.20 0.13 -1.61 -0.83 132.00 136.04 2gum h PRO 547 Ca 0.20 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.36 2gum h PRO 547 Cb 0.88 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.87 2gum h PRO 547 CO 0.43 0.29 0.10 -0.91 -0.23 0.00 0.00 178.00 177.68 2gum h ASN 548 N 0.45 0.06 -0.04 1.44 4.21 -1.86 0.12 115.58 119.95 2gum h ASN 548 Ca 0.30 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.85 2gum h ASN 548 Cb 0.34 0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2gum h ASN 548 CO -0.28 0.07 -0.04 0.00 -1.29 0.00 0.00 177.43 175.90 2gum h ALA 549 N 1.28 0.06 -0.77 -0.83 0.00 -1.77 -0.94 119.26 116.29 2gum h ALA 549 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2gum h ALA 549 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2gum h ALA 549 CO -0.22 -0.17 0.36 0.82 0.00 0.00 0.00 179.25 180.03 2gum h ILE 550 N -0.33 1.25 -0.37 0.00 5.03 -1.05 -1.66 117.51 120.38 2gum h ILE 550 Ca 0.01 -0.72 -0.10 0.00 -0.12 0.00 0.00 64.86 63.93 2gum h ILE 550 Cb 0.51 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.59 2gum h ILE 550 CO 0.01 0.30 -0.17 0.00 -0.68 0.00 0.00 178.15 177.61 2gum h ALA 551 N 1.18 0.52 -0.90 1.87 0.00 -0.78 -1.50 119.26 119.65 2gum h ALA 551 Ca 0.26 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2gum h ALA 551 Cb 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2gum h ALA 551 CO -0.03 0.45 0.57 0.77 0.00 0.00 0.00 179.25 181.01 2gum h SER 552 N 0.56 0.92 -0.39 0.00 0.02 -0.89 0.84 113.55 114.60 2gum h SER 552 Ca 0.08 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2gum h SER 552 Cb 0.72 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2gum h SER 552 CO 0.05 0.60 -0.04 0.58 -1.14 0.00 0.00 176.83 176.89 2gum h VAL 553 N 1.06 1.27 0.04 2.27 2.07 -1.17 -1.08 116.25 120.71 2gum h VAL 553 Ca 0.38 -1.08 -0.24 0.00 0.82 0.00 0.00 66.70 66.58 2gum h VAL 553 Cb 0.11 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2gum h VAL 553 CO -0.15 0.36 -1.03 0.71 0.02 0.00 0.00 177.57 177.48 2gum h THR 554 N 0.54 1.44 0.00 2.57 1.35 -0.44 -3.22 112.91 115.15 2gum h THR 554 Ca 0.11 -2.66 -0.11 0.00 -0.55 0.00 0.00 66.41 63.19 2gum h THR 554 Cb 0.54 2.59 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 2gum h THR 554 CO 0.03 0.79 -0.54 0.58 -0.25 0.00 0.00 175.52 176.12 2gum h VAL 555 N 0.16 1.09 0.00 6.82 2.07 0.62 -3.48 116.25 123.54 2gum h VAL 555 Ca -0.09 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.34 2gum h VAL 555 Cb 1.69 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 2gum h VAL 555 CO 0.17 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.90 2gum n GLY 556 N 0.66 0.81 3.48 2.17 0.00 -0.44 -5.05 105.19 106.81 2gum n GLY 556 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2gum n GLY 556 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gum s ARG 557 N -0.65 1.04 -0.03 1.61 1.70 -1.06 -5.04 118.95 116.52 2gum s ARG 557 Ca 0.00 -0.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 2gum s ARG 557 Cb 0.00 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 2gum s ARG 557 CO 0.00 -0.43 1.96 1.03 -1.08 0.00 0.00 175.30 176.78 2gum s ARG 558 N -2.94 3.95 0.21 3.89 1.81 -1.26 -4.38 118.95 120.23 2gum s ARG 558 Ca 0.00 2.42 0.01 0.00 -1.72 0.00 0.00 55.73 56.44 2gum s ARG 558 Cb -0.01 -4.17 -0.05 0.00 -0.45 0.00 0.00 34.95 30.27 2gum s ARG 558 CO -0.07 -1.16 0.05 0.14 -0.68 0.00 0.00 175.30 173.58 2gum s VAL 559 N 5.12 0.56 -0.06 3.52 -7.23 -1.26 -2.66 120.40 118.40 2gum s VAL 559 Ca 0.88 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2gum s VAL 559 Cb -0.39 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2gum s VAL 559 CO 0.38 -0.23 0.08 -0.55 -0.31 0.00 0.00 175.10 174.47 2gum s SER 560 N -3.23 5.79 0.05 4.85 0.15 0.32 -4.70 113.70 116.92 2gum s SER 560 Ca 0.31 0.25 -0.15 0.00 0.70 0.00 0.00 55.95 57.06 2gum s SER 560 Cb 0.07 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.67 2gum s SER 560 CO 0.09 0.34 0.33 0.00 1.20 0.00 0.00 173.24 175.20 2gum s ALA 561 N -1.06 -0.75 -0.07 5.45 0.00 -1.26 -1.22 121.76 122.85 2gum s ALA 561 Ca 0.18 0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 2gum s ALA 561 Cb -0.12 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.40 2gum s ALA 561 CO 0.08 -0.43 0.60 -0.98 0.00 0.00 0.00 175.76 175.04 2gum s ARG 562 N -2.57 0.94 0.14 0.00 1.70 -0.73 -4.21 118.95 114.21 2gum s ARG 562 Ca -0.05 0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 2gum s ARG 562 Cb -0.01 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 2gum s ARG 562 CO -0.03 -0.27 1.04 -1.64 -1.08 0.00 0.00 175.30 173.32 2gum s MET 563 N -0.99 4.64 -0.63 3.89 -1.94 -1.26 -0.74 119.30 122.27 2gum s MET 563 Ca -0.10 1.59 0.05 0.00 -1.71 0.00 0.00 55.69 55.52 2gum s MET 563 Cb -0.02 -3.33 0.33 0.00 2.01 0.00 0.00 34.83 33.82 2gum s MET 563 CO 0.08 0.13 1.01 1.28 -0.01 0.00 0.00 175.02 177.50 2gum n LEU 564 N 2.65 4.68 0.00 -0.03 4.77 -0.25 -4.90 117.00 123.92 2gum n LEU 564 Ca 0.03 -5.64 0.00 0.00 -0.03 0.00 0.00 56.01 50.37 2gum n LEU 564 Cb 0.48 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2gum n LEU 564 CO 0.53 2.30 0.00 0.61 -1.33 0.00 0.00 177.39 179.49 2gum n GLY 565 N -0.10 1.35 0.98 -0.72 0.00 -1.26 -3.93 105.19 101.50 2gum n GLY 565 Ca 0.32 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.64 2gum n GLY 565 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gum n ASP 566 N 3.75 3.26 -4.58 1.61 8.00 -1.26 -4.94 116.55 122.40 2gum n ASP 566 Ca 0.00 -1.93 -0.27 0.00 0.71 0.00 0.00 54.79 53.30 2gum n ASP 566 Cb 0.00 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 2gum n ASP 566 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2gum s VAL 567 N -1.17 1.73 -0.13 2.53 -7.23 -1.25 -4.96 120.40 109.90 2gum s VAL 567 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2gum s VAL 567 Cb 0.19 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2gum s VAL 567 CO 0.26 0.00 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.59 2gum s MET 568 N -3.77 3.34 -0.04 4.82 1.75 -0.60 -1.09 119.30 123.71 2gum s MET 568 Ca 0.34 -0.71 -0.17 0.00 -1.25 0.00 0.00 55.69 53.91 2gum s MET 568 Cb 0.09 -2.62 -0.05 0.00 2.84 0.00 0.00 34.83 35.09 2gum s MET 568 CO 0.17 0.17 0.45 0.00 -0.65 0.00 0.00 175.02 175.16 2gum s ALA 569 N 0.45 3.59 0.08 4.11 0.00 0.08 -0.28 121.76 129.79 2gum s ALA 569 Ca -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2gum s ALA 569 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2gum s ALA 569 CO 0.05 0.27 -0.07 0.14 0.00 0.00 0.00 175.76 176.14 2gum s VAL 570 N -0.35 0.69 -0.04 0.00 -7.23 -0.34 -1.78 120.40 111.35 2gum s VAL 570 Ca 0.25 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 2gum s VAL 570 Cb -0.16 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.45 2gum s VAL 570 CO 0.12 -0.70 0.35 -0.94 -0.31 0.00 0.00 175.10 173.63 2gum s SER 571 N -2.57 -0.26 0.33 4.85 1.04 -0.35 -4.19 113.70 112.55 2gum s SER 571 Ca 0.05 0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.45 2gum s SER 571 Cb 0.00 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 2gum s SER 571 CO -0.03 -0.41 1.02 -0.89 0.98 0.00 0.00 173.24 173.90 2gum s THR 572 N -1.10 3.86 0.23 2.02 2.01 -1.26 0.12 115.64 121.52 2gum s THR 572 Ca -0.11 1.60 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 2gum s THR 572 Cb -0.04 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 2gum s THR 572 CO 0.04 0.18 0.57 0.00 -0.69 0.00 0.00 174.62 174.72 2gum s VAL 574 N -1.80 5.36 0.77 0.00 0.11 0.18 -4.87 120.40 120.15 2gum s VAL 574 Ca 0.47 0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.70 2gum s VAL 574 Cb -0.11 -3.53 0.06 0.00 -1.53 0.00 0.00 36.38 31.27 2gum s VAL 574 CO 0.21 0.40 1.15 -2.84 -3.33 0.00 0.00 175.10 170.68 2gum s PRO 575 N 0.58 2.03 -0.09 1.54 0.02 -1.26 -1.27 135.00 136.55 2gum s PRO 575 Ca 0.11 1.50 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 2gum s PRO 575 Cb -0.12 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.60 2gum s PRO 575 CO 0.01 -1.86 0.21 0.08 -0.33 0.00 0.00 177.00 175.11 2gum s VAL 576 N -2.43 -0.05 0.35 3.83 1.01 0.35 -4.85 120.40 118.62 2gum s VAL 576 Ca 0.68 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 2gum s VAL 576 Cb -0.23 -0.33 -0.11 0.00 0.00 0.00 0.00 36.38 35.71 2gum s VAL 576 CO 0.50 0.07 1.48 0.00 0.00 0.00 0.00 175.10 177.14 2gum s ALA 577 N 1.26 3.59 0.59 5.51 0.00 -1.26 -1.82 121.76 129.62 2gum s ALA 577 Ca -0.09 1.52 0.29 0.00 0.00 0.00 0.00 51.96 53.69 2gum s ALA 577 Cb -0.11 -3.60 1.81 0.00 0.00 0.00 0.00 23.12 21.22 2gum s ALA 577 CO -0.08 -0.98 2.25 0.00 0.00 0.00 0.00 175.76 176.96 2gum h ALA 578 N 3.43 1.53 0.00 0.00 0.00 -1.96 -0.67 119.26 121.60 2gum h ALA 578 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2gum h ALA 578 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gum h ALA 578 CO 0.67 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.68 2gum n ASP 579 N -3.86 0.84 -1.27 0.00 8.00 -1.26 -2.97 116.55 116.02 2gum n ASP 579 Ca -0.03 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.14 2gum n ASP 579 Cb 0.08 -0.81 0.27 0.00 -0.02 0.00 0.00 41.12 40.65 2gum n ASP 579 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2gum n ASN 580 N -2.30 3.72 -4.15 -2.24 3.02 -0.26 -4.86 115.26 108.20 2gum n ASN 580 Ca 0.05 -2.32 -0.32 0.00 -0.03 0.00 0.00 54.58 51.97 2gum n ASN 580 Cb 0.41 -0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 38.92 2gum n ASN 580 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gum s VAL 581 N -1.74 1.94 -0.12 2.41 1.01 -1.16 -2.48 120.40 120.27 2gum s VAL 581 Ca 0.39 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2gum s VAL 581 Cb 0.25 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2gum s VAL 581 CO 0.19 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.97 2gum s ILE 582 N 0.84 2.20 -0.27 2.22 1.01 0.37 -4.97 121.20 122.60 2gum s ILE 582 Ca -0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 2gum s ILE 582 Cb -0.15 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2gum s ILE 582 CO -0.02 0.55 0.39 -0.69 0.00 0.00 0.00 174.94 175.18 2gum s VAL 583 N 0.48 5.16 0.79 2.92 1.01 -1.26 -1.13 120.40 128.36 2gum s VAL 583 Ca -0.15 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 2gum s VAL 583 Cb -0.17 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.56 2gum s VAL 583 CO 0.06 0.14 1.16 -1.10 0.00 0.00 0.00 175.10 175.36 2gum s GLN 584 N 2.10 1.87 0.13 2.72 -1.52 -0.84 -4.95 119.66 119.16 2gum s GLN 584 Ca 0.16 1.56 -0.01 0.00 -1.95 0.00 0.00 55.36 55.12 2gum s GLN 584 Cb -0.16 -1.82 -0.12 0.00 -0.22 0.00 0.00 33.01 30.69 2gum s GLN 584 CO 0.10 -2.00 1.29 -0.91 -0.25 0.00 0.00 175.29 173.52 2gum h ASN 585 N -0.88 0.36 -3.08 5.90 2.35 -1.96 -3.43 115.58 114.84 2gum h ASN 585 Ca -0.45 -0.32 -0.67 0.00 -0.55 0.00 0.00 56.30 54.31 2gum h ASN 585 Cb 1.27 -0.11 -0.11 0.00 0.05 0.00 0.00 38.32 39.42 2gum h ASN 585 CO 0.48 1.16 -0.57 -0.55 -1.65 0.00 0.00 177.43 176.30 2gum s SER 586 N -7.02 5.68 -0.03 5.81 0.15 -1.26 0.17 113.70 117.20 2gum s SER 586 Ca -0.04 0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.91 2gum s SER 586 Cb 0.09 -1.67 0.21 0.00 -1.71 0.00 0.00 66.02 62.94 2gum s SER 586 CO 0.85 0.34 1.17 0.23 1.20 0.00 0.00 173.24 177.03 2gum n MET 587 N 1.71 2.80 -3.23 5.44 2.81 -0.72 -4.58 117.12 121.35 2gum n MET 587 Ca -0.17 -1.96 -0.31 0.00 -1.81 0.00 0.00 57.70 53.46 2gum n MET 587 Cb 0.54 -1.24 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 2gum n MET 587 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gum s ARG 588 N -1.33 3.77 -0.39 0.03 1.81 -1.26 -0.81 118.95 120.77 2gum s ARG 588 Ca 0.17 0.29 -0.02 0.00 -1.72 0.00 0.00 55.73 54.45 2gum s ARG 588 Cb 0.11 -2.56 0.10 0.00 -0.45 0.00 0.00 34.95 32.15 2gum s ARG 588 CO 0.08 0.18 0.17 0.42 -0.68 0.00 0.00 175.30 175.47 2gum s ILE 589 N -2.05 3.12 0.12 1.52 1.01 -1.15 -4.84 121.20 118.94 2gum s ILE 589 Ca 0.48 -2.04 -0.25 0.00 0.00 0.00 0.00 60.65 58.84 2gum s ILE 589 Cb -0.11 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2gum s ILE 589 CO 0.26 -0.63 1.65 0.28 0.00 0.00 0.00 174.94 176.49 2gum h SER 590 N 7.98 -0.67 0.00 3.58 0.02 -1.97 -3.02 113.55 119.48 2gum h SER 590 Ca -0.12 0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2gum h SER 590 Cb 1.04 0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 2gum h SER 590 CO 0.66 -0.30 -0.08 -1.54 -1.14 0.00 0.00 176.83 174.44 2gum n SER 591 N -5.35 4.42 0.00 3.07 3.41 -1.26 -3.83 113.62 114.08 2gum n SER 591 Ca -0.05 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 2gum n SER 591 Cb 0.27 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2gum n SER 591 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2gum n ARG 592 N 2.64 0.00 -1.47 4.33 0.63 -1.14 -5.11 116.66 116.54 2gum n ARG 592 Ca 0.36 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.85 2gum n ARG 592 Cb 0.73 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.63 2gum n ARG 592 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2gum n PRO 593 N 0.00 0.62 0.00 -0.14 -0.02 -1.25 -1.44 135.00 132.77 2gum n PRO 593 Ca 0.00 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2gum n PRO 593 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2gum n PRO 593 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gum n GLY 594 N 1.70 3.14 3.67 -1.23 0.00 -1.26 -5.00 105.19 106.21 2gum n GLY 594 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2gum n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gum s ALA 595 N -1.82 3.59 0.08 4.61 0.00 -0.52 -0.92 121.76 126.79 2gum s ALA 595 Ca 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2gum s ALA 595 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 2gum s ALA 595 CO 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 175.76 175.56 2gum s TYR 597 N -1.31 3.72 -0.70 0.00 1.51 0.01 0.26 117.35 120.84 2gum s TYR 597 Ca 0.01 1.78 0.26 0.00 -1.01 0.00 0.00 57.07 58.11 2gum s TYR 597 Cb -0.10 -3.14 0.75 0.00 -0.11 0.00 0.00 41.96 39.36 2gum s TYR 597 CO 0.03 -0.13 1.74 0.66 -1.11 0.00 0.00 175.55 176.74 2gum h SER 598 N 3.80 0.00 -4.91 2.29 4.64 -1.65 -3.45 113.55 114.28 2gum h SER 598 Ca -0.46 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 2gum h SER 598 Cb 1.21 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 2gum h SER 598 CO 0.67 0.00 -0.58 -0.13 -0.87 0.00 0.00 176.83 175.93 2gum s ARG 599 N -3.11 0.40 0.46 4.77 0.52 -1.26 -5.07 118.95 115.65 2gum s ARG 599 Ca 0.10 -0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 2gum s ARG 599 Cb 0.12 0.16 -0.12 0.00 0.52 0.00 0.00 34.95 35.63 2gum s ARG 599 CO 0.61 -0.08 0.54 -2.30 0.02 0.00 0.00 175.30 174.09 2gum n PRO 600 N 1.60 0.58 -3.04 3.54 -0.02 -1.26 -4.72 135.00 131.68 2gum n PRO 600 Ca -0.23 0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.21 2gum n PRO 600 Cb 0.56 -1.56 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 2gum n PRO 600 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2gum s LEU 601 N 1.52 3.85 0.21 2.45 1.43 -1.26 -1.05 118.68 125.84 2gum s LEU 601 Ca 0.64 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 2gum s LEU 601 Cb -0.56 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 2gum s LEU 601 CO 0.57 -0.41 0.39 0.68 0.23 0.00 0.00 176.35 177.82 2gum s VAL 602 N -2.47 0.02 0.02 -1.59 -7.23 0.39 -2.00 120.40 107.55 2gum s VAL 602 Ca 0.44 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2gum s VAL 602 Cb -0.10 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2gum s VAL 602 CO 0.39 -0.10 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.61 2gum s SER 603 N -3.00 0.29 0.14 4.85 0.01 -0.29 -1.90 113.70 113.81 2gum s SER 603 Ca 0.21 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 56.80 2gum s SER 603 Cb 0.01 0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.39 2gum s SER 603 CO 0.05 -0.24 1.04 0.72 0.41 0.00 0.00 173.24 175.23 2gum s PHE 604 N -1.20 -0.04 0.00 2.43 -0.12 0.38 -0.48 117.98 118.96 2gum s PHE 604 Ca -0.12 -0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.46 2gum s PHE 604 Cb -0.08 0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2gum s PHE 604 CO -0.01 -0.79 0.01 -0.98 -0.05 0.00 0.00 175.22 173.40 2gum s ARG 605 N -2.72 0.14 0.21 1.99 1.70 -1.04 0.24 118.95 119.48 2gum s ARG 605 Ca 0.17 -0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.22 2gum s ARG 605 Cb -0.01 0.05 0.17 0.00 -0.57 0.00 0.00 34.95 34.60 2gum s ARG 605 CO 0.03 -0.02 1.55 1.88 -1.08 0.00 0.00 175.30 177.65 2gum h TYR 606 N 5.55 0.63 -3.76 5.89 -1.99 -1.91 -3.45 116.97 117.92 2gum h TYR 606 Ca -0.27 -0.21 -0.68 0.00 2.00 0.00 0.00 58.73 59.57 2gum h TYR 606 Cb 1.21 -0.12 -0.19 0.00 2.00 0.00 0.00 36.73 39.62 2gum h TYR 606 CO 0.50 0.91 -0.79 -1.21 -0.00 0.00 0.00 178.16 177.56 2gum s GLU 607 N -4.05 1.90 0.00 4.88 0.41 -1.26 -4.77 118.70 115.80 2gum s GLU 607 Ca -0.07 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 2gum s GLU 607 Cb 0.12 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 2gum s GLU 607 CO 0.83 0.50 0.91 -0.25 -0.49 0.00 0.00 175.26 176.76 2gum n ASP 608 N 0.98 0.00 0.00 -0.19 9.92 -1.26 -0.90 116.55 125.10 2gum n ASP 608 Ca -0.15 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 2gum n ASP 608 Cb 0.52 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 2gum n ASP 608 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gum n GLN 609 N -1.41 4.80 -1.00 -1.24 6.02 -1.26 -5.09 117.38 118.21 2gum n GLN 609 Ca 0.00 -0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.64 2gum n GLN 609 Cb 0.06 -0.50 0.20 0.00 1.02 0.00 0.00 30.24 31.03 2gum n GLN 609 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gum s GLY 610 N -0.71 1.55 0.91 1.08 0.00 -0.07 -5.01 107.32 105.07 2gum s GLY 610 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2gum s GLY 610 CO 0.00 0.31 1.12 -4.14 0.00 0.00 0.00 173.10 170.38 2gum s PRO 611 N -4.86 1.08 -0.23 2.90 0.02 -1.26 -4.88 135.00 127.78 2gum s PRO 611 Ca 0.67 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.86 2gum s PRO 611 Cb -0.20 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2gum s PRO 611 CO 0.59 -2.51 0.41 -1.17 -0.33 0.00 0.00 177.00 173.99 2gum s LEU 612 N -6.50 4.10 -0.06 -5.54 2.96 -1.26 -4.25 118.68 108.13 2gum s LEU 612 Ca 0.65 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.98 2gum s LEU 612 Cb -0.21 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2gum s LEU 612 CO 0.58 -0.14 0.09 -0.69 -1.32 0.00 0.00 176.35 174.87 2gum s VAL 613 N 1.69 4.94 0.30 1.68 1.01 0.65 -4.83 120.40 125.84 2gum s VAL 613 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2gum s VAL 613 Cb -0.15 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2gum s VAL 613 CO 0.09 0.48 0.59 -1.61 0.00 0.00 0.00 175.10 174.65 2gum s GLU 614 N -1.37 3.68 0.00 2.72 2.02 -1.26 -0.47 118.70 124.02 2gum s GLU 614 Ca 0.19 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.31 2gum s GLU 614 Cb -0.12 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2gum s GLU 614 CO 0.09 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2gum n GLY 615 N -0.89 -1.18 3.14 -1.39 0.00 -0.80 -4.78 105.19 99.30 2gum n GLY 615 Ca -0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2gum n GLY 615 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gum s GLN 616 N -0.69 0.76 -0.03 1.61 -2.07 -0.08 -0.46 119.66 118.69 2gum s GLN 616 Ca 0.00 -1.24 -0.30 0.00 -1.82 0.00 0.00 55.36 52.00 2gum s GLN 616 Cb 0.00 -0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.73 2gum s GLN 616 CO 0.00 -0.03 1.29 -1.17 -1.32 0.00 0.00 175.29 174.06 2gum s LEU 617 N -2.84 4.29 0.00 2.60 2.96 -0.21 -0.25 118.68 125.23 2gum s LEU 617 Ca 0.08 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 2gum s LEU 617 Cb 0.04 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.17 2gum s LEU 617 CO -0.05 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 2gum n GLY 618 N 3.49 1.83 3.88 7.98 0.00 0.39 -4.67 105.19 118.09 2gum n GLY 618 Ca 0.12 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 2gum n GLY 618 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gum s GLU 619 N -1.66 3.22 -1.51 1.61 2.02 -1.26 -3.92 118.70 117.20 2gum s GLU 619 Ca 0.00 0.54 -0.01 0.00 0.02 0.00 0.00 54.97 55.52 2gum s GLU 619 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2gum s GLU 619 CO 0.00 -0.76 0.09 -1.71 0.02 0.00 0.00 175.26 172.90 2gum n ASN 620 N -2.82 0.57 -3.04 -0.19 4.05 -1.26 -1.45 115.26 111.13 2gum n ASN 620 Ca 0.06 -1.23 -0.23 0.00 0.45 0.00 0.00 54.58 53.63 2gum n ASN 620 Cb 0.56 -1.85 0.04 0.00 1.23 0.00 0.00 39.78 39.75 2gum n ASN 620 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2gum n ASN 621 N -2.88 -6.17 -4.84 1.20 3.02 -1.26 -4.89 115.26 99.44 2gum n ASN 621 Ca -0.32 -0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 53.56 2gum n ASN 621 Cb 0.69 -4.98 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 2gum n ASN 621 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2gum s GLU 622 N -5.72 3.95 -0.41 3.52 2.12 -0.53 -1.90 118.70 119.74 2gum s GLU 622 Ca 0.31 0.45 -0.08 0.00 0.36 0.00 0.00 54.97 56.01 2gum s GLU 622 Cb -0.14 -3.15 0.08 0.00 0.26 0.00 0.00 34.13 31.19 2gum s GLU 622 CO 0.39 0.63 0.23 -0.51 -0.54 0.00 0.00 175.26 175.46 2gum s LEU 623 N -1.34 5.10 0.11 2.70 1.43 0.20 0.15 118.68 127.03 2gum s LEU 623 Ca 0.28 -1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 51.50 2gum s LEU 623 Cb -0.17 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2gum s LEU 623 CO 0.16 -0.53 0.90 -0.13 0.23 0.00 0.00 176.35 176.99 2gum s ARG 624 N 1.36 4.66 0.20 1.70 0.52 0.65 -4.33 118.95 123.71 2gum s ARG 624 Ca 0.03 1.35 0.26 0.00 -0.52 0.00 0.00 55.73 56.86 2gum s ARG 624 Cb -0.23 -3.36 0.86 0.00 0.52 0.00 0.00 34.95 32.74 2gum s ARG 624 CO 0.01 0.28 1.78 1.28 0.02 0.00 0.00 175.30 178.67 2gum n LEU 625 N 2.59 0.74 -4.40 2.53 4.77 -1.26 -0.91 117.00 121.06 2gum n LEU 625 Ca 0.00 0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 56.21 2gum n LEU 625 Cb 0.49 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 2gum n LEU 625 CO 0.50 -0.20 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.12 2gum s THR 626 N -3.11 3.77 -1.32 -5.08 2.01 -1.26 -4.63 115.64 106.02 2gum s THR 626 Ca 0.10 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 2gum s THR 626 Cb 0.13 -2.72 0.13 0.00 0.01 0.00 0.00 72.50 70.05 2gum s THR 626 CO 0.57 0.42 2.17 0.54 -0.69 0.00 0.00 174.62 177.63 2gum n ARG 627 N 4.52 4.06 -0.01 4.92 1.74 -1.26 -4.50 116.66 126.12 2gum n ARG 627 Ca -0.17 -3.41 0.07 0.00 -0.77 0.00 0.00 57.85 53.57 2gum n ARG 627 Cb 0.51 -2.79 -0.11 0.00 -1.02 0.00 0.00 32.46 29.06 2gum n ARG 627 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2gum n ASP 628 N 2.90 1.47 -4.55 0.55 3.85 -1.26 -4.89 116.55 114.63 2gum n ASP 628 Ca 0.52 -0.14 -0.34 0.00 -0.71 0.00 0.00 54.79 54.13 2gum n ASP 628 Cb 0.30 1.56 -0.04 0.00 -1.35 0.00 0.00 41.12 41.60 2gum n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gum s ALA 629 N -2.91 1.72 0.27 2.12 0.00 -1.26 -4.91 121.76 116.78 2gum s ALA 629 Ca -0.04 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2gum s ALA 629 Cb 0.10 -4.37 -0.06 0.00 0.00 0.00 0.00 23.12 18.79 2gum s ALA 629 CO 0.61 -4.45 -0.05 0.42 0.00 0.00 0.00 175.76 172.28 2gum s ILE 630 N 11.27 1.56 0.27 0.00 1.01 -1.26 -1.90 121.20 132.15 2gum s ILE 630 Ca 0.85 -2.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 2gum s ILE 630 Cb -0.14 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.93 2gum s ILE 630 CO 0.20 -0.31 0.73 -1.83 0.00 0.00 0.00 174.94 173.73 2gum s GLU 631 N -3.74 1.73 -0.13 2.79 -1.05 0.14 -4.66 118.70 113.78 2gum s GLU 631 Ca 0.29 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 2gum s GLU 631 Cb 0.04 0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 34.30 2gum s GLU 631 CO 0.11 -0.79 1.33 -2.14 0.95 0.00 0.00 175.26 174.72 2gum s PRO 632 N -3.87 4.24 0.14 -4.83 0.02 -1.26 -1.01 135.00 128.42 2gum s PRO 632 Ca 0.11 1.77 -0.35 0.00 0.02 0.00 0.00 61.00 62.54 2gum s PRO 632 Cb -0.05 -3.77 -0.15 0.00 0.02 0.00 0.00 34.50 30.54 2gum s PRO 632 CO 0.06 -0.70 1.45 0.00 -0.33 0.00 0.00 177.00 177.48 2gum s THR 634 N 0.62 1.15 0.25 0.00 2.01 -1.26 -4.99 115.64 113.42 2gum s THR 634 Ca 0.80 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.71 2gum s THR 634 Cb -0.80 -2.61 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 2gum s THR 634 CO 0.43 0.00 0.56 -0.69 -0.69 0.00 0.00 174.62 174.23 2gum s VAL 635 N -3.12 4.94 -1.57 3.82 1.01 -1.26 -4.26 120.40 119.95 2gum s VAL 635 Ca 0.28 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2gum s VAL 635 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2gum s VAL 635 CO 0.14 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2gum n GLY 636 N -0.35 -0.31 3.66 4.51 0.00 -1.26 -4.89 105.19 106.55 2gum n GLY 636 Ca 0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 46.02 45.38 2gum n GLY 636 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2gum n HIS 637 N -3.97 2.12 -3.80 1.61 -0.00 -1.26 -4.89 115.22 105.03 2gum n HIS 637 Ca -0.22 0.26 -0.21 0.00 0.46 0.00 0.00 57.72 58.02 2gum n HIS 637 Cb 0.66 -2.56 -0.17 0.00 -0.12 0.00 0.00 29.99 27.80 2gum n HIS 637 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2gum s ARG 638 N 4.19 0.40 -0.04 1.57 0.52 -1.26 -1.39 118.95 122.94 2gum s ARG 638 Ca 0.98 0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 56.26 2gum s ARG 638 Cb -0.88 -0.76 0.01 0.00 0.52 0.00 0.00 34.95 33.85 2gum s ARG 638 CO 0.57 -0.26 0.18 1.03 0.02 0.00 0.00 175.30 176.85 2gum s ARG 639 N 1.76 0.35 -0.18 3.54 1.81 -0.53 -5.02 118.95 120.68 2gum s ARG 639 Ca 0.01 0.01 0.01 0.00 -1.72 0.00 0.00 55.73 54.04 2gum s ARG 639 Cb -0.13 0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.56 2gum s ARG 639 CO -0.04 -0.07 -0.15 0.71 -0.68 0.00 0.00 175.30 175.07 2gum s TYR 640 N -0.50 2.54 -0.13 -0.53 1.51 -1.26 -0.80 117.35 118.18 2gum s TYR 640 Ca -0.06 -1.55 0.00 0.00 -1.01 0.00 0.00 57.07 54.45 2gum s TYR 640 Cb -0.04 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 2gum s TYR 640 CO 0.01 -0.75 -0.14 -0.06 -1.11 0.00 0.00 175.55 173.50 2gum s PHE 641 N 1.36 2.80 0.13 2.71 0.40 -0.59 -4.92 117.98 119.86 2gum s PHE 641 Ca 0.02 -0.72 -0.35 0.00 -0.60 0.00 0.00 56.93 55.28 2gum s PHE 641 Cb -0.14 -1.85 -0.15 0.00 0.51 0.00 0.00 43.02 41.39 2gum s PHE 641 CO -0.11 -0.26 1.48 2.41 0.70 0.00 0.00 175.22 179.45 2gum n THR 642 N 3.62 0.00 -3.46 0.64 -1.04 -1.26 -0.81 114.28 111.97 2gum n THR 642 Ca -0.18 -0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 2gum n THR 642 Cb 0.53 -1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 67.70 2gum n THR 642 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2gum s PHE 643 N 0.76 -0.74 0.00 -1.42 5.36 0.74 -4.53 117.98 118.15 2gum s PHE 643 Ca 0.81 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 2gum s PHE 643 Cb -0.79 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.94 2gum s PHE 643 CO 0.42 -0.62 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 2gum n GLY 644 N 5.37 3.73 0.69 13.12 0.00 -1.26 -1.57 105.19 125.27 2gum n GLY 644 Ca -0.05 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2gum n GLY 644 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 645 N 0.00 0.44 0.00 -0.02 0.00 -1.26 -4.71 105.19 99.64 2gum n GLY 645 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2gum n GLY 645 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 646 N 1.27 4.20 3.24 -0.02 0.00 -0.61 -4.38 105.19 108.89 2gum n GLY 646 Ca 0.16 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2gum n GLY 646 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gum s TYR 647 N 2.83 1.19 -0.13 1.61 1.51 -0.99 -0.19 117.35 123.18 2gum s TYR 647 Ca 0.00 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 2gum s TYR 647 Cb 0.00 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 2gum s TYR 647 CO 0.00 -0.22 -0.20 0.54 -1.11 0.00 0.00 175.55 174.56 2gum s VAL 648 N -3.67 1.91 -0.17 0.71 0.11 0.01 -1.58 120.40 117.74 2gum s VAL 648 Ca 0.24 -0.89 -0.14 0.00 -2.93 0.00 0.00 61.98 58.25 2gum s VAL 648 Cb 0.06 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 2gum s VAL 648 CO 0.04 0.52 0.29 -0.47 -3.33 0.00 0.00 175.10 172.15 2gum s TYR 649 N 0.83 3.45 -0.05 1.54 5.04 0.50 -1.54 117.35 127.12 2gum s TYR 649 Ca -0.08 0.58 0.06 0.00 -2.44 0.00 0.00 57.07 55.19 2gum s TYR 649 Cb -0.16 -2.35 -0.02 0.00 0.35 0.00 0.00 41.96 39.79 2gum s TYR 649 CO -0.01 0.22 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.14 2gum s PHE 650 N 0.53 2.49 -0.01 4.97 0.40 0.02 -0.99 117.98 125.39 2gum s PHE 650 Ca 0.16 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2gum s PHE 650 Cb -0.13 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2gum s PHE 650 CO 0.04 -0.10 -0.10 -2.00 0.70 0.00 0.00 175.22 173.76 2gum s GLU 651 N -0.34 0.85 -1.38 0.44 2.56 -0.44 -1.46 118.70 118.93 2gum s GLU 651 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 54.97 54.53 2gum s GLU 651 Cb -0.12 -0.81 0.01 0.00 2.00 0.00 0.00 34.13 35.20 2gum s GLU 651 CO 0.02 0.20 0.37 0.39 -0.56 0.00 0.00 175.26 175.67 2gum n GLU 652 N 2.92 -1.46 -4.09 4.30 -0.58 -0.48 0.26 120.64 121.52 2gum n GLU 652 Ca -0.14 0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 2gum n GLU 652 Cb 0.56 -3.65 -0.03 0.00 -0.57 0.00 0.00 31.44 27.75 2gum n GLU 652 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2gum n TYR 653 N -4.61 -1.69 -3.81 -0.32 4.02 -1.26 -4.94 117.16 104.56 2gum n TYR 653 Ca -0.25 0.71 -0.14 0.00 -0.01 0.00 0.00 57.90 58.22 2gum n TYR 653 Cb 0.65 -2.73 -0.15 0.00 -0.02 0.00 0.00 39.34 37.09 2gum n TYR 653 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gum s ALA 654 N -3.18 0.05 0.26 -0.72 0.00 0.14 -1.75 121.76 116.56 2gum s ALA 654 Ca 0.69 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 2gum s ALA 654 Cb -0.38 -0.14 -0.13 0.00 0.00 0.00 0.00 23.12 22.46 2gum s ALA 654 CO 0.85 -0.06 1.37 0.98 0.00 0.00 0.00 175.76 178.90 2gum n TYR 655 N 3.72 2.15 -0.01 0.00 9.36 0.13 -1.33 117.16 131.17 2gum n TYR 655 Ca -0.21 0.46 -0.04 0.00 3.32 0.00 0.00 57.90 61.43 2gum n TYR 655 Cb 0.54 -2.44 -0.01 0.00 -0.63 0.00 0.00 39.34 36.79 2gum n TYR 655 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2gum n SER 656 N 1.89 0.81 0.00 2.98 2.88 -0.16 -4.85 113.62 117.17 2gum n SER 656 Ca 0.10 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2gum n SER 656 Cb 0.32 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2gum n SER 656 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gum n HIS 657 N -3.47 0.00 -3.58 0.66 1.44 -1.20 -5.02 115.22 104.07 2gum n HIS 657 Ca -0.08 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.44 2gum n HIS 657 Cb 0.37 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 2gum n HIS 657 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2gum s GLN 658 N -2.00 3.02 0.17 -1.40 -0.21 -1.26 -0.37 119.66 117.61 2gum s GLN 658 Ca 0.00 -1.08 -0.16 0.00 0.02 0.00 0.00 55.36 54.14 2gum s GLN 658 Cb 0.00 -2.73 0.02 0.00 1.00 0.00 0.00 33.01 31.31 2gum s GLN 658 CO 0.00 0.08 0.45 -0.48 -2.12 0.00 0.00 175.29 173.22 2gum s LEU 659 N -4.12 0.32 0.55 2.90 2.34 -0.61 -4.93 118.68 115.13 2gum s LEU 659 Ca 0.44 -0.52 -0.09 0.00 0.06 0.00 0.00 54.13 54.02 2gum s LEU 659 Cb -0.08 1.90 -0.04 0.00 -0.56 0.00 0.00 46.19 47.40 2gum s LEU 659 CO 0.30 -0.98 0.92 -0.55 -1.06 0.00 0.00 176.35 174.98 2gum s SER 660 N -2.87 6.28 0.61 1.48 0.15 -1.26 -2.35 113.70 115.73 2gum s SER 660 Ca 0.09 1.22 0.38 0.00 0.70 0.00 0.00 55.95 58.34 2gum s SER 660 Cb 0.00 -2.38 1.93 0.00 -1.71 0.00 0.00 66.02 63.86 2gum s SER 660 CO -0.04 -0.71 2.20 -0.09 1.20 0.00 0.00 173.24 175.79 2gum h ARG 661 N 0.05 0.00 0.00 5.44 2.43 -1.92 -2.24 114.38 118.14 2gum h ARG 661 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2gum h ARG 661 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2gum h ARG 661 CO 0.62 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 2gum h ALA 662 N 1.98 1.00 0.00 2.80 0.00 -1.95 -2.61 119.26 120.48 2gum h ALA 662 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gum h ALA 662 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2gum h ALA 662 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2gum n ASP 663 N -2.32 0.37 -4.67 0.00 8.00 -0.84 -4.80 116.55 112.28 2gum n ASP 663 Ca 0.01 0.54 -0.32 0.00 0.71 0.00 0.00 54.79 55.72 2gum n ASP 663 Cb 0.16 -0.63 -0.09 0.00 -0.02 0.00 0.00 41.12 40.53 2gum n ASP 663 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gum s ILE 664 N -3.05 4.04 0.18 0.53 1.09 -0.99 -5.09 121.20 117.92 2gum s ILE 664 Ca 0.12 -0.69 -0.30 0.00 -1.10 0.00 0.00 60.65 58.68 2gum s ILE 664 Cb 0.16 -2.81 -0.08 0.00 -1.06 0.00 0.00 42.46 38.67 2gum s ILE 664 CO 0.55 0.34 1.20 0.28 -0.10 0.00 0.00 174.94 177.21 2gum s THR 665 N -1.10 3.59 -0.17 2.92 -1.32 -1.26 -5.01 115.64 113.29 2gum s THR 665 Ca 0.20 1.33 -0.06 0.00 -1.21 0.00 0.00 61.69 61.95 2gum s THR 665 Cb -0.11 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 2gum s THR 665 CO 0.11 0.21 0.05 -0.89 -2.21 0.00 0.00 174.62 171.88 2gum s THR 666 N -0.00 4.66 0.15 5.08 2.01 -1.26 -5.09 115.64 121.19 2gum s THR 666 Ca 0.53 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.55 2gum s THR 666 Cb -0.32 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2gum s THR 666 CO 0.36 0.48 -0.19 0.68 -0.69 0.00 0.00 174.62 175.26 2gum s VAL 667 N 0.21 2.69 0.03 3.82 -7.23 -1.26 -5.14 120.40 113.52 2gum s VAL 667 Ca 0.03 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2gum s VAL 667 Cb -0.12 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 2gum s VAL 667 CO 0.01 0.00 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.15 2gum s SER 668 N -2.40 4.35 0.00 4.85 0.15 -1.26 -4.98 113.70 114.41 2gum s SER 668 Ca 0.19 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.81 2gum s SER 668 Cb -0.09 -0.91 0.05 0.00 -1.71 0.00 0.00 66.02 63.36 2gum s SER 668 CO 0.10 0.26 1.13 0.35 1.20 0.00 0.00 173.24 176.28 2gum n THR 669 N 1.46 0.00 -2.89 6.45 -2.24 -1.26 -4.96 114.28 110.83 2gum n THR 669 Ca -0.15 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 2gum n THR 669 Cb 0.52 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 2gum n THR 669 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2gum s PHE 670 N -2.47 3.89 -0.11 4.78 0.08 -1.26 -5.05 117.98 117.84 2gum s PHE 670 Ca 0.19 1.70 -0.17 0.00 0.12 0.00 0.00 56.93 58.77 2gum s PHE 670 Cb 0.18 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 2gum s PHE 670 CO 0.56 0.43 0.45 0.42 -0.10 0.00 0.00 175.22 176.99 2gum s ILE 671 N -0.87 5.18 0.45 0.64 1.09 -1.26 -5.06 121.20 121.36 2gum s ILE 671 Ca 0.39 0.90 -0.13 0.00 -1.10 0.00 0.00 60.65 60.71 2gum s ILE 671 Cb -0.24 -3.79 -0.07 0.00 -1.06 0.00 0.00 42.46 37.31 2gum s ILE 671 CO 0.28 0.36 0.86 -1.81 -0.10 0.00 0.00 174.94 174.52 2gum s ASP 672 N 0.43 6.58 -0.22 3.58 1.01 -1.26 -5.07 116.67 121.73 2gum s ASP 672 Ca 0.25 1.32 -0.05 0.00 0.71 0.00 0.00 52.55 54.78 2gum s ASP 672 Cb -0.15 -2.40 0.11 0.00 1.01 0.00 0.00 42.92 41.49 2gum s ASP 672 CO 0.10 -0.47 0.40 -0.22 0.21 0.00 0.00 175.17 175.19 2gum s LEU 673 N -3.89 -0.65 -0.62 1.23 2.96 -1.26 -5.11 118.68 111.34 2gum s LEU 673 Ca 0.55 0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 55.07 2gum s LEU 673 Cb -0.10 1.25 0.16 0.00 0.50 0.00 0.00 46.19 48.00 2gum s LEU 673 CO 0.30 -0.26 0.45 0.21 -1.32 0.00 0.00 176.35 175.74 2gum s ASN 674 N 2.59 5.50 -0.12 3.68 2.47 -1.26 -5.05 114.94 122.74 2gum s ASN 674 Ca 0.05 -2.66 -0.11 0.00 0.42 0.00 0.00 52.86 50.56 2gum s ASN 674 Cb -0.13 -1.92 -0.05 0.00 -1.45 0.00 0.00 41.25 37.70 2gum s ASN 674 CO -0.14 -0.45 0.24 -0.63 -3.72 0.00 0.00 177.10 172.40 2gum s ILE 675 N 0.23 5.34 0.12 -5.21 -1.09 -1.26 -5.09 121.20 114.24 2gum s ILE 675 Ca 0.15 0.43 0.08 0.00 -2.23 0.00 0.00 60.65 59.08 2gum s ILE 675 Cb -0.20 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2gum s ILE 675 CO -0.04 0.52 -0.19 0.42 -1.23 0.00 0.00 174.94 174.43 2gum s THR 676 N -0.44 1.63 0.55 2.92 -4.23 -1.26 -5.13 115.64 109.68 2gum s THR 676 Ca 0.16 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 2gum s THR 676 Cb -0.13 -1.58 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 2gum s THR 676 CO 0.05 -0.19 1.04 -0.04 -0.54 0.00 0.00 174.62 174.95 2gum s MET 677 N -2.21 3.55 -0.03 3.99 -1.94 -1.26 -5.01 119.30 116.39 2gum s MET 677 Ca 0.08 1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 55.00 2gum s MET 677 Cb -0.08 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.67 2gum s MET 677 CO 0.04 -0.63 0.97 -1.17 -0.01 0.00 0.00 175.02 174.23 2gum s LEU 678 N -4.10 4.34 0.49 -0.03 2.96 -1.26 -5.02 118.68 116.06 2gum s LEU 678 Ca 0.64 1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 56.08 2gum s LEU 678 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2gum s LEU 678 CO 0.30 -0.30 0.84 -1.83 -1.32 0.00 0.00 176.35 174.05 2gum s GLU 679 N 1.24 3.63 0.61 1.98 1.03 -1.26 -5.03 118.70 120.90 2gum s GLU 679 Ca 0.50 0.41 -0.19 0.00 0.03 0.00 0.00 54.97 55.73 2gum s GLU 679 Cb -0.20 -2.31 -0.03 0.00 -0.80 0.00 0.00 34.13 30.79 2gum s GLU 679 CO 0.25 -0.25 1.17 -0.25 -1.33 0.00 0.00 175.26 174.85 2gum n ASP 680 N -2.11 1.61 -3.79 0.83 10.43 -1.26 -5.03 116.55 117.24 2gum n ASP 680 Ca 0.02 0.84 -0.13 0.00 2.57 0.00 0.00 54.79 58.10 2gum n ASP 680 Cb 0.55 -1.49 -0.11 0.00 1.84 0.00 0.00 41.12 41.90 2gum n ASP 680 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 2gum s HIS 681 N -1.42 -0.27 -0.16 1.24 2.46 -1.26 -5.15 115.29 110.73 2gum s HIS 681 Ca 0.78 0.65 -0.03 0.00 0.47 0.00 0.00 55.06 56.93 2gum s HIS 681 Cb -0.40 0.09 -0.02 0.00 -0.13 0.00 0.00 32.58 32.12 2gum s HIS 681 CO 0.44 -0.14 -0.05 -1.21 -2.47 0.00 0.00 174.74 171.31 2gum s GLU 682 N 0.07 3.61 -0.26 2.88 0.41 -1.26 -5.09 118.70 119.06 2gum s GLU 682 Ca -0.01 -0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 53.89 2gum s GLU 682 Cb -0.02 -2.90 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 2gum s GLU 682 CO 0.00 0.20 0.20 -0.06 -0.49 0.00 0.00 175.26 175.11 2gum s PHE 683 N 0.47 3.27 0.20 1.61 0.40 -1.26 -5.08 117.98 117.59 2gum s PHE 683 Ca -0.04 0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2gum s PHE 683 Cb -0.14 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 2gum s PHE 683 CO 0.03 -0.06 0.39 0.14 0.70 0.00 0.00 175.22 176.41 2gum s VAL 684 N 1.47 5.21 0.35 -0.44 -7.23 -1.26 -5.04 120.40 113.46 2gum s VAL 684 Ca 0.08 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.59 2gum s VAL 684 Cb -0.15 -3.74 -0.12 0.00 0.56 0.00 0.00 36.38 32.94 2gum s VAL 684 CO 0.08 -0.18 1.34 -2.65 -0.31 0.00 0.00 175.10 173.39 2gum n PRO 685 N -0.68 2.26 -3.66 4.82 -0.02 -1.26 -4.99 135.00 131.48 2gum n PRO 685 Ca -0.05 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2gum n PRO 685 Cb 0.54 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 2gum n PRO 685 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2gum s LEU 686 N -1.26 -0.77 0.05 2.45 2.96 -1.26 -5.15 118.68 115.70 2gum s LEU 686 Ca 0.55 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.72 2gum s LEU 686 Cb -0.55 1.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.86 2gum s LEU 686 CO 0.63 -0.22 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.68 2gum s GLU 687 N 2.48 0.91 -0.10 1.98 2.02 -1.26 -5.05 118.70 119.67 2gum s GLU 687 Ca -0.05 -0.85 -0.21 0.00 0.02 0.00 0.00 54.97 53.89 2gum s GLU 687 Cb -0.11 -0.93 -0.18 0.00 0.10 0.00 0.00 34.13 33.02 2gum s GLU 687 CO -0.15 0.22 0.69 0.28 0.02 0.00 0.00 175.26 176.32 2gum h VAL 688 N 4.41 1.15 -3.36 2.63 2.07 -2.06 -3.44 116.25 117.64 2gum h VAL 688 Ca -0.39 -1.64 -0.60 0.00 0.82 0.00 0.00 66.70 64.88 2gum h VAL 688 Cb 1.18 2.08 -0.33 0.00 -1.52 0.00 0.00 31.29 32.70 2gum h VAL 688 CO 0.42 0.36 -0.85 -0.31 0.02 0.00 0.00 177.57 177.21 2gum s TYR 689 N -2.60 2.03 0.70 1.57 1.51 -1.26 -5.13 117.35 114.17 2gum s TYR 689 Ca -0.13 -0.83 -0.11 0.00 -1.01 0.00 0.00 57.07 54.99 2gum s TYR 689 Cb -0.01 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 2gum s TYR 689 CO 0.49 -0.37 1.08 0.95 -1.11 0.00 0.00 175.55 176.59 2gum s THR 690 N 0.56 3.75 0.45 -0.71 -4.23 -1.26 -4.88 115.64 109.32 2gum s THR 690 Ca -0.16 0.57 0.32 0.00 -1.18 0.00 0.00 61.69 61.24 2gum s THR 690 Cb -0.17 -3.51 0.34 0.00 1.34 0.00 0.00 72.50 70.51 2gum s THR 690 CO 0.05 -0.74 2.15 0.08 -0.54 0.00 0.00 174.62 175.62 2gum h ARG 691 N -0.64 0.00 -0.18 3.99 0.11 -2.00 -1.15 114.38 114.50 2gum h ARG 691 Ca -0.45 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.45 2gum h ARG 691 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2gum h ARG 691 CO 0.62 0.06 -0.63 0.45 0.10 0.00 0.00 179.97 180.58 2gum h HIS 692 N 0.00 0.83 -0.51 4.08 3.86 -1.99 -0.26 115.15 121.15 2gum h HIS 692 Ca -0.00 -0.32 -0.07 0.00 -1.16 0.00 0.00 60.37 58.82 2gum h HIS 692 Cb 0.24 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2gum h HIS 692 CO 0.00 1.10 0.05 0.93 0.86 0.00 0.00 177.93 180.87 2gum h GLU 693 N 0.47 0.87 -0.21 2.45 5.08 -1.59 0.42 114.58 122.07 2gum h GLU 693 Ca -0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2gum h GLU 693 Cb 1.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2gum h GLU 693 CO 0.12 0.88 0.13 0.82 -1.00 0.00 0.00 179.01 179.96 2gum h ILE 694 N 0.75 1.08 -0.58 3.13 2.04 -1.28 0.82 117.51 123.47 2gum h ILE 694 Ca 0.15 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2gum h ILE 694 Cb 0.45 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2gum h ILE 694 CO 0.02 0.08 0.27 0.50 0.00 0.00 0.00 178.15 179.02 2gum h LYS 695 N 0.26 0.49 0.00 2.37 3.64 -0.73 -1.33 116.57 121.27 2gum h LYS 695 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2gum h LYS 695 Cb 0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2gum h LYS 695 CO -0.01 0.33 0.00 0.22 -2.27 0.00 0.00 179.45 177.71 2gum h ASP 696 N 0.51 0.00 0.15 4.20 1.82 -0.40 -3.17 116.42 119.52 2gum h ASP 696 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2gum h ASP 696 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2gum h ASP 696 CO -0.22 0.00 0.00 0.77 -1.61 0.00 0.00 179.24 178.18 2gum h SER 697 N 0.00 0.00 -3.31 2.28 4.64 0.36 -3.42 113.55 114.10 2gum h SER 697 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2gum h SER 697 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2gum h SER 697 CO 0.00 0.00 0.46 -0.83 -0.87 0.00 0.00 176.83 175.59 2gum s GLY 698 N -4.10 2.67 0.11 -0.77 0.00 -1.20 -4.96 107.32 99.07 2gum s GLY 698 Ca -0.04 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.03 2gum s GLY 698 CO 0.41 1.85 1.62 -2.00 0.00 0.00 0.00 173.10 174.98 2gum h LEU 699 N 6.97 -0.90 -8.66 0.66 5.85 -1.93 -3.41 115.31 113.90 2gum h LEU 699 Ca -0.40 0.10 -0.67 0.00 0.84 0.00 0.00 57.88 57.75 2gum h LEU 699 Cb 1.21 0.34 -0.27 0.00 0.37 0.00 0.00 40.66 42.31 2gum h LEU 699 CO 0.78 -0.40 -0.78 -0.76 -0.34 0.00 0.00 178.44 176.94 2gum s LEU 700 N -10.29 2.63 -0.37 2.25 1.43 -1.26 -5.10 118.68 107.96 2gum s LEU 700 Ca -0.16 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 2gum s LEU 700 Cb 0.08 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.75 2gum s LEU 700 CO 0.65 0.21 0.22 -0.62 0.23 0.00 0.00 176.35 177.04 2gum s ASP 701 N 0.05 5.81 0.19 2.29 -1.08 -1.26 -4.99 116.67 117.68 2gum s ASP 701 Ca -0.06 -0.90 -0.12 0.00 -0.52 0.00 0.00 52.55 50.95 2gum s ASP 701 Cb -0.15 -2.05 0.22 0.00 -1.46 0.00 0.00 42.92 39.48 2gum s ASP 701 CO 0.05 -0.37 1.69 0.22 0.52 0.00 0.00 175.17 177.27 2gum h TYR 702 N 8.47 0.03 -0.44 -5.34 3.20 -1.98 0.51 116.97 121.42 2gum h TYR 702 Ca -0.27 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.67 2gum h TYR 702 Cb 1.11 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 2gum h TYR 702 CO 0.58 -0.09 0.23 1.15 -1.64 0.00 0.00 178.16 178.38 2gum h THR 703 N 0.15 0.98 -0.70 1.81 2.02 -1.99 0.26 112.91 115.44 2gum h THR 703 Ca 0.27 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 2gum h THR 703 Cb 0.41 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2gum h THR 703 CO -0.42 0.08 0.24 -0.33 0.37 0.00 0.00 175.52 175.46 2gum h GLU 704 N 0.46 1.08 -0.32 6.66 4.39 -1.73 -0.17 114.58 124.96 2gum h GLU 704 Ca 0.19 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 2gum h GLU 704 Cb 0.08 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2gum h GLU 704 CO -0.12 0.92 -0.35 0.28 -1.16 0.00 0.00 179.01 178.58 2gum h VAL 705 N 1.03 1.28 -0.06 3.13 2.07 -0.54 -2.32 116.25 120.85 2gum h VAL 705 Ca 0.23 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 2gum h VAL 705 Cb 0.28 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2gum h VAL 705 CO -0.01 0.49 -0.09 1.56 0.02 0.00 0.00 177.57 179.54 2gum h GLN 706 N 0.60 0.16 -0.27 1.57 1.08 -0.76 -1.39 115.11 116.10 2gum h GLN 706 Ca 0.06 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2gum h GLN 706 Cb 0.88 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.25 2gum h GLN 706 CO 0.08 0.66 -0.19 -0.09 -0.95 0.00 0.00 178.83 178.34 2gum h ARG 707 N -0.33 -0.16 -0.23 1.46 1.12 -1.04 -1.42 114.38 113.78 2gum h ARG 707 Ca 0.00 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 2gum h ARG 707 Cb 0.64 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.63 2gum h ARG 707 CO 0.02 -0.11 0.03 -0.09 -3.11 0.00 0.00 179.97 176.71 2gum h ARG 708 N -0.17 0.38 -0.00 0.20 2.43 -1.45 -3.19 114.38 112.58 2gum h ARG 708 Ca 0.15 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2gum h ARG 708 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2gum h ARG 708 CO -0.37 0.53 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.43 2gum h ASN 709 N 0.18 0.01 0.46 -3.80 4.21 -1.03 -2.29 115.58 113.32 2gum h ASN 709 Ca 0.07 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 2gum h ASN 709 Cb 0.33 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2gum h ASN 709 CO 0.01 0.28 -0.05 0.00 -1.29 0.00 0.00 177.43 176.38 2gum n GLN 710 N -4.21 0.55 -0.23 0.81 6.02 -0.56 -2.82 117.38 116.94 2gum n GLN 710 Ca -0.02 -0.08 0.09 0.00 -0.01 0.00 0.00 57.00 56.98 2gum n GLN 710 Cb 0.33 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.34 2gum n GLN 710 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gum n LEU 711 N -1.15 2.77 0.10 1.08 4.77 -0.86 -4.48 117.00 119.23 2gum n LEU 711 Ca 0.15 -1.32 -0.13 0.00 -0.03 0.00 0.00 56.01 54.68 2gum n LEU 711 Cb 0.25 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2gum n LEU 711 CO 0.23 0.66 0.82 -0.74 -1.33 0.00 0.00 177.39 177.03 2gum h HIS 712 N 3.21 -0.19 -0.63 -1.77 2.76 -1.62 -1.71 115.15 115.20 2gum h HIS 712 Ca 0.00 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2gum h HIS 712 Cb 0.72 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 2gum h HIS 712 CO 0.30 -0.12 0.06 -0.44 -1.30 0.00 0.00 177.93 176.43 2gum h ASP 713 N -0.19 1.04 0.60 3.26 3.32 -1.85 0.20 116.42 122.79 2gum h ASP 713 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2gum h ASP 713 Cb 0.16 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2gum h ASP 713 CO 0.01 1.06 0.00 -0.07 -1.72 0.00 0.00 179.24 178.52 2gum h LEU 714 N 0.98 0.00 0.00 1.55 3.38 -1.75 0.99 115.31 120.46 2gum h LEU 714 Ca 0.19 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.76 2gum h LEU 714 Cb 0.49 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2gum h LEU 714 CO 0.02 0.00 -2.47 0.54 0.09 0.00 0.00 178.44 176.62 2gum n ARG 715 N -3.07 0.62 -0.20 1.13 1.74 -0.65 -4.68 116.66 111.55 2gum n ARG 715 Ca -0.01 0.17 0.06 0.00 -0.77 0.00 0.00 57.85 57.30 2gum n ARG 715 Cb 0.21 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.30 2gum n ARG 715 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2gum n PHE 716 N -3.48 0.48 -3.95 -1.55 3.01 0.67 -5.04 117.46 107.60 2gum n PHE 716 Ca -0.47 -0.55 -0.09 0.00 1.01 0.00 0.00 57.45 57.34 2gum n PHE 716 Cb 0.96 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 40.30 2gum n PHE 716 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gum s ALA 717 N -1.26 -0.26 -0.25 4.37 0.00 0.34 -4.97 121.76 119.73 2gum s ALA 717 Ca 0.24 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 2gum s ALA 717 Cb 0.14 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 2gum s ALA 717 CO 0.13 -0.79 0.09 0.34 0.00 0.00 0.00 175.76 175.54 2gum s ASP 718 N -2.98 5.33 0.01 0.00 -1.08 -1.26 -4.47 116.67 112.22 2gum s ASP 718 Ca 0.19 -0.14 0.21 0.00 -0.52 0.00 0.00 52.55 52.29 2gum s ASP 718 Cb 0.01 -1.96 -0.24 0.00 -1.46 0.00 0.00 42.92 39.27 2gum s ASP 718 CO 0.05 -0.01 0.60 2.30 0.52 0.00 0.00 175.17 178.62 2gum n ILE 719 N 4.78 0.37 -3.75 4.11 -5.35 -1.26 -4.67 119.36 113.60 2gum n ILE 719 Ca -0.16 -0.56 -0.33 0.00 -0.27 0.00 0.00 62.75 61.43 2gum n ILE 719 Cb 0.52 -0.18 -0.09 0.00 -1.74 0.00 0.00 39.64 38.15 2gum n ILE 719 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2gum s ASP 720 N -4.91 5.50 -0.30 7.28 1.01 -1.26 -4.97 116.67 119.02 2gum s ASP 720 Ca -0.06 -3.74 -0.15 0.00 0.71 0.00 0.00 52.55 49.31 2gum s ASP 720 Cb 0.12 -1.80 0.17 0.00 1.01 0.00 0.00 42.92 42.42 2gum s ASP 720 CO 0.87 -0.15 1.04 -0.89 0.21 0.00 0.00 175.17 176.24 2gum s THR 721 N -1.34 -0.42 -0.11 -1.27 2.01 -1.26 -5.15 115.64 108.09 2gum s THR 721 Ca 0.26 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 2gum s THR 721 Cb -0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2gum s THR 721 CO -0.14 0.00 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.02 2gum s VAL 722 N 2.48 3.53 -0.66 3.82 1.01 -1.26 -5.11 120.40 124.21 2gum s VAL 722 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2gum s VAL 722 Cb -0.06 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.88 2gum s VAL 722 CO -0.16 0.55 0.67 -0.38 0.00 0.00 0.00 175.10 175.77