#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gum n ASP 110 N 0.00 0.04 -0.82 8.00 -0.08 -1.26 -4.95 116.55 117.48 2gum n ASP 110 Ca 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 54.79 50.70 2gum n ASP 110 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 2gum n ASP 110 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gum n ALA 111 N 2.08 2.24 -2.31 -1.67 0.00 -1.26 -4.76 120.51 114.84 2gum n ALA 111 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 2gum n ALA 111 Cb 0.50 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 0.57 6.93 0.46 0.00 3.04 -1.26 -4.66 114.94 120.02 2gum s ASN 112 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 52.86 54.07 2gum s ASN 112 Cb 0.00 -2.33 -0.00 0.00 -1.54 0.00 0.00 41.25 37.38 2gum s ASN 112 CO 0.00 0.17 0.68 -0.36 -3.04 0.00 0.00 177.10 174.55 2gum s PHE 113 N -1.33 3.21 -0.01 0.43 0.40 -0.85 -4.92 117.98 114.92 2gum s PHE 113 Ca 0.34 0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2gum s PHE 113 Cb -0.17 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.02 2gum s PHE 113 CO 0.19 -0.39 0.10 0.71 0.70 0.00 0.00 175.22 176.52 2gum s TYR 114 N -2.58 0.03 -0.11 0.36 1.51 -0.99 -0.79 117.35 114.78 2gum s TYR 114 Ca 0.49 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.51 2gum s TYR 114 Cb -0.10 -0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.69 2gum s TYR 114 CO 0.38 -0.19 -0.15 0.08 -1.11 0.00 0.00 175.55 174.57 2gum s VAL 115 N -0.88 2.91 -0.40 0.71 1.01 -0.18 0.16 120.40 123.73 2gum s VAL 115 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2gum s VAL 115 Cb -0.06 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.25 2gum s VAL 115 CO 0.01 0.54 0.15 0.00 0.00 0.00 0.00 175.10 175.80 2gum n PRO 117 N 3.89 1.30 -1.67 0.00 -0.02 -1.26 -4.84 135.00 132.40 2gum n PRO 117 Ca 0.04 0.48 -0.45 0.00 -2.02 0.00 0.00 63.50 61.55 2gum n PRO 117 Cb 0.38 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.49 2.10 -2.10 0.52 -0.02 -1.26 -4.82 135.00 128.93 2gum n PRO 118 Ca 0.11 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.97 2gum n PRO 118 Cb 0.43 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.20 3.45 0.29 0.52 0.02 -1.26 -4.98 135.00 133.24 2gum s PRO 119 Ca 0.73 1.88 0.10 0.00 0.02 0.00 0.00 61.00 63.73 2gum s PRO 119 Cb -0.66 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 2gum s PRO 119 CO 0.44 -0.84 -0.05 0.95 -0.33 0.00 0.00 177.00 177.18 2gum s THR 120 N -1.51 2.95 -0.83 0.99 -4.23 -1.26 -4.96 115.64 106.78 2gum s THR 120 Ca 0.68 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2gum s THR 120 Cb -0.31 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2gum s THR 120 CO 0.37 -0.33 0.72 0.61 -0.54 0.00 0.00 174.62 175.45 2gum n GLY 121 N -0.84 -0.26 0.27 3.99 0.00 -1.26 -3.17 105.19 103.91 2gum n GLY 121 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2gum n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gum n ALA 122 N -1.22 -0.41 -2.92 4.61 0.00 -1.26 -4.20 120.51 115.11 2gum n ALA 122 Ca 0.00 0.54 -0.32 0.00 0.00 0.00 0.00 53.44 53.66 2gum n ALA 122 Cb 0.12 -0.04 -0.17 0.00 0.00 0.00 0.00 19.45 19.37 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 -5.03 2.06 0.01 0.00 2.01 -1.19 -5.06 115.64 108.44 2gum s THR 123 Ca -0.08 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.91 2gum s THR 123 Cb 0.07 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 2gum s THR 123 CO 0.39 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.08 2gum s VAL 124 N 0.03 0.93 0.06 3.82 1.01 -1.26 -0.74 120.40 124.25 2gum s VAL 124 Ca -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2gum s VAL 124 Cb -0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2gum s VAL 124 CO 0.06 0.10 -0.06 0.68 0.00 0.00 0.00 175.10 175.88 2gum s VAL 125 N -0.58 0.47 0.14 2.92 -7.23 0.18 -4.93 120.40 111.37 2gum s VAL 125 Ca 0.02 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 2gum s VAL 125 Cb -0.06 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2gum s VAL 125 CO 0.00 -0.75 -0.15 0.00 -0.31 0.00 0.00 175.10 173.89 2gum s GLN 126 N -3.04 1.13 0.32 4.82 -2.07 -1.26 -1.14 119.66 118.43 2gum s GLN 126 Ca 0.02 -1.33 -0.23 0.00 -1.82 0.00 0.00 55.36 52.01 2gum s GLN 126 Cb 0.01 -1.06 -0.10 0.00 -1.09 0.00 0.00 33.01 30.76 2gum s GLN 126 CO -0.04 0.21 0.88 -0.06 -1.32 0.00 0.00 175.29 174.95 2gum s PHE 127 N -2.20 3.58 0.37 9.60 2.99 -1.26 -5.02 117.98 126.04 2gum s PHE 127 Ca 0.12 1.61 -0.27 0.00 0.00 0.00 0.00 56.93 58.39 2gum s PHE 127 Cb -0.05 -2.81 -0.09 0.00 0.00 0.00 0.00 43.02 40.07 2gum s PHE 127 CO 0.04 0.16 1.27 -2.00 -0.00 0.00 0.00 175.22 174.70 2gum s GLU 128 N -2.34 4.18 0.54 0.44 2.12 -1.26 -5.01 118.70 117.36 2gum s GLU 128 Ca 0.51 2.10 -0.04 0.00 0.36 0.00 0.00 54.97 57.91 2gum s GLU 128 Cb -0.15 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.35 2gum s GLU 128 CO 0.20 -0.30 0.82 -0.65 -0.54 0.00 0.00 175.26 174.79 2gum s GLN 129 N -2.02 2.98 0.15 4.30 -1.52 -1.26 -5.00 119.66 117.28 2gum s GLN 129 Ca 0.53 -0.19 -0.31 0.00 -1.95 0.00 0.00 55.36 53.44 2gum s GLN 129 Cb -0.37 -2.38 -0.18 0.00 -0.22 0.00 0.00 33.01 29.86 2gum s GLN 129 CO 0.48 -0.54 0.72 -2.30 -0.25 0.00 0.00 175.29 173.41 2gum n PRO 130 N -2.40 0.12 -3.17 2.91 -0.02 -1.26 -4.97 135.00 126.22 2gum n PRO 130 Ca 0.03 0.04 -0.28 0.00 -2.02 0.00 0.00 63.50 61.28 2gum n PRO 130 Cb 0.58 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.72 3.63 -0.29 -0.52 0.52 -1.26 -5.03 118.95 115.28 2gum s ARG 131 Ca 0.71 0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.70 2gum s ARG 131 Cb -1.01 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 31.91 2gum s ARG 131 CO 0.56 0.11 1.06 0.50 0.02 0.00 0.00 175.30 177.55 2gum s ARG 132 N -3.86 4.14 0.59 3.54 3.52 -1.26 -5.00 118.95 120.62 2gum s ARG 132 Ca 0.45 1.17 -0.15 0.00 -0.13 0.00 0.00 55.73 57.08 2gum s ARG 132 Cb -0.10 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2gum s ARG 132 CO 0.33 -0.80 1.04 0.00 -0.81 0.00 0.00 175.30 175.06 2gum s PRO 134 N -4.29 0.73 0.17 0.00 0.02 -1.26 -5.05 135.00 125.32 2gum s PRO 134 Ca 0.61 0.85 0.11 0.00 0.02 0.00 0.00 61.00 62.58 2gum s PRO 134 Cb -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2gum s PRO 134 CO 0.39 -2.61 -0.22 0.95 -0.33 0.00 0.00 177.00 175.19 2gum s THR 135 N -2.83 2.52 0.04 0.99 -4.23 -1.26 -4.89 115.64 105.98 2gum s THR 135 Ca 0.65 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 2gum s THR 135 Cb -0.20 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 2gum s THR 135 CO 0.58 -0.03 1.31 -0.13 -0.54 0.00 0.00 174.62 175.81 2gum s ARG 136 N -2.47 4.35 0.58 3.99 0.52 -1.26 -4.97 118.95 119.69 2gum s ARG 136 Ca 0.19 1.89 -0.18 0.00 -0.52 0.00 0.00 55.73 57.11 2gum s ARG 136 Cb -0.09 -3.42 -0.11 0.00 0.52 0.00 0.00 34.95 31.85 2gum s ARG 136 CO 0.10 -0.42 0.21 -2.30 0.02 0.00 0.00 175.30 172.90 2gum n PRO 137 N 4.56 0.26 -0.16 3.54 -0.02 -1.26 -4.85 135.00 137.07 2gum n PRO 137 Ca 0.11 0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.63 2gum n PRO 137 Cb 0.45 -1.40 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.02 -0.20 0.00 -0.52 5.08 -2.08 -3.48 114.58 113.40 2gum h GLU 138 Ca -0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2gum h GLU 138 Cb 1.41 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2gum h GLU 138 CO 0.43 -0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 2gum n GLY 139 N -1.42 3.34 3.77 -3.84 0.00 -1.26 -5.08 105.19 100.70 2gum n GLY 139 Ca 0.02 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.88 4.29 -0.38 1.61 -1.52 -1.26 -5.02 119.66 112.50 2gum s GLN 140 Ca 0.00 1.99 -0.13 0.00 -1.95 0.00 0.00 55.36 55.27 2gum s GLN 140 Cb 0.00 -2.94 0.02 0.00 -0.22 0.00 0.00 33.01 29.87 2gum s GLN 140 CO 0.00 -0.16 0.25 -0.80 -0.25 0.00 0.00 175.29 174.33 2gum s ASN 141 N -0.82 5.93 0.06 5.90 -0.87 -1.26 -5.08 114.94 118.80 2gum s ASN 141 Ca 0.51 -0.87 0.01 0.00 -1.57 0.00 0.00 52.86 50.94 2gum s ASN 141 Cb -0.35 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 38.75 2gum s ASN 141 CO 0.45 -0.39 0.17 -0.31 -2.57 0.00 0.00 177.10 174.45 2gum s TYR 142 N 1.63 3.43 -0.22 2.20 1.51 -1.26 -4.51 117.35 120.13 2gum s TYR 142 Ca 0.04 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.30 2gum s TYR 142 Cb -0.19 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2gum s TYR 142 CO 0.09 0.57 -0.11 0.99 -1.11 0.00 0.00 175.55 175.97 2gum s THR 143 N -1.47 2.61 0.37 -0.71 2.01 0.11 -4.90 115.64 113.66 2gum s THR 143 Ca 0.33 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 2gum s THR 143 Cb -0.13 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.05 2gum s THR 143 CO 0.26 0.36 1.33 -1.61 -0.69 0.00 0.00 174.62 174.27 2gum s GLU 144 N 1.33 4.17 0.18 4.92 2.02 -1.26 -1.45 118.70 128.61 2gum s GLU 144 Ca 0.03 2.25 -0.24 0.00 0.02 0.00 0.00 54.97 57.03 2gum s GLU 144 Cb -0.15 -2.94 0.05 0.00 0.10 0.00 0.00 34.13 31.19 2gum s GLU 144 CO -0.08 -0.36 0.84 0.20 0.02 0.00 0.00 175.26 175.89 2gum s GLY 145 N -0.52 -0.23 -0.09 -1.39 0.00 -1.00 -0.98 107.32 103.11 2gum s GLY 145 Ca 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.31 2gum s GLY 145 CO 0.53 0.01 -0.04 -0.42 0.00 0.00 0.00 173.10 173.18 2gum s ILE 146 N -3.53 3.97 0.07 0.90 1.01 -0.79 -0.62 121.20 122.22 2gum s ILE 146 Ca 0.10 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2gum s ILE 146 Cb -0.03 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2gum s ILE 146 CO 0.02 0.58 -0.07 0.00 0.00 0.00 0.00 174.94 175.47 2gum s ALA 147 N -0.61 0.79 -0.09 9.38 0.00 -0.38 -1.25 121.76 129.61 2gum s ALA 147 Ca 0.09 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 2gum s ALA 147 Cb -0.12 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2gum s ALA 147 CO 0.02 -0.17 -0.05 0.08 0.00 0.00 0.00 175.76 175.64 2gum s VAL 148 N -2.83 0.77 -0.18 0.00 1.01 -0.51 -0.16 120.40 118.50 2gum s VAL 148 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2gum s VAL 148 Cb -0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2gum s VAL 148 CO -0.03 0.32 0.12 -0.69 0.00 0.00 0.00 175.10 174.81 2gum s VAL 149 N 1.64 5.29 0.15 2.92 1.01 0.11 -1.08 120.40 130.44 2gum s VAL 149 Ca 0.02 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2gum s VAL 149 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2gum s VAL 149 CO -0.06 0.49 -0.10 -0.36 0.00 0.00 0.00 175.10 175.07 2gum s PHE 150 N 0.04 2.66 0.15 5.22 0.40 0.69 0.35 117.98 127.49 2gum s PHE 150 Ca 0.09 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2gum s PHE 150 Cb -0.11 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 2gum s PHE 150 CO -0.00 0.47 -0.07 -1.59 0.70 0.00 0.00 175.22 174.73 2gum s LYS 151 N -2.59 1.06 0.36 0.44 -2.85 -0.56 -1.64 119.74 113.97 2gum s LYS 151 Ca 0.23 -1.47 -0.28 0.00 -1.00 0.00 0.00 55.97 53.45 2gum s LYS 151 Cb -0.10 -0.52 -0.12 0.00 -2.06 0.00 0.00 37.83 35.03 2gum s LYS 151 CO 0.14 0.02 1.38 -1.91 0.10 0.00 0.00 175.35 175.08 2gum n GLU 152 N -0.20 2.37 -3.18 1.78 2.13 -1.26 -0.20 120.64 122.07 2gum n GLU 152 Ca -0.10 0.83 -0.40 0.00 0.66 0.00 0.00 57.16 58.16 2gum n GLU 152 Cb 0.61 -2.48 -0.06 0.00 0.27 0.00 0.00 31.44 29.78 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 -0.23 6.64 0.00 4.31 2.47 -0.51 -4.58 114.94 123.04 2gum s ASN 153 Ca 0.54 0.77 0.12 0.00 0.42 0.00 0.00 52.86 54.72 2gum s ASN 153 Cb -0.53 -2.32 0.05 0.00 -1.45 0.00 0.00 41.25 37.00 2gum s ASN 153 CO 0.63 -0.22 0.80 2.30 -3.72 0.00 0.00 177.10 176.89 2gum n ILE 154 N 4.57 0.00 -2.80 -5.21 -5.35 -1.26 -4.87 119.36 104.44 2gum n ILE 154 Ca -0.03 -0.44 -0.41 0.00 -0.27 0.00 0.00 62.75 61.60 2gum n ILE 154 Cb 0.50 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.56 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 -1.27 3.25 0.97 -1.28 0.00 -1.26 -5.04 121.76 117.13 2gum s ALA 155 Ca 0.12 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2gum s ALA 155 Cb 0.10 -3.22 0.17 0.00 0.00 0.00 0.00 23.12 20.17 2gum s ALA 155 CO 0.22 -0.09 1.09 -2.14 0.00 0.00 0.00 175.76 174.85 2gum s PRO 156 N 0.40 0.64 -0.02 0.00 0.02 -1.26 -4.97 135.00 129.81 2gum s PRO 156 Ca 0.46 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 2gum s PRO 156 Cb -0.22 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 2gum s PRO 156 CO 0.27 -2.74 1.07 -0.47 -0.33 0.00 0.00 177.00 174.79 2gum s TYR 157 N -2.71 3.50 -0.09 6.54 5.04 0.16 -4.82 117.35 124.98 2gum s TYR 157 Ca 0.66 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.82 2gum s TYR 157 Cb -0.21 -3.25 -0.02 0.00 0.35 0.00 0.00 41.96 38.83 2gum s TYR 157 CO 0.59 -0.54 -0.15 0.15 -1.34 0.00 0.00 175.55 174.26 2gum s LYS 158 N 1.44 2.89 0.09 4.97 1.02 -1.26 -1.06 119.74 127.83 2gum s LYS 158 Ca 0.53 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.60 2gum s LYS 158 Cb -0.23 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2gum s LYS 158 CO 0.25 0.41 0.48 -0.59 -0.92 0.00 0.00 175.35 174.97 2gum s PHE 159 N -0.17 -0.34 0.29 3.18 -0.12 -0.55 -4.98 117.98 115.29 2gum s PHE 159 Ca -0.01 0.22 -0.19 0.00 -0.05 0.00 0.00 56.93 56.90 2gum s PHE 159 Cb -0.13 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.49 2gum s PHE 159 CO 0.03 -0.68 0.79 0.15 -0.05 0.00 0.00 175.22 175.46 2gum s LYS 160 N -3.07 4.23 0.15 1.99 -0.14 -1.26 -0.19 119.74 121.45 2gum s LYS 160 Ca -0.02 0.92 -0.08 0.00 -1.36 0.00 0.00 55.97 55.43 2gum s LYS 160 Cb 0.00 -2.65 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 2gum s LYS 160 CO -0.07 0.26 0.25 0.00 -0.76 0.00 0.00 175.35 175.03 2gum s ALA 161 N -1.75 0.07 -0.03 5.17 0.00 -0.71 -4.51 121.76 120.00 2gum s ALA 161 Ca 0.50 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2gum s ALA 161 Cb -0.14 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2gum s ALA 161 CO 0.19 -0.62 -0.15 0.99 0.00 0.00 0.00 175.76 176.18 2gum s THR 162 N -3.97 1.21 -0.13 0.00 2.01 0.90 -0.97 115.64 114.70 2gum s THR 162 Ca 0.17 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2gum s THR 162 Cb 0.04 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2gum s THR 162 CO -0.01 0.35 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.23 2gum s MET 163 N -0.05 3.48 -0.23 4.92 -1.94 0.13 -0.83 119.30 124.78 2gum s MET 163 Ca -0.01 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 2gum s MET 163 Cb -0.09 -2.92 0.06 0.00 2.01 0.00 0.00 34.83 33.89 2gum s MET 163 CO 0.01 0.41 -0.04 0.71 -0.01 0.00 0.00 175.02 176.10 2gum s TYR 164 N -0.07 2.12 0.20 -0.03 1.51 0.18 -1.35 117.35 119.91 2gum s TYR 164 Ca 0.03 -1.57 -0.16 0.00 -1.01 0.00 0.00 57.07 54.36 2gum s TYR 164 Cb -0.13 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2gum s TYR 164 CO 0.02 -0.74 0.49 1.52 -1.11 0.00 0.00 175.55 175.73 2gum s TYR 165 N 1.49 0.03 -0.08 2.71 -0.85 -0.73 -1.53 117.35 118.38 2gum s TYR 165 Ca -0.05 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 2gum s TYR 165 Cb -0.18 0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.47 2gum s TYR 165 CO -0.06 -0.91 -0.18 0.15 -1.52 0.00 0.00 175.55 173.02 2gum s LYS 166 N -3.91 2.34 -0.29 -3.49 1.02 0.99 0.03 119.74 116.44 2gum s LYS 166 Ca 0.12 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 2gum s LYS 166 Cb -0.00 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2gum s LYS 166 CO -0.00 0.12 1.08 -0.51 -0.92 0.00 0.00 175.35 175.12 2gum s ASP 167 N 0.46 6.97 -0.19 2.83 -0.00 0.03 -0.64 116.67 126.14 2gum s ASP 167 Ca -0.16 1.18 -0.03 0.00 -0.00 0.00 0.00 52.55 53.54 2gum s ASP 167 Cb -0.17 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.20 2gum s ASP 167 CO 0.06 -0.82 -0.07 -0.69 -0.00 0.00 0.00 175.17 173.64 2gum s VAL 168 N 3.55 3.28 -0.02 -1.27 1.01 0.15 -1.62 120.40 125.48 2gum s VAL 168 Ca 0.46 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2gum s VAL 168 Cb -0.14 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2gum s VAL 168 CO 0.13 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 2gum s THR 169 N 1.05 1.05 -0.26 3.92 2.01 -0.73 -0.48 115.64 122.20 2gum s THR 169 Ca 0.00 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 2gum s THR 169 Cb -0.15 -0.89 0.08 0.00 0.01 0.00 0.00 72.50 71.56 2gum s THR 169 CO -0.01 0.30 0.08 0.54 -0.69 0.00 0.00 174.62 174.84 2gum s VAL 170 N -0.21 0.55 0.38 3.82 0.11 -0.30 -0.13 120.40 124.63 2gum s VAL 170 Ca 0.03 -0.92 -0.10 0.00 -2.93 0.00 0.00 61.98 58.05 2gum s VAL 170 Cb -0.06 -1.27 -0.06 0.00 -1.53 0.00 0.00 36.38 33.45 2gum s VAL 170 CO -0.00 -0.49 0.74 -0.94 -3.33 0.00 0.00 175.10 171.08 2gum s SER 171 N 1.81 6.53 -0.16 3.54 1.04 -0.64 -2.00 113.70 123.82 2gum s SER 171 Ca 0.05 1.09 -0.00 0.00 0.48 0.00 0.00 55.95 57.57 2gum s SER 171 Cb -0.17 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2gum s SER 171 CO -0.20 -0.36 -0.06 -1.58 0.98 0.00 0.00 173.24 172.02 2gum s GLN 172 N -3.74 1.45 -0.04 4.02 0.74 0.40 -1.50 119.66 121.00 2gum s GLN 172 Ca 0.50 -0.48 0.05 0.00 0.05 0.00 0.00 55.36 55.49 2gum s GLN 172 Cb -0.10 -1.94 -0.01 0.00 1.10 0.00 0.00 33.01 32.05 2gum s GLN 172 CO 0.30 -0.41 -0.20 0.14 -0.55 0.00 0.00 175.29 174.57 2gum s VAL 173 N 1.64 1.62 -0.29 1.34 -7.23 -0.67 0.62 120.40 117.44 2gum s VAL 173 Ca 0.01 -0.84 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 2gum s VAL 173 Cb -0.15 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2gum s VAL 173 CO -0.08 0.46 0.12 0.86 -0.31 0.00 0.00 175.10 176.15 2gum s TRP 174 N -0.19 3.15 -0.55 2.82 -0.00 -0.68 -2.20 118.94 121.28 2gum s TRP 174 Ca 0.01 -0.53 -0.25 0.00 -0.00 0.00 0.00 56.10 55.33 2gum s TRP 174 Cb -0.11 -2.31 0.04 0.00 -0.00 0.00 0.00 33.47 31.10 2gum s TRP 174 CO 0.01 -0.42 0.99 -0.06 -0.00 0.00 0.00 176.95 177.48 2gum s PHE 175 N 1.61 2.76 0.64 5.86 0.40 -1.08 -2.44 117.98 125.73 2gum s PHE 175 Ca 0.05 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.51 2gum s PHE 175 Cb -0.16 -4.16 0.12 0.00 0.51 0.00 0.00 43.02 39.32 2gum s PHE 175 CO 0.05 -1.39 0.87 0.41 0.70 0.00 0.00 175.22 175.87 2gum n GLY 176 N 5.10 1.14 3.65 4.36 0.00 0.69 -0.73 105.19 119.39 2gum n GLY 176 Ca 0.03 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2gum n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gum s HIS 177 N -2.72 2.66 0.00 1.61 2.46 -1.26 -2.85 115.29 115.19 2gum s HIS 177 Ca 0.61 0.86 0.00 0.00 0.47 0.00 0.00 55.06 57.00 2gum s HIS 177 Cb -0.04 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 2gum s HIS 177 CO 0.40 -1.98 0.00 0.54 -2.47 0.00 0.00 174.74 171.22 2gum n ARG 178 N 6.97 0.00 -3.95 2.88 1.74 -1.26 -4.98 116.66 118.06 2gum n ARG 178 Ca 0.15 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.13 2gum n ARG 178 Cb 0.45 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2gum n ARG 178 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2gum s TYR 179 N -3.43 0.37 -0.08 -1.55 -0.85 -1.13 -5.17 117.35 105.52 2gum s TYR 179 Ca 0.00 -0.80 -0.08 0.00 -0.52 0.00 0.00 57.07 55.67 2gum s TYR 179 Cb 0.00 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.74 2gum s TYR 179 CO 0.00 -1.22 0.22 -1.54 -1.52 0.00 0.00 175.55 171.49 2gum s SER 180 N -3.07 -0.21 -0.01 -0.18 1.04 -1.26 -0.22 113.70 109.79 2gum s SER 180 Ca 0.21 0.39 0.01 0.00 0.48 0.00 0.00 55.95 57.04 2gum s SER 180 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2gum s SER 180 CO 0.12 -0.11 -0.03 -1.58 0.98 0.00 0.00 173.24 172.62 2gum s GLN 181 N -0.02 0.35 0.04 4.02 0.74 -1.02 -4.98 119.66 118.80 2gum s GLN 181 Ca -0.01 -0.10 -0.31 0.00 0.05 0.00 0.00 55.36 54.99 2gum s GLN 181 Cb -0.02 -0.38 -0.07 0.00 1.10 0.00 0.00 33.01 33.64 2gum s GLN 181 CO 0.00 0.03 1.44 -0.06 -0.55 0.00 0.00 175.29 176.16 2gum s PHE 182 N 0.19 2.88 -0.14 1.67 0.08 -1.26 -1.68 117.98 119.72 2gum s PHE 182 Ca -0.02 0.76 0.20 0.00 0.12 0.00 0.00 56.93 58.00 2gum s PHE 182 Cb -0.05 -3.72 -0.17 0.00 -0.57 0.00 0.00 43.02 38.51 2gum s PHE 182 CO -0.00 -2.68 0.70 -1.33 -0.10 0.00 0.00 175.22 171.80 2gum n MET 183 N 5.04 0.64 0.00 0.44 2.81 0.20 -4.95 117.12 121.30 2gum n MET 183 Ca 0.13 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2gum n MET 183 Cb 0.43 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2gum n MET 183 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gum n GLY 184 N 1.33 1.37 2.99 3.03 0.00 -1.11 -4.98 105.19 107.82 2gum n GLY 184 Ca -0.08 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2gum n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gum s ILE 185 N -0.50 2.36 -0.07 -0.61 1.01 -1.26 -0.45 121.20 121.68 2gum s ILE 185 Ca 0.00 -2.68 -0.30 0.00 0.00 0.00 0.00 60.65 57.67 2gum s ILE 185 Cb 0.00 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2gum s ILE 185 CO 0.00 -0.67 1.06 0.12 0.00 0.00 0.00 174.94 175.44 2gum s PHE 186 N 0.49 3.46 0.04 3.97 5.36 -0.85 -4.92 117.98 125.54 2gum s PHE 186 Ca 0.13 1.51 0.08 0.00 -0.96 0.00 0.00 56.93 57.69 2gum s PHE 186 Cb -0.21 -3.24 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 2gum s PHE 186 CO -0.05 -0.49 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.79 2gum s GLU 187 N 1.87 1.52 0.12 10.12 2.02 -1.26 -1.15 118.70 131.94 2gum s GLU 187 Ca 0.51 -0.98 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 2gum s GLU 187 Cb -0.21 -1.64 0.08 0.00 0.10 0.00 0.00 34.13 32.46 2gum s GLU 187 CO 0.21 0.42 0.68 0.34 0.02 0.00 0.00 175.26 176.93 2gum s ASP 188 N -1.15 -0.51 -0.07 -0.19 2.15 0.37 -5.00 116.67 112.26 2gum s ASP 188 Ca 0.09 -0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.09 2gum s ASP 188 Cb -0.09 0.55 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2gum s ASP 188 CO 0.02 -0.89 -0.18 -0.13 -0.17 0.00 0.00 175.17 173.82 2gum s ARG 189 N -3.59 2.76 -0.06 4.34 0.52 -1.26 0.31 118.95 121.96 2gum s ARG 189 Ca 0.02 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 2gum s ARG 189 Cb -0.01 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 2gum s ARG 189 CO -0.12 0.42 -0.25 0.00 0.02 0.00 0.00 175.30 175.38 2gum s ALA 190 N -0.23 2.15 0.26 2.13 0.00 0.19 -4.53 121.76 121.72 2gum s ALA 190 Ca -0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2gum s ALA 190 Cb -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 2gum s ALA 190 CO 0.03 0.40 1.15 -1.25 0.00 0.00 0.00 175.76 176.09 2gum s PRO 191 N -0.10 4.57 -0.15 0.00 0.04 -1.25 -0.00 135.00 138.11 2gum s PRO 191 Ca -0.05 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 2gum s PRO 191 Cb -0.14 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2gum s PRO 191 CO 0.04 0.09 0.92 0.08 0.04 0.00 0.00 177.00 178.18 2gum s VAL 192 N -0.90 4.82 0.65 -0.36 1.01 -1.09 -4.87 120.40 119.66 2gum s VAL 192 Ca 0.47 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 2gum s VAL 192 Cb -0.33 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2gum s VAL 192 CO 0.42 -0.00 1.01 -2.65 0.00 0.00 0.00 175.10 173.87 2gum n PRO 193 N 5.25 0.79 -0.02 2.72 -0.02 -1.26 -4.67 135.00 137.79 2gum n PRO 193 Ca 0.07 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 2gum n PRO 193 Cb 0.48 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 2gum n PRO 193 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2gum h PHE 194 N 0.23 -1.00 -0.84 6.00 0.05 -1.99 -1.38 116.94 118.01 2gum h PHE 194 Ca -0.49 0.04 0.21 0.00 3.82 0.00 0.00 57.97 61.55 2gum h PHE 194 Cb 1.35 0.45 -0.16 0.00 2.00 0.00 0.00 35.95 39.59 2gum h PHE 194 CO 0.38 -0.33 -0.07 -0.85 -0.18 0.00 0.00 178.31 177.27 2gum n GLU 195 N -4.31 -0.07 0.12 1.51 -0.00 -1.26 0.77 120.64 117.39 2gum n GLU 195 Ca -0.03 1.28 -0.02 0.00 -0.00 0.00 0.00 57.16 58.38 2gum n GLU 195 Cb 0.23 -1.98 0.17 0.00 -0.00 0.00 0.00 31.44 29.85 2gum n GLU 195 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2gum h GLU 196 N 0.00 0.11 -0.30 3.44 4.81 -1.69 0.15 114.58 121.10 2gum h GLU 196 Ca 0.47 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.48 2gum h GLU 196 Cb 0.89 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2gum h GLU 196 CO -0.82 0.65 -0.37 0.28 -0.73 0.00 0.00 179.01 178.02 2gum h VAL 197 N 0.09 1.29 0.06 0.32 2.07 0.14 -1.26 116.25 118.96 2gum h VAL 197 Ca -0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2gum h VAL 197 Cb 1.04 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2gum h VAL 197 CO 0.08 0.50 -0.03 0.40 0.02 0.00 0.00 177.57 178.54 2gum h ILE 198 N 0.55 1.25 0.00 4.57 1.08 -0.94 0.22 117.51 124.24 2gum h ILE 198 Ca 0.04 -1.32 -0.07 0.00 -0.39 0.00 0.00 64.86 63.11 2gum h ILE 198 Cb 0.96 2.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2gum h ILE 198 CO 0.09 0.32 -1.33 0.47 -0.69 0.00 0.00 178.15 177.00 2gum n ASP 199 N -4.85 0.71 -0.04 1.72 8.00 0.03 -2.04 116.55 120.08 2gum n ASP 199 Ca -0.08 0.29 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 2gum n ASP 199 Cb 0.29 0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 2gum n ASP 199 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2gum n LYS 200 N -2.70 0.29 0.28 -1.24 4.76 -0.71 -3.96 118.16 114.88 2gum n LYS 200 Ca -0.05 0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 2gum n LYS 200 Cb 0.68 -0.97 -0.07 0.00 -1.84 0.00 0.00 35.03 32.83 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 -0.54 0.29 -0.13 -0.18 2.04 -0.01 0.26 117.51 119.24 2gum h ILE 201 Ca 0.00 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 2gum h ILE 201 Cb 0.54 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2gum h ILE 201 CO 0.00 0.04 -0.32 -1.13 0.00 0.00 0.00 178.15 176.74 2gum h ASN 202 N -1.04 0.50 -0.26 1.72 -1.24 -0.72 0.12 115.58 114.66 2gum h ASN 202 Ca -0.08 -0.58 -0.14 0.00 0.71 0.00 0.00 56.30 56.21 2gum h ASN 202 Cb 0.64 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 2gum h ASN 202 CO 0.13 0.99 -0.38 0.00 -1.29 0.00 0.00 177.43 176.87 2gum h ALA 203 N 0.52 0.40 0.00 1.57 0.00 -1.53 -3.39 119.26 116.83 2gum h ALA 203 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2gum h ALA 203 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2gum h ALA 203 CO 0.07 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.44 2gum n LYS 204 N -4.20 0.08 -1.89 0.00 5.02 -0.20 -5.00 118.16 111.98 2gum n LYS 204 Ca -0.05 -0.40 -0.14 0.00 -2.02 0.00 0.00 58.31 55.70 2gum n LYS 204 Cb 0.53 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 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 0.13 0.51 3.52 0.72 0.00 0.40 -4.95 105.19 105.52 2gum n GLY 205 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2gum n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gum s VAL 206 N -2.61 1.42 -0.12 1.61 -7.23 -0.51 -2.49 120.40 110.48 2gum s VAL 206 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 2gum s VAL 206 Cb 0.00 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 34.17 2gum s VAL 206 CO 0.00 0.00 0.37 0.00 -0.31 0.00 0.00 175.10 175.16 2gum s ARG 208 N -0.05 1.86 0.00 0.00 0.52 -1.26 -0.11 118.95 119.91 2gum s ARG 208 Ca -0.02 1.83 0.23 0.00 -0.52 0.00 0.00 55.73 57.25 2gum s ARG 208 Cb -0.03 -1.79 0.75 0.00 0.52 0.00 0.00 34.95 34.40 2gum s ARG 208 CO 0.01 -2.07 1.56 -1.13 0.02 0.00 0.00 175.30 173.70 2gum n SER 209 N -2.97 1.94 -4.69 0.23 3.41 -0.54 -4.78 113.62 106.22 2gum n SER 209 Ca 0.14 -1.71 -0.24 0.00 -0.26 0.00 0.00 58.87 56.80 2gum n SER 209 Cb 0.50 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.83 3.77 -0.17 6.66 -4.23 -1.26 -1.42 115.64 117.17 2gum s THR 210 Ca 0.34 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2gum s THR 210 Cb 0.19 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 71.11 2gum s THR 210 CO 0.29 -0.25 -0.00 0.00 -0.54 0.00 0.00 174.62 174.12 2gum s ALA 211 N -2.01 1.17 -0.18 3.99 0.00 -0.07 -4.96 121.76 119.70 2gum s ALA 211 Ca 0.30 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2gum s ALA 211 Cb -0.08 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.94 2gum s ALA 211 CO 0.20 -0.94 -0.17 0.21 0.00 0.00 0.00 175.76 175.07 2gum s LYS 212 N 1.77 3.11 0.25 0.00 2.20 -1.26 -0.75 119.74 125.06 2gum s LYS 212 Ca 0.00 -0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 54.62 2gum s LYS 212 Cb -0.16 -2.64 0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2gum s LYS 212 CO -0.07 -0.14 0.83 1.52 -0.36 0.00 0.00 175.35 177.13 2gum s TYR 213 N 1.16 -0.10 -0.19 4.03 -0.85 -0.58 -4.88 117.35 115.94 2gum s TYR 213 Ca 0.01 -0.34 -0.13 0.00 -0.52 0.00 0.00 57.07 56.10 2gum s TYR 213 Cb -0.14 0.71 -0.05 0.00 0.38 0.00 0.00 41.96 42.86 2gum s TYR 213 CO -0.07 -1.14 0.25 0.08 -1.52 0.00 0.00 175.55 173.15 2gum s VAL 214 N -3.35 5.32 -0.01 -3.49 1.01 -1.26 -0.60 120.40 118.02 2gum s VAL 214 Ca 0.13 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 2gum s VAL 214 Cb -0.04 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2gum s VAL 214 CO 0.06 0.37 0.01 -0.60 0.00 0.00 0.00 175.10 174.95 2gum s ARG 215 N 0.66 -0.00 -1.45 2.72 6.06 0.19 -4.89 118.95 122.24 2gum s ARG 215 Ca 0.14 0.05 -0.10 0.00 -2.50 0.00 0.00 55.73 53.32 2gum s ARG 215 Cb -0.13 -0.05 0.01 0.00 0.06 0.00 0.00 34.95 34.84 2gum s ARG 215 CO 0.03 -0.04 0.21 0.09 -2.50 0.00 0.00 175.30 173.09 2gum n ASN 216 N 3.33 -0.52 -3.18 -2.12 4.13 -1.26 -0.63 115.26 115.00 2gum n ASN 216 Ca -0.16 -1.28 -0.23 0.00 1.68 0.00 0.00 54.58 54.59 2gum n ASN 216 Cb 0.58 -1.64 0.03 0.00 -1.54 0.00 0.00 39.78 37.21 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 -2.68 -5.73 -3.71 6.41 5.03 -1.26 -4.98 115.26 108.34 2gum n ASN 217 Ca -0.27 -0.35 -0.13 0.00 0.87 0.00 0.00 54.58 54.70 2gum n ASN 217 Cb 0.66 -4.62 -0.09 0.00 -1.02 0.00 0.00 39.78 34.71 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 -6.76 0.23 -0.27 3.41 0.20 0.19 -5.12 118.68 110.57 2gum s LEU 218 Ca 0.37 0.89 -0.23 0.00 0.69 0.00 0.00 54.13 55.85 2gum s LEU 218 Cb -0.17 1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 47.19 2gum s LEU 218 CO 0.45 -0.18 0.78 -0.70 -0.29 0.00 0.00 176.35 176.41 2gum s GLU 219 N 0.14 4.08 0.05 1.98 2.12 -1.26 -0.63 118.70 125.17 2gum s GLU 219 Ca -0.01 0.72 0.07 0.00 0.36 0.00 0.00 54.97 56.12 2gum s GLU 219 Cb -0.03 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2gum s GLU 219 CO 0.01 -0.57 -0.19 -0.08 -0.54 0.00 0.00 175.26 173.89 2gum s THR 220 N 2.83 2.70 -0.02 -1.70 -1.32 0.23 -4.96 115.64 113.41 2gum s THR 220 Ca 0.32 -1.23 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 2gum s THR 220 Cb -0.15 -2.13 -0.01 0.00 -1.51 0.00 0.00 72.50 68.70 2gum s THR 220 CO 0.10 0.33 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.76 2gum s THR 221 N -0.92 1.50 -0.06 5.08 2.01 -1.26 -1.53 115.64 120.46 2gum s THR 221 Ca 0.14 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2gum s THR 221 Cb -0.10 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2gum s THR 221 CO 0.05 0.43 -0.06 0.00 -0.69 0.00 0.00 174.62 174.34 2gum s ALA 222 N -0.34 0.93 -0.19 7.40 0.00 0.07 -4.96 121.76 124.68 2gum s ALA 222 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 2gum s ALA 222 Cb -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2gum s ALA 222 CO -0.00 -0.10 0.04 -0.06 0.00 0.00 0.00 175.76 175.64 2gum s PHE 223 N 1.11 3.18 0.11 0.00 0.40 -1.26 -0.90 117.98 120.61 2gum s PHE 223 Ca -0.07 -0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 55.87 2gum s PHE 223 Cb -0.14 -2.08 -0.09 0.00 0.51 0.00 0.00 43.02 41.22 2gum s PHE 223 CO -0.01 0.04 1.58 -1.58 0.70 0.00 0.00 175.22 175.95 2gum s HIS 224 N 0.55 2.76 0.00 0.36 5.65 -0.51 -0.51 115.29 123.60 2gum s HIS 224 Ca 0.02 0.52 0.00 0.00 0.25 0.00 0.00 55.06 55.85 2gum s HIS 224 Cb -0.13 -3.91 0.00 0.00 -1.18 0.00 0.00 32.58 27.36 2gum s HIS 224 CO 0.01 -3.49 0.00 0.54 -0.65 0.00 0.00 174.74 171.15 2gum n ARG 225 N 4.81 -0.20 -1.38 2.88 5.12 0.17 -3.22 116.66 124.84 2gum n ARG 225 Ca 0.15 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.98 2gum n ARG 225 Cb 0.40 -3.41 -0.06 0.00 -1.16 0.00 0.00 32.46 28.24 2gum n ARG 225 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2gum n ASP 226 N -0.10 -4.94 -4.65 0.55 9.92 0.33 -4.88 116.55 112.78 2gum n ASP 226 Ca 0.00 0.33 -0.29 0.00 -0.53 0.00 0.00 54.79 54.30 2gum n ASP 226 Cb 0.05 -3.60 -0.10 0.00 -0.64 0.00 0.00 41.12 36.83 2gum n ASP 226 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2gum s ASP 227 N -2.70 3.90 0.12 -2.24 -4.77 -1.20 -4.97 116.67 104.81 2gum s ASP 227 Ca 0.00 -1.44 -0.17 0.00 -3.30 0.00 0.00 52.55 47.64 2gum s ASP 227 Cb 0.00 -0.15 -0.10 0.00 -1.09 0.00 0.00 42.92 41.57 2gum s ASP 227 CO 0.00 -0.56 0.31 1.41 0.70 0.00 0.00 175.17 177.03 2gum n HIS 228 N -1.04 -0.29 -1.93 2.11 8.25 -1.26 -4.58 115.22 116.48 2gum n HIS 228 Ca -0.09 0.58 -0.40 0.00 -0.26 0.00 0.00 57.72 57.56 2gum n HIS 228 Cb 0.67 -1.18 0.01 0.00 1.12 0.00 0.00 29.99 30.61 2gum n HIS 228 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2gum s GLU 229 N -0.60 3.79 -0.07 -0.41 2.12 -1.26 -4.97 118.70 117.31 2gum s GLU 229 Ca 0.38 2.27 -0.18 0.00 0.36 0.00 0.00 54.97 57.81 2gum s GLU 229 Cb -0.56 -2.68 0.04 0.00 0.26 0.00 0.00 34.13 31.19 2gum s GLU 229 CO 0.34 -0.68 0.42 0.95 -0.54 0.00 0.00 175.26 175.75 2gum s THR 230 N -1.24 0.03 0.33 -1.70 -4.23 -1.26 -4.97 115.64 102.60 2gum s THR 230 Ca 0.60 -0.24 -0.27 0.00 -1.18 0.00 0.00 61.69 60.59 2gum s THR 230 Cb -0.41 -0.68 -0.09 0.00 1.34 0.00 0.00 72.50 72.66 2gum s THR 230 CO 0.52 -0.13 1.05 -1.81 -0.54 0.00 0.00 174.62 173.71 2gum s ASP 231 N -0.83 7.09 0.02 3.99 -0.00 -1.26 -1.46 116.67 124.23 2gum s ASP 231 Ca -0.09 2.11 0.05 0.00 -0.00 0.00 0.00 52.55 54.62 2gum s ASP 231 Cb -0.04 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 2gum s ASP 231 CO 0.04 -0.25 -0.15 -0.04 -0.00 0.00 0.00 175.17 174.77 2gum s MET 232 N -1.91 1.06 0.19 8.23 -1.94 0.85 -4.90 119.30 120.88 2gum s MET 232 Ca 0.50 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.48 2gum s MET 232 Cb -0.26 -1.07 -0.08 0.00 2.01 0.00 0.00 34.83 35.43 2gum s MET 232 CO 0.33 0.27 1.12 -2.00 -0.01 0.00 0.00 175.02 174.74 2gum s GLU 233 N -0.90 4.57 -0.13 2.03 2.12 -1.26 -0.41 118.70 124.72 2gum s GLU 233 Ca 0.04 1.77 -0.22 0.00 0.36 0.00 0.00 54.97 56.91 2gum s GLU 233 Cb -0.07 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2gum s GLU 233 CO 0.01 0.05 0.66 -0.51 -0.54 0.00 0.00 175.26 174.93 2gum s LEU 234 N -0.48 4.24 0.14 2.70 1.43 -1.04 -4.43 118.68 121.25 2gum s LEU 234 Ca 0.50 1.02 0.11 0.00 -1.03 0.00 0.00 54.13 54.72 2gum s LEU 234 Cb -0.30 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2gum s LEU 234 CO 0.36 -0.18 -0.25 -1.59 0.23 0.00 0.00 176.35 174.93 2gum s LYS 235 N 1.26 1.49 0.22 1.70 -2.85 0.10 -4.87 119.74 116.79 2gum s LYS 235 Ca 0.33 -1.36 -0.32 0.00 -1.00 0.00 0.00 55.97 53.62 2gum s LYS 235 Cb -0.17 -1.92 -0.13 0.00 -2.06 0.00 0.00 37.83 33.55 2gum s LYS 235 CO 0.14 0.44 1.46 -2.30 0.10 0.00 0.00 175.35 175.19 2gum n PRO 236 N 0.74 2.09 -1.17 1.78 -0.02 -1.26 -1.23 135.00 135.94 2gum n PRO 236 Ca -0.16 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 2gum n PRO 236 Cb 0.54 -2.44 0.19 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.20 0.86 0.08 3.55 0.00 -0.46 -4.81 121.76 121.17 2gum s ALA 237 Ca 0.71 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2gum s ALA 237 Cb -0.65 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 2gum s ALA 237 CO 0.46 -3.05 1.18 -0.80 0.00 0.00 0.00 175.76 173.55 2gum s ASN 238 N -3.61 7.10 0.87 0.00 0.01 -1.26 -4.94 114.94 113.11 2gum s ASN 238 Ca 0.67 2.03 -0.16 0.00 -0.71 0.00 0.00 52.86 54.69 2gum s ASN 238 Cb -0.16 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.82 2gum s ASN 238 CO 0.57 -0.43 -0.24 0.00 -1.51 0.00 0.00 177.10 175.48 2gum n ALA 239 N 3.67 -3.90 -3.64 0.60 0.00 -1.26 -5.03 120.51 110.95 2gum n ALA 239 Ca 0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 2gum n ALA 239 Cb 0.46 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.07 -2.10 0.57 0.00 0.00 -1.26 -5.16 121.76 111.75 2gum s ALA 240 Ca 0.50 2.06 -0.21 0.00 0.00 0.00 0.00 51.96 54.31 2gum s ALA 240 Cb -0.26 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2gum s ALA 240 CO 0.73 -0.29 1.35 0.95 0.00 0.00 0.00 175.76 178.50 2gum s THR 241 N 0.82 2.03 -1.34 0.00 -4.23 -1.26 -3.55 115.64 108.12 2gum s THR 241 Ca -0.03 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2gum s THR 241 Cb -0.04 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.80 2gum s THR 241 CO -0.11 -0.00 0.46 0.54 -0.54 0.00 0.00 174.62 174.97 2gum n ARG 242 N -1.26 -1.35 -3.94 3.99 1.74 -1.26 -4.98 116.66 109.61 2gum n ARG 242 Ca 0.12 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.33 2gum n ARG 242 Cb 0.46 -3.58 -0.10 0.00 -1.02 0.00 0.00 32.46 28.22 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 -3.85 0.12 0.90 0.55 -4.23 -1.23 -5.16 115.64 102.73 2gum s THR 243 Ca 0.24 -1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.59 2gum s THR 243 Cb -0.12 -0.68 0.22 0.00 1.34 0.00 0.00 72.50 73.26 2gum s THR 243 CO 0.94 -0.56 0.93 -1.54 -0.54 0.00 0.00 174.62 173.85 2gum n SER 244 N 1.07 -1.17 -4.81 3.99 3.41 -1.26 -4.98 113.62 109.87 2gum n SER 244 Ca -0.21 -1.15 -0.38 0.00 -0.26 0.00 0.00 58.87 56.87 2gum n SER 244 Cb 0.57 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 2gum n SER 244 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gum s ARG 245 N -5.08 4.23 0.07 4.33 0.52 -1.26 -4.97 118.95 116.79 2gum s ARG 245 Ca 0.57 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 2gum s ARG 245 Cb -0.04 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 2gum s ARG 245 CO 0.42 0.57 -0.05 0.20 0.02 0.00 0.00 175.30 176.46 2gum s GLY 246 N -1.30 0.61 -0.05 -3.53 0.00 -1.26 -1.96 107.32 99.83 2gum s GLY 246 Ca 0.34 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 2gum s GLY 246 CO 0.20 -1.36 0.28 -0.98 0.00 0.00 0.00 173.10 171.25 2gum s TRP 247 N -3.64 -0.21 0.28 1.90 0.51 -0.00 -1.36 118.94 116.43 2gum s TRP 247 Ca 0.08 0.42 -0.03 0.00 -2.12 0.00 0.00 56.10 54.46 2gum s TRP 247 Cb 0.06 0.08 -0.02 0.00 -0.81 0.00 0.00 33.47 32.78 2gum s TRP 247 CO -0.07 -0.28 0.35 -3.38 -0.51 0.00 0.00 176.95 173.07 2gum s HIS 248 N -0.73 1.05 -0.24 -1.98 -3.43 -0.36 -0.73 115.29 108.88 2gum s HIS 248 Ca -0.08 -1.25 -0.10 0.00 -0.80 0.00 0.00 55.06 52.83 2gum s HIS 248 Cb -0.04 -0.25 -0.11 0.00 -1.43 0.00 0.00 32.58 30.75 2gum s HIS 248 CO 0.02 -0.93 -0.29 0.25 -2.00 0.00 0.00 174.74 171.79 2gum n THR 249 N -0.46 1.30 -3.68 -5.38 -2.24 -0.98 0.03 114.28 102.88 2gum n THR 249 Ca 0.02 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 2gum n THR 249 Cb 0.63 -1.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.44 2.42 0.00 4.28 2.01 -1.26 -4.83 115.64 115.82 2gum s THR 250 Ca -0.33 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.27 2gum s THR 250 Cb 0.12 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2gum s THR 250 CO 0.44 0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.47 2gum n ASP 251 N -1.57 0.00 -4.24 3.53 5.75 -1.26 -4.95 116.55 113.82 2gum n ASP 251 Ca 0.02 -0.77 -0.26 0.00 -0.01 0.00 0.00 54.79 53.77 2gum n ASP 251 Cb 0.63 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.57 2gum n ASP 251 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gum s LEU 252 N 0.00 2.11 0.54 -2.12 1.02 -1.26 -5.13 118.68 113.83 2gum s LEU 252 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 54.13 53.52 2gum s LEU 252 Cb 0.00 -1.02 -0.06 0.00 0.02 0.00 0.00 46.19 45.13 2gum s LEU 252 CO 0.00 0.21 1.04 -0.54 0.02 0.00 0.00 176.35 177.08 2gum s LYS 253 N -0.84 3.59 -0.30 1.70 -0.14 -1.26 -4.97 119.74 117.52 2gum s LYS 253 Ca 0.08 1.26 -0.04 0.00 -1.36 0.00 0.00 55.97 55.91 2gum s LYS 253 Cb -0.08 -2.07 0.04 0.00 -1.68 0.00 0.00 37.83 34.03 2gum s LYS 253 CO 0.01 -0.60 0.03 -0.47 -0.76 0.00 0.00 175.35 173.56 2gum s TYR 254 N -2.24 3.20 0.15 3.18 5.04 -1.26 -5.07 117.35 120.35 2gum s TYR 254 Ca 0.65 -1.55 0.05 0.00 -2.44 0.00 0.00 57.07 53.79 2gum s TYR 254 Cb -0.16 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 2gum s TYR 254 CO 0.28 -0.73 0.08 -0.80 -1.34 0.00 0.00 175.55 173.05 2gum s ASN 255 N 1.35 5.30 0.50 4.32 0.01 -1.26 -3.86 114.94 121.29 2gum s ASN 255 Ca -0.02 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 51.73 2gum s ASN 255 Cb -0.19 -1.32 -0.06 0.00 0.41 0.00 0.00 41.25 40.09 2gum s ASN 255 CO -0.00 0.10 1.22 -2.16 -1.51 0.00 0.00 177.10 174.74 2gum s PRO 256 N -2.90 3.51 0.49 -0.60 0.04 -1.26 -4.91 135.00 129.37 2gum s PRO 256 Ca 0.29 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 2gum s PRO 256 Cb -0.10 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 2gum s PRO 256 CO 0.22 -0.79 1.39 0.45 0.04 0.00 0.00 177.00 178.30 2gum s SER 257 N -1.30 5.60 0.33 6.66 0.15 -1.26 -4.93 113.70 118.95 2gum s SER 257 Ca 0.67 2.83 -0.29 0.00 0.70 0.00 0.00 55.95 59.86 2gum s SER 257 Cb -0.31 -2.64 -0.10 0.00 -1.71 0.00 0.00 66.02 61.25 2gum s SER 257 CO 0.37 -1.35 1.34 -0.60 1.20 0.00 0.00 173.24 174.21 2gum s ARG 258 N -2.67 4.31 -0.35 5.44 3.52 -1.26 -5.00 118.95 122.95 2gum s ARG 258 Ca 0.66 2.27 0.05 0.00 -0.13 0.00 0.00 55.73 58.58 2gum s ARG 258 Cb -0.42 -3.06 0.17 0.00 -1.56 0.00 0.00 34.95 30.08 2gum s ARG 258 CO 0.52 -0.26 0.50 0.08 -0.81 0.00 0.00 175.30 175.33 2gum s VAL 259 N -1.01 -0.73 0.54 7.11 1.01 -1.26 -5.16 120.40 120.90 2gum s VAL 259 Ca 0.51 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2gum s VAL 259 Cb -0.41 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 2gum s VAL 259 CO 0.53 -0.22 0.87 1.21 0.00 0.00 0.00 175.10 177.49 2gum n GLU 260 N 4.82 0.93 -1.85 2.72 2.13 -1.26 -2.81 120.64 125.32 2gum n GLU 260 Ca 0.07 0.35 -0.15 0.00 0.66 0.00 0.00 57.16 58.09 2gum n GLU 260 Cb 0.51 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 30.17 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 -1.36 -0.33 -2.63 4.31 0.00 0.09 -4.99 120.51 115.60 2gum n ALA 261 Ca 0.12 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 2gum n ALA 261 Cb 0.45 -1.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.64 0.47 -0.20 0.00 0.40 -1.12 -5.03 117.98 109.86 2gum s PHE 262 Ca 0.00 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 55.52 2gum s PHE 262 Cb 0.00 -0.32 -0.05 0.00 0.51 0.00 0.00 43.02 43.16 2gum s PHE 262 CO 0.00 -0.22 0.14 -1.01 0.70 0.00 0.00 175.22 174.84 2gum s HIS 263 N -2.33 3.41 0.07 0.36 3.76 -1.26 -2.62 115.29 116.68 2gum s HIS 263 Ca -0.06 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 2gum s HIS 263 Cb -0.04 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2gum s HIS 263 CO -0.04 0.28 -0.09 1.03 -0.85 0.00 0.00 174.74 175.08 2gum s ARG 264 N 0.38 0.72 0.03 1.40 0.52 -0.94 -4.99 118.95 116.07 2gum s ARG 264 Ca 0.09 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.35 2gum s ARG 264 Cb -0.11 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 2gum s ARG 264 CO -0.01 0.06 -0.19 0.71 0.02 0.00 0.00 175.30 175.88 2gum s TYR 265 N -2.15 2.53 -0.05 -0.53 1.51 -1.26 -1.67 117.35 115.73 2gum s TYR 265 Ca -0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2gum s TYR 265 Cb -0.05 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2gum s TYR 265 CO -0.01 0.22 -0.06 0.20 -1.11 0.00 0.00 175.55 174.79 2gum s GLY 266 N -1.31 0.52 -0.18 0.71 0.00 -0.56 -4.47 107.32 102.02 2gum s GLY 266 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2gum s GLY 266 CO 0.04 0.34 0.08 -1.59 0.00 0.00 0.00 173.10 171.96 2gum s THR 267 N 0.81 4.91 -0.02 0.90 2.01 -1.25 -1.63 115.64 121.38 2gum s THR 267 Ca -0.12 0.01 0.06 0.00 0.31 0.00 0.00 61.69 61.95 2gum s THR 267 Cb -0.14 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 2gum s THR 267 CO 0.01 0.46 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.30 2gum s THR 268 N 0.35 2.52 -0.25 -0.82 2.01 0.82 -0.66 115.64 119.61 2gum s THR 268 Ca 0.04 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 2gum s THR 268 Cb -0.12 -1.95 0.09 0.00 0.01 0.00 0.00 72.50 70.53 2gum s THR 268 CO -0.00 0.54 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 2gum s VAL 269 N -0.71 -0.11 -0.36 3.82 1.01 -1.26 -1.77 120.40 121.03 2gum s VAL 269 Ca 0.11 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2gum s VAL 269 Cb -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2gum s VAL 269 CO 0.00 -0.55 0.15 0.21 0.00 0.00 0.00 175.10 174.92 2gum s ASN 270 N 2.14 5.48 -0.10 3.32 2.47 -0.64 -4.69 114.94 122.92 2gum s ASN 270 Ca 0.07 -1.14 -0.30 0.00 0.42 0.00 0.00 52.86 51.91 2gum s ASN 270 Cb -0.16 -1.93 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 2gum s ASN 270 CO -0.27 -0.37 1.30 0.00 -3.72 0.00 0.00 177.10 174.05 2gum s ILE 272 N 2.99 1.92 -0.12 0.00 1.01 0.10 -2.31 121.20 124.80 2gum s ILE 272 Ca 0.58 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2gum s ILE 272 Cb -0.25 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.60 2gum s ILE 272 CO 0.20 0.53 -0.16 -0.69 0.00 0.00 0.00 174.94 174.82 2gum s VAL 273 N 0.03 1.60 -0.03 2.92 1.01 0.10 -1.78 120.40 124.25 2gum s VAL 273 Ca -0.08 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2gum s VAL 273 Cb -0.15 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2gum s VAL 273 CO 0.05 0.46 -0.04 -1.61 0.00 0.00 0.00 175.10 173.96 2gum s GLU 274 N 0.97 0.60 -0.08 2.72 2.02 -0.45 -0.82 118.70 123.65 2gum s GLU 274 Ca -0.06 -0.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.60 2gum s GLU 274 Cb -0.15 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 2gum s GLU 274 CO -0.02 -0.02 0.63 -1.21 0.02 0.00 0.00 175.26 174.67 2gum s GLU 275 N 0.55 4.41 0.04 1.61 2.02 -0.83 0.17 118.70 126.67 2gum s GLU 275 Ca -0.07 0.75 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 2gum s GLU 275 Cb -0.10 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 2gum s GLU 275 CO -0.00 0.09 0.05 0.14 0.02 0.00 0.00 175.26 175.56 2gum s VAL 276 N 0.75 0.14 0.29 2.63 -7.23 -0.14 -4.31 120.40 112.53 2gum s VAL 276 Ca 0.34 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2gum s VAL 276 Cb -0.17 -0.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 2gum s VAL 276 CO 0.16 -0.66 1.06 -1.81 -0.31 0.00 0.00 175.10 173.54 2gum s ASP 277 N -2.14 7.27 0.10 4.85 1.01 -1.26 -1.74 116.67 124.76 2gum s ASP 277 Ca -0.05 2.17 0.09 0.00 0.71 0.00 0.00 52.55 55.48 2gum s ASP 277 Cb -0.01 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2gum s ASP 277 CO -0.05 -0.13 -0.24 0.00 0.21 0.00 0.00 175.17 174.96 2gum s ALA 278 N -1.24 2.09 0.03 5.23 0.00 0.73 -1.54 121.76 127.06 2gum s ALA 278 Ca 0.46 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2gum s ALA 278 Cb -0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2gum s ALA 278 CO 0.37 0.46 -0.05 1.03 0.00 0.00 0.00 175.76 177.57 2gum s ARG 279 N -1.84 0.41 -0.14 0.00 0.52 -0.25 -1.48 118.95 116.17 2gum s ARG 279 Ca 0.10 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2gum s ARG 279 Cb -0.10 -0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.25 2gum s ARG 279 CO 0.05 0.02 0.36 0.45 0.02 0.00 0.00 175.30 176.20 2gum s SER 280 N -1.25 -0.39 0.16 0.23 0.15 -0.22 -0.46 113.70 111.92 2gum s SER 280 Ca -0.10 0.74 0.08 0.00 0.70 0.00 0.00 55.95 57.37 2gum s SER 280 Cb -0.08 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2gum s SER 280 CO -0.00 -0.14 -0.04 0.68 1.20 0.00 0.00 173.24 174.94 2gum s VAL 281 N 0.49 3.54 0.32 4.45 -7.23 -1.26 0.38 120.40 121.10 2gum s VAL 281 Ca -0.02 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 2gum s VAL 281 Cb -0.04 -2.75 -0.13 0.00 0.56 0.00 0.00 36.38 34.01 2gum s VAL 281 CO -0.03 -0.07 0.88 0.00 -0.31 0.00 0.00 175.10 175.57 2gum n TYR 282 N 0.07 0.76 0.80 2.82 9.36 -1.26 -0.69 117.16 129.01 2gum n TYR 282 Ca -0.11 0.69 0.02 0.00 3.32 0.00 0.00 57.90 61.82 2gum n TYR 282 Cb 0.55 -2.17 0.08 0.00 -0.63 0.00 0.00 39.34 37.17 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 0.63 1.71 -3.34 2.98 -0.04 -1.26 -4.94 135.00 130.74 2gum n PRO 283 Ca 0.11 -0.63 -0.24 0.00 -0.04 0.00 0.00 63.50 62.70 2gum n PRO 283 Cb 0.34 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.09 -2.41 1.01 0.54 4.02 0.13 -4.89 117.16 115.66 2gum n TYR 284 Ca 0.06 0.77 0.09 0.00 -0.01 0.00 0.00 57.90 58.81 2gum n TYR 284 Cb 0.38 -4.69 0.29 0.00 -0.02 0.00 0.00 39.34 35.30 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 -2.76 1.91 -3.67 7.72 3.85 -1.26 -4.00 116.55 118.34 2gum n ASP 285 Ca -0.05 -1.83 -0.04 0.00 -0.71 0.00 0.00 54.79 52.16 2gum n ASP 285 Cb 0.59 -0.17 -0.01 0.00 -1.35 0.00 0.00 41.12 40.18 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 -1.67 0.98 0.23 0.11 -1.05 -1.25 -3.35 118.70 112.71 2gum s GLU 286 Ca 0.30 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.49 2gum s GLU 286 Cb 0.16 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2gum s GLU 286 CO 0.24 -0.45 0.47 -0.59 0.95 0.00 0.00 175.26 175.88 2gum s PHE 287 N -3.13 0.26 0.15 4.83 -0.12 -0.66 -4.48 117.98 114.83 2gum s PHE 287 Ca 0.10 -0.62 0.09 0.00 -0.05 0.00 0.00 56.93 56.45 2gum s PHE 287 Cb -0.01 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2gum s PHE 287 CO -0.02 -0.96 -0.20 0.14 -0.05 0.00 0.00 175.22 174.14 2gum s VAL 288 N -3.98 1.85 0.24 -2.49 -7.23 0.39 -0.61 120.40 108.56 2gum s VAL 288 Ca 0.19 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2gum s VAL 288 Cb -0.00 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2gum s VAL 288 CO 0.06 -0.23 0.30 -0.76 -0.31 0.00 0.00 175.10 174.16 2gum s LEU 289 N -2.48 4.16 0.05 1.32 1.43 -0.51 -1.09 118.68 121.55 2gum s LEU 289 Ca 0.14 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2gum s LEU 289 Cb -0.07 -2.70 0.30 0.00 0.03 0.00 0.00 46.19 43.75 2gum s LEU 289 CO 0.06 -0.05 1.20 0.00 0.23 0.00 0.00 176.35 177.79 2gum n ALA 290 N -1.27 1.17 1.30 4.21 0.00 -0.59 -1.37 120.51 123.96 2gum n ALA 290 Ca -0.09 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.50 2gum n ALA 290 Cb 0.57 -1.10 0.51 0.00 0.00 0.00 0.00 19.45 19.43 2gum n ALA 290 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gum n THR 291 N -1.61 0.00 -0.05 0.00 -2.24 -1.26 -4.91 114.28 104.20 2gum n THR 291 Ca 0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2gum n THR 291 Cb 0.05 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.33 0.46 3.73 3.38 0.00 -0.47 -5.06 105.19 108.56 2gum n GLY 292 Ca 0.13 0.00 -0.41 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 -2.56 7.45 0.17 1.61 1.11 -1.25 -4.86 116.67 118.34 2gum s ASP 293 Ca 0.00 1.89 -0.11 0.00 0.18 0.00 0.00 52.55 54.51 2gum s ASP 293 Cb 0.00 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.33 2gum s ASP 293 CO 0.00 -0.09 0.51 -0.36 1.18 0.00 0.00 175.17 176.41 2gum s PHE 294 N -0.16 3.50 -0.20 4.23 0.40 -1.26 -1.43 117.98 123.06 2gum s PHE 294 Ca 0.47 0.88 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 2gum s PHE 294 Cb -0.25 -2.25 0.04 0.00 0.51 0.00 0.00 43.02 41.07 2gum s PHE 294 CO 0.31 0.37 -0.09 0.08 0.70 0.00 0.00 175.22 176.59 2gum s VAL 295 N -1.64 1.57 -1.12 -0.44 1.01 0.22 -4.98 120.40 115.03 2gum s VAL 295 Ca 0.42 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2gum s VAL 295 Cb -0.13 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.66 2gum s VAL 295 CO 0.20 0.13 2.53 -1.22 0.00 0.00 0.00 175.10 176.75 2gum n TYR 296 N 4.70 2.31 -3.84 5.22 4.02 -1.26 -1.65 117.16 126.66 2gum n TYR 296 Ca -0.14 -2.61 -0.12 0.00 -0.01 0.00 0.00 57.90 55.02 2gum n TYR 296 Cb 0.46 -1.76 -0.10 0.00 -0.02 0.00 0.00 39.34 37.92 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 -1.07 0.42 0.40 -0.72 1.75 -1.24 -1.32 119.30 117.53 2gum s MET 297 Ca 0.56 -0.16 -0.26 0.00 -1.25 0.00 0.00 55.69 54.59 2gum s MET 297 Cb 0.23 0.18 -0.09 0.00 2.84 0.00 0.00 34.83 38.00 2gum s MET 297 CO -0.12 -0.09 1.27 0.45 -0.65 0.00 0.00 175.02 175.88 2gum s SER 298 N -0.89 6.36 0.29 1.11 0.15 0.13 -3.75 113.70 117.10 2gum s SER 298 Ca -0.10 2.58 0.23 0.00 0.70 0.00 0.00 55.95 59.36 2gum s SER 298 Cb -0.05 -2.63 1.06 0.00 -1.71 0.00 0.00 66.02 62.68 2gum s SER 298 CO 0.01 -0.81 1.70 -2.65 1.20 0.00 0.00 173.24 172.69 2gum n PRO 299 N 0.12 0.18 -0.36 5.44 -0.02 -1.26 -1.97 135.00 137.13 2gum n PRO 299 Ca 0.04 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2gum n PRO 299 Cb 0.44 -1.91 0.28 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.26 0.92 -2.26 6.00 3.01 -1.26 -4.73 117.46 116.89 2gum n PHE 300 Ca 0.01 -0.53 -0.37 0.00 1.01 0.00 0.00 57.45 57.57 2gum n PHE 300 Cb 0.16 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.17 2.86 0.00 1.38 5.04 -0.83 -4.80 117.35 119.82 2gum s TYR 301 Ca 0.43 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2gum s TYR 301 Cb 0.23 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 39.17 2gum s TYR 301 CO 0.27 -1.51 0.00 0.41 -1.34 0.00 0.00 175.55 173.38 2gum n GLY 302 N 0.42 0.59 0.07 8.97 0.00 -1.24 -4.96 105.19 109.04 2gum n GLY 302 Ca 0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.00 -1.68 1.61 0.53 -1.26 -0.65 117.16 115.71 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 -0.56 -0.04 0.00 -1.03 0.00 0.00 39.34 37.71 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 -2.91 2.33 -0.89 -0.72 1.74 -1.26 -4.42 116.66 110.53 2gum n ARG 304 Ca -0.25 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2gum n ARG 304 Cb 0.78 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 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 5.06 -0.23 0.00 5.56 4.71 -1.26 -2.19 120.64 132.30 2gum n GLU 305 Ca 0.19 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 2gum n GLU 305 Cb 0.31 -0.21 0.00 0.00 -1.01 0.00 0.00 31.44 30.53 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 1.13 1.47 0.30 0.62 0.00 -1.26 -4.82 105.19 102.63 2gum n GLY 306 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.12 0.00 1.61 0.02 -1.66 0.40 113.55 114.04 2gum h SER 307 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2gum h SER 307 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2gum h SER 307 CO 0.00 -0.07 0.11 0.00 -1.14 0.00 0.00 176.83 175.72 2gum n HIS 308 N -5.14 0.00 0.15 3.45 1.44 0.17 0.10 115.22 115.38 2gum n HIS 308 Ca 0.20 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.94 2gum n HIS 308 Cb 0.62 -0.34 0.06 0.00 0.12 0.00 0.00 29.99 30.46 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 0.86 -3.49 0.61 2.02 -0.48 -3.46 112.91 108.96 2gum h THR 309 Ca 0.00 -2.13 -0.46 0.00 0.77 0.00 0.00 66.41 64.59 2gum h THR 309 Cb 0.21 2.37 0.21 0.00 -1.74 0.00 0.00 68.15 69.20 2gum h THR 309 CO 0.00 0.47 0.06 -1.61 0.37 0.00 0.00 175.52 174.81 2gum s GLU 310 N -3.03 -0.53 0.33 6.66 0.41 0.11 -4.97 118.70 117.69 2gum s GLU 310 Ca 0.04 1.02 -0.26 0.00 -0.41 0.00 0.00 54.97 55.36 2gum s GLU 310 Cb 0.08 -1.59 -0.10 0.00 -1.78 0.00 0.00 34.13 30.75 2gum s GLU 310 CO 0.74 -3.52 0.97 -1.58 -0.49 0.00 0.00 175.26 171.38 2gum s HIS 311 N -2.49 3.62 -0.20 1.61 5.65 -1.26 -4.94 115.29 117.29 2gum s HIS 311 Ca 0.68 1.76 -0.17 0.00 0.25 0.00 0.00 55.06 57.59 2gum s HIS 311 Cb -0.25 -2.98 0.05 0.00 -1.18 0.00 0.00 32.58 28.23 2gum s HIS 311 CO 0.63 0.04 0.52 -0.08 -0.65 0.00 0.00 174.74 175.20 2gum s THR 312 N -1.59 -0.00 -1.41 0.89 -1.32 -1.26 -0.69 115.64 110.26 2gum s THR 312 Ca 0.51 0.01 0.14 0.00 -1.21 0.00 0.00 61.69 61.15 2gum s THR 312 Cb -0.20 -0.73 0.33 0.00 -1.51 0.00 0.00 72.50 70.39 2gum s THR 312 CO 0.25 0.01 1.24 0.41 -2.21 0.00 0.00 174.62 174.32 2gum n THR 313 N 3.15 0.73 -4.17 5.08 -1.04 -0.44 -4.99 114.28 112.60 2gum n THR 313 Ca -0.16 -0.86 -0.28 0.00 -2.04 0.00 0.00 64.05 60.71 2gum n THR 313 Cb 0.56 0.72 -0.08 0.00 -1.82 0.00 0.00 70.33 69.72 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 -1.06 2.91 0.71 -1.42 1.51 -1.26 -5.10 117.35 113.63 2gum s TYR 314 Ca 0.27 -0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 56.08 2gum s TYR 314 Cb 0.15 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2gum s TYR 314 CO 0.20 0.50 1.24 0.00 -1.11 0.00 0.00 175.55 176.38 2gum s ALA 315 N -1.55 2.16 0.25 3.71 0.00 -1.26 -4.91 121.76 120.16 2gum s ALA 315 Ca 0.27 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 2gum s ALA 315 Cb -0.10 -3.50 0.44 0.00 0.00 0.00 0.00 23.12 19.96 2gum s ALA 315 CO 0.19 -1.84 1.78 0.00 0.00 0.00 0.00 175.76 175.88 2gum h ALA 316 N -0.09 1.16 0.00 0.00 0.00 -1.99 -2.05 119.26 116.29 2gum h ALA 316 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2gum h ALA 316 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2gum h ALA 316 CO 0.50 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 2gum n ASP 317 N -4.84 0.00 0.15 0.00 5.75 -1.26 -1.98 116.55 114.36 2gum n ASP 317 Ca 0.14 0.49 0.12 0.00 -0.01 0.00 0.00 54.79 55.54 2gum n ASP 317 Cb 0.35 -0.50 0.13 0.00 -1.03 0.00 0.00 41.12 40.07 2gum n ASP 317 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2gum h ARG 318 N 0.00 0.00 -6.16 0.11 3.08 -1.69 -3.46 114.38 106.26 2gum h ARG 318 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2gum h ARG 318 Cb 0.18 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.13 2gum h ARG 318 CO 0.00 0.00 -0.61 0.12 -1.07 0.00 0.00 179.97 178.41 2gum s PHE 319 N -3.25 3.15 -0.07 3.04 5.36 -0.84 -1.17 117.98 124.21 2gum s PHE 319 Ca 0.04 0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 56.01 2gum s PHE 319 Cb 0.08 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 41.14 2gum s PHE 319 CO 0.71 0.51 0.24 0.21 -1.46 0.00 0.00 175.22 175.43 2gum s LYS 320 N -2.04 0.37 -0.07 10.12 2.47 0.74 -5.00 119.74 126.33 2gum s LYS 320 Ca 0.25 0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.81 2gum s LYS 320 Cb -0.12 0.17 0.02 0.00 -1.46 0.00 0.00 37.83 36.44 2gum s LYS 320 CO 0.17 -0.07 -0.08 -1.14 0.16 0.00 0.00 175.35 174.39 2gum s GLN 321 N -0.33 1.33 -0.22 4.03 0.74 -1.26 0.52 119.66 124.46 2gum s GLN 321 Ca -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 2gum s GLN 321 Cb -0.03 -1.27 0.02 0.00 1.10 0.00 0.00 33.01 32.82 2gum s GLN 321 CO 0.01 -0.12 -0.09 0.08 -0.55 0.00 0.00 175.29 174.62 2gum s VAL 322 N 1.15 2.75 0.64 1.34 1.01 0.61 -4.95 120.40 122.95 2gum s VAL 322 Ca -0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2gum s VAL 322 Cb -0.14 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2gum s VAL 322 CO -0.01 0.33 1.04 -1.81 0.00 0.00 0.00 175.10 174.65 2gum s ASP 323 N 1.34 6.03 -1.56 3.32 -0.00 -1.26 -0.30 116.67 124.25 2gum s ASP 323 Ca 0.02 1.34 -0.06 0.00 -0.00 0.00 0.00 52.55 53.86 2gum s ASP 323 Cb -0.15 -2.33 0.05 0.00 -0.00 0.00 0.00 42.92 40.49 2gum s ASP 323 CO -0.06 -0.99 0.34 0.61 -0.00 0.00 0.00 175.17 175.07 2gum n GLY 324 N -2.81 -0.24 3.82 0.21 0.00 -1.24 -4.90 105.19 100.04 2gum n GLY 324 Ca 0.06 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.94 3.72 -0.10 1.61 5.36 0.06 -4.75 117.98 119.93 2gum s PHE 325 Ca 0.21 1.26 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2gum s PHE 325 Cb -0.12 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.06 2gum s PHE 325 CO 0.95 0.48 -0.21 0.71 -1.46 0.00 0.00 175.22 175.69 2gum s TYR 326 N -1.31 2.33 0.07 10.12 1.51 -1.26 -1.18 117.35 127.64 2gum s TYR 326 Ca 0.35 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2gum s TYR 326 Cb -0.18 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2gum s TYR 326 CO 0.20 -0.43 0.18 0.00 -1.11 0.00 0.00 175.55 174.40 2gum s ALA 327 N 0.52 3.90 -0.19 3.71 0.00 -1.26 -5.01 121.76 123.43 2gum s ALA 327 Ca -0.15 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 2gum s ALA 327 Cb -0.17 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2gum s ALA 327 CO 0.06 0.78 0.03 1.03 0.00 0.00 0.00 175.76 177.66 2gum s ARG 328 N -2.55 3.81 -0.49 0.00 1.81 -1.26 -5.07 118.95 115.20 2gum s ARG 328 Ca 0.34 -0.43 -0.20 0.00 -1.72 0.00 0.00 55.73 53.72 2gum s ARG 328 Cb -0.13 -3.13 0.05 0.00 -0.45 0.00 0.00 34.95 31.29 2gum s ARG 328 CO 0.27 0.18 0.63 0.34 -0.68 0.00 0.00 175.30 176.04 2gum s ASP 329 N 0.60 6.25 0.00 0.23 3.68 -1.26 -5.03 116.67 121.15 2gum s ASP 329 Ca 0.01 -0.73 0.00 0.00 2.13 0.00 0.00 52.55 53.97 2gum s ASP 329 Cb -0.13 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.03 2gum s ASP 329 CO 0.02 -0.86 0.58 0.18 0.13 0.00 0.00 175.17 175.21 2gum n LEU 330 N 6.23 1.60 -2.93 -1.34 4.77 -1.26 -5.22 117.00 118.85 2gum n LEU 330 Ca -0.05 -0.80 -0.13 0.00 -0.03 0.00 0.00 56.01 55.00 2gum n LEU 330 Cb 0.46 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2gum n LEU 330 CO 0.54 0.29 -0.06 1.07 -1.33 0.00 0.00 177.39 177.89 2gum n THR 337 N 0.47 0.23 -4.40 -5.08 5.66 -1.26 -4.93 114.28 104.96 2gum n THR 337 Ca 0.00 -3.47 -0.23 0.00 -3.05 0.00 0.00 64.05 57.30 2gum n THR 337 Cb 0.29 0.35 -0.13 0.00 -1.55 0.00 0.00 70.33 69.29 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 -2.09 1.54 1.02 1.79 0.00 -1.26 -5.14 121.76 117.62 2gum s ALA 338 Ca 0.32 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 2gum s ALA 338 Cb 0.38 -0.24 0.20 0.00 0.00 0.00 0.00 23.12 23.46 2gum s ALA 338 CO -0.04 0.31 1.09 -2.14 0.00 0.00 0.00 175.76 174.98 2gum s PRO 339 N -1.46 0.22 0.01 0.00 0.02 -1.26 -4.93 135.00 127.61 2gum s PRO 339 Ca 0.04 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.16 2gum s PRO 339 Cb -0.09 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 32.79 2gum s PRO 339 CO 0.02 -3.07 0.30 0.95 -0.33 0.00 0.00 177.00 174.87 2gum s THR 340 N -2.58 0.07 -0.42 0.99 -4.23 -0.32 -4.85 115.64 104.30 2gum s THR 340 Ca 0.67 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 60.32 2gum s THR 340 Cb -0.23 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2gum s THR 340 CO 0.61 -0.32 1.09 -0.89 -0.54 0.00 0.00 174.62 174.57 2gum s THR 341 N -1.92 4.34 -0.26 3.99 2.01 -1.26 -0.76 115.64 121.77 2gum s THR 341 Ca -0.09 1.36 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 2gum s THR 341 Cb -0.03 -4.52 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 2gum s THR 341 CO 0.01 -0.81 0.20 -0.60 -0.69 0.00 0.00 174.62 172.73 2gum s ARG 342 N 4.11 4.02 0.11 4.92 6.06 0.59 -0.59 118.95 138.17 2gum s ARG 342 Ca 0.46 -0.25 -0.17 0.00 -2.50 0.00 0.00 55.73 53.27 2gum s ARG 342 Cb -0.09 -3.60 -0.07 0.00 0.06 0.00 0.00 34.95 31.25 2gum s ARG 342 CO 0.26 -0.07 0.57 -0.80 -2.50 0.00 0.00 175.30 172.75 2gum s ASN 343 N 1.41 6.95 -0.17 -2.12 -0.87 0.00 -0.28 114.94 119.86 2gum s ASN 343 Ca 0.08 1.18 -0.04 0.00 -1.57 0.00 0.00 52.86 52.51 2gum s ASN 343 Cb -0.15 -2.33 0.07 0.00 -0.02 0.00 0.00 41.25 38.82 2gum s ASN 343 CO 0.08 0.18 0.14 -0.76 -2.57 0.00 0.00 177.10 174.17 2gum s LEU 344 N -1.55 0.13 -0.14 0.60 1.02 0.18 -2.32 118.68 116.60 2gum s LEU 344 Ca 0.34 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 2gum s LEU 344 Cb -0.17 0.03 -0.01 0.00 0.02 0.00 0.00 46.19 46.06 2gum s LEU 344 CO 0.19 -0.33 -0.13 -0.22 0.02 0.00 0.00 176.35 175.88 2gum s LEU 345 N 2.22 2.65 -0.31 1.79 2.96 -0.10 -0.19 118.68 127.71 2gum s LEU 345 Ca 0.04 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2gum s LEU 345 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2gum s LEU 345 CO -0.10 0.13 0.09 0.42 -1.32 0.00 0.00 176.35 175.58 2gum s THR 346 N 0.54 3.97 0.52 3.68 -4.23 -0.32 0.15 115.64 119.95 2gum s THR 346 Ca -0.09 -0.77 0.09 0.00 -1.18 0.00 0.00 61.69 59.74 2gum s THR 346 Cb -0.16 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.65 2gum s THR 346 CO 0.04 0.02 0.71 0.42 -0.54 0.00 0.00 174.62 175.27 2gum s THR 347 N 1.49 2.45 0.62 3.99 -4.23 0.29 -4.83 115.64 115.41 2gum s THR 347 Ca 0.02 -1.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.86 2gum s THR 347 Cb -0.18 -2.45 0.37 0.00 1.34 0.00 0.00 72.50 71.58 2gum s THR 347 CO 0.03 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.62 2gum h PRO 348 N 0.35 0.00 -0.00 3.99 0.11 -1.97 -3.00 132.00 131.47 2gum h PRO 348 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2gum h PRO 348 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2gum h PRO 348 CO 0.42 0.00 -0.21 1.63 -0.21 0.00 0.00 178.00 179.64 2gum n LYS 349 N -3.46 4.89 -3.69 1.05 5.02 -1.26 -4.45 118.16 116.26 2gum n LYS 349 Ca -0.01 -0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2gum n LYS 349 Cb 0.23 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.36 -0.06 -0.08 2.13 -0.12 -1.13 -3.71 117.98 113.64 2gum s PHE 350 Ca 0.02 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2gum s PHE 350 Cb 0.04 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2gum s PHE 350 CO 0.19 -0.48 -0.19 0.99 -0.05 0.00 0.00 175.22 175.67 2gum s THR 351 N -2.67 2.53 -0.03 -4.49 2.01 -0.58 0.10 115.64 112.52 2gum s THR 351 Ca 0.15 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2gum s THR 351 Cb 0.02 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2gum s THR 351 CO -0.01 0.56 -0.17 0.54 -0.69 0.00 0.00 174.62 174.85 2gum s VAL 352 N -0.03 1.37 0.09 3.82 0.11 0.12 -0.65 120.40 125.24 2gum s VAL 352 Ca -0.06 -0.71 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 2gum s VAL 352 Cb -0.15 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 2gum s VAL 352 CO 0.05 0.39 -0.18 0.00 -3.33 0.00 0.00 175.10 172.02 2gum s ALA 353 N -0.14 1.58 0.13 1.54 0.00 -0.01 -0.92 121.76 123.93 2gum s ALA 353 Ca 0.01 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.58 2gum s ALA 353 Cb -0.09 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.90 2gum s ALA 353 CO 0.01 0.29 0.56 1.67 0.00 0.00 0.00 175.76 178.29 2gum s TRP 354 N -1.24 -0.48 -0.32 0.00 -2.14 -0.98 -0.07 118.94 113.71 2gum s TRP 354 Ca 0.04 0.33 -0.27 0.00 2.66 0.00 0.00 56.10 58.86 2gum s TRP 354 Cb -0.10 0.47 0.01 0.00 -3.10 0.00 0.00 33.47 30.76 2gum s TRP 354 CO 0.04 -0.78 0.96 -0.51 -2.66 0.00 0.00 176.95 173.99 2gum s ASP 355 N -2.55 6.80 0.20 -2.66 1.01 -1.26 -0.82 116.67 117.39 2gum s ASP 355 Ca -0.00 0.84 -0.30 0.00 0.71 0.00 0.00 52.55 53.79 2gum s ASP 355 Cb -0.00 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 2gum s ASP 355 CO -0.10 -0.79 1.35 0.86 0.21 0.00 0.00 175.17 176.70 2gum s TRP 356 N 3.40 3.20 0.02 4.23 -0.00 0.24 -4.96 118.94 125.08 2gum s TRP 356 Ca 0.40 1.13 0.01 0.00 -0.00 0.00 0.00 56.10 57.64 2gum s TRP 356 Cb -0.13 -3.67 -0.02 0.00 -0.00 0.00 0.00 33.47 29.66 2gum s TRP 356 CO 0.15 -2.15 -0.04 0.14 -0.00 0.00 0.00 176.95 175.06 2gum s VAL 357 N 0.23 0.22 0.49 5.86 -7.23 -1.26 -4.64 120.40 114.08 2gum s VAL 357 Ca 0.58 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.64 2gum s VAL 357 Cb -0.38 -0.33 -0.06 0.00 0.56 0.00 0.00 36.38 36.17 2gum s VAL 357 CO 0.38 -0.43 1.31 -2.16 -0.31 0.00 0.00 175.10 173.89 2gum s PRO 358 N -1.37 3.48 0.10 4.82 0.04 -1.26 -4.77 135.00 136.04 2gum s PRO 358 Ca -0.13 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2gum s PRO 358 Cb -0.09 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.93 2gum s PRO 358 CO -0.01 -0.88 1.61 -0.22 0.04 0.00 0.00 177.00 177.54 2gum h LYS 359 N 1.88 -0.64 -0.56 4.56 3.64 -1.97 -3.28 116.57 120.21 2gum h LYS 359 Ca -0.50 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2gum h LYS 359 Cb 1.27 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 2gum h LYS 359 CO 0.59 -0.42 0.27 0.00 -2.27 0.00 0.00 179.45 177.62 2gum h ARG 360 N -0.66 0.81 -0.33 1.90 3.08 -1.93 -1.64 114.38 115.61 2gum h ARG 360 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2gum h ARG 360 Cb 0.64 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2gum h ARG 360 CO -0.14 0.65 0.00 -0.35 -1.07 0.00 0.00 179.97 179.07 2gum n PRO 361 N -4.56 1.55 -0.05 0.04 -0.04 -1.26 -4.24 135.00 126.44 2gum n PRO 361 Ca 0.03 -0.72 -0.11 0.00 -0.04 0.00 0.00 63.50 62.67 2gum n PRO 361 Cb 0.12 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 2gum n PRO 361 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gum n SER 362 N 0.08 0.75 -4.99 3.54 7.64 -0.93 -5.05 113.62 114.66 2gum n SER 362 Ca 0.07 0.12 -0.19 0.00 1.01 0.00 0.00 58.87 59.87 2gum n SER 362 Cb 0.23 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2gum n SER 362 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2gum s VAL 363 N -2.18 4.04 -0.22 0.44 -7.23 -0.66 -5.08 120.40 109.51 2gum s VAL 363 Ca -0.14 -0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 2gum s VAL 363 Cb 0.05 -3.41 0.06 0.00 0.56 0.00 0.00 36.38 33.65 2gum s VAL 363 CO 0.17 -0.17 0.58 0.00 -0.31 0.00 0.00 175.10 175.38 2gum n THR 365 N 3.24 0.36 -4.24 0.00 -2.24 -0.45 -4.80 114.28 106.16 2gum n THR 365 Ca -0.16 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2gum n THR 365 Cb 0.56 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 2gum n THR 365 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gum s MET 366 N -1.64 1.04 -0.02 -0.78 -1.94 -1.26 -1.42 119.30 113.28 2gum s MET 366 Ca 0.27 -1.45 0.01 0.00 -1.71 0.00 0.00 55.69 52.80 2gum s MET 366 Cb 0.14 -0.48 0.01 0.00 2.01 0.00 0.00 34.83 36.51 2gum s MET 366 CO 0.20 0.01 -0.04 0.99 -0.01 0.00 0.00 175.02 176.17 2gum s THR 367 N -3.44 0.37 0.25 2.05 2.01 0.71 -4.63 115.64 112.96 2gum s THR 367 Ca 0.17 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2gum s THR 367 Cb 0.04 -0.36 -0.11 0.00 0.01 0.00 0.00 72.50 72.08 2gum s THR 367 CO 0.00 0.14 1.52 -0.75 -0.69 0.00 0.00 174.62 174.84 2gum s LYS 368 N 0.35 4.21 0.03 4.92 2.20 -1.26 -1.49 119.74 128.69 2gum s LYS 368 Ca -0.04 2.41 -0.01 0.00 -0.36 0.00 0.00 55.97 57.98 2gum s LYS 368 Cb -0.07 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 2gum s LYS 368 CO -0.00 -0.52 -0.02 1.87 -0.36 0.00 0.00 175.35 176.31 2gum n TRP 369 N 2.50 0.00 -4.66 4.03 -0.00 0.15 -4.88 117.44 114.58 2gum n TRP 369 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.36 2gum n TRP 369 Cb 0.39 -0.05 -0.15 0.00 -0.00 0.00 0.00 31.31 31.50 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 -2.04 1.19 -0.25 5.87 -1.52 -0.94 -4.97 119.66 117.01 2gum s GLN 370 Ca -0.02 -0.56 -0.06 0.00 -1.95 0.00 0.00 55.36 52.76 2gum s GLN 370 Cb 0.01 -1.16 -0.02 0.00 -0.22 0.00 0.00 33.01 31.62 2gum s GLN 370 CO 0.03 0.32 0.04 -1.21 -0.25 0.00 0.00 175.29 174.21 2gum s GLU 371 N -0.44 3.53 -0.22 2.91 2.02 -1.26 0.09 118.70 125.33 2gum s GLU 371 Ca 0.05 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.51 2gum s GLU 371 Cb -0.06 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 30.96 2gum s GLU 371 CO -0.00 -0.21 -0.15 0.08 0.02 0.00 0.00 175.26 175.00 2gum s VAL 372 N 1.57 2.23 0.05 2.63 1.01 0.77 -5.01 120.40 123.66 2gum s VAL 372 Ca 0.06 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 2gum s VAL 372 Cb -0.15 -2.10 -0.18 0.00 0.00 0.00 0.00 36.38 33.95 2gum s VAL 372 CO 0.02 0.29 1.50 0.44 0.00 0.00 0.00 175.10 177.35 2gum h ASP 373 N 7.89 -0.68 -3.79 3.32 5.19 -1.88 -1.00 116.42 125.48 2gum h ASP 373 Ca -0.34 -0.01 -0.71 0.00 -0.62 0.00 0.00 57.03 55.35 2gum h ASP 373 Cb 1.10 0.17 -0.33 0.00 0.18 0.00 0.00 39.33 40.45 2gum h ASP 373 CO 0.57 -0.42 -0.38 -1.61 -3.12 0.00 0.00 179.24 174.28 2gum s GLU 374 N -5.66 2.48 -0.36 3.56 2.02 -1.26 -4.07 118.70 115.42 2gum s GLU 374 Ca -0.16 -2.20 -0.03 0.00 0.02 0.00 0.00 54.97 52.59 2gum s GLU 374 Cb 0.03 -3.78 0.08 0.00 0.10 0.00 0.00 34.13 30.55 2gum s GLU 374 CO 0.59 -1.16 0.11 1.41 0.02 0.00 0.00 175.26 176.23 2gum s MET 375 N 0.53 2.25 0.29 1.61 1.75 0.21 -4.30 119.30 121.64 2gum s MET 375 Ca 0.13 -1.52 -0.28 0.00 -1.25 0.00 0.00 55.69 52.77 2gum s MET 375 Cb -0.21 -3.42 -0.09 0.00 2.84 0.00 0.00 34.83 33.95 2gum s MET 375 CO -0.04 -0.84 0.95 -0.51 -0.65 0.00 0.00 175.02 173.93 2gum s LEU 376 N 1.22 4.47 0.00 4.11 1.43 -0.53 -2.36 118.68 127.02 2gum s LEU 376 Ca 0.02 1.90 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2gum s LEU 376 Cb -0.21 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 2gum s LEU 376 CO -0.02 0.01 -0.19 -0.60 0.23 0.00 0.00 176.35 175.79 2gum s ARG 377 N -1.68 1.43 -0.02 1.70 3.52 -0.53 -1.35 118.95 122.02 2gum s ARG 377 Ca 0.46 -0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 55.22 2gum s ARG 377 Cb -0.22 -1.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2gum s ARG 377 CO 0.28 0.38 0.28 -1.54 -0.81 0.00 0.00 175.30 173.89 2gum s SER 378 N -0.62 -0.17 -0.04 -2.12 1.04 -0.78 0.09 113.70 111.10 2gum s SER 378 Ca 0.07 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 2gum s SER 378 Cb -0.07 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 2gum s SER 378 CO -0.00 -0.40 0.30 -0.70 0.98 0.00 0.00 173.24 173.41 2gum s GLU 379 N -1.19 3.70 -0.30 4.02 2.12 -1.26 -0.38 118.70 125.41 2gum s GLU 379 Ca -0.12 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 2gum s GLU 379 Cb -0.05 -3.19 0.16 0.00 0.26 0.00 0.00 34.13 31.31 2gum s GLU 379 CO 0.03 0.72 0.63 -0.47 -0.54 0.00 0.00 175.26 175.63 2gum s TYR 380 N -1.09 -1.46 -1.51 5.30 5.04 0.41 -4.95 117.35 119.08 2gum s TYR 380 Ca 0.21 2.04 -0.12 0.00 -2.44 0.00 0.00 57.07 56.77 2gum s TYR 380 Cb -0.15 0.70 0.08 0.00 0.35 0.00 0.00 41.96 42.94 2gum s TYR 380 CO 0.10 -0.76 0.90 0.41 -1.34 0.00 0.00 175.55 174.86 2gum n GLY 381 N 5.44 -0.45 1.43 8.97 0.00 -1.26 -2.46 105.19 116.86 2gum n GLY 381 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.67 0.59 3.42 -0.02 0.00 -1.26 -5.05 105.19 101.20 2gum n GLY 382 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2gum n GLY 382 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gum s SER 383 N -2.42 -0.15 0.01 1.61 1.04 -1.03 -4.22 113.70 108.54 2gum s SER 383 Ca 0.00 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 2gum s SER 383 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2gum s SER 383 CO 0.00 -0.96 0.24 -0.36 0.98 0.00 0.00 173.24 173.14 2gum s PHE 384 N -3.89 3.56 -0.19 5.02 0.08 -0.41 -0.44 117.98 121.71 2gum s PHE 384 Ca 0.10 0.49 -0.02 0.00 0.12 0.00 0.00 56.93 57.62 2gum s PHE 384 Cb 0.01 -1.93 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2gum s PHE 384 CO -0.04 0.62 -0.10 1.03 -0.10 0.00 0.00 175.22 176.63 2gum s ARG 385 N -1.86 3.26 -0.35 0.44 3.00 0.49 -2.24 118.95 121.69 2gum s ARG 385 Ca 0.28 -0.70 -0.05 0.00 0.00 0.00 0.00 55.73 55.26 2gum s ARG 385 Cb -0.13 -2.82 0.06 0.00 0.00 0.00 0.00 34.95 32.06 2gum s ARG 385 CO 0.17 -0.14 0.11 -0.06 0.00 0.00 0.00 175.30 175.39 2gum s PHE 386 N 1.26 3.33 -0.06 -0.53 0.40 -0.02 -1.87 117.98 120.48 2gum s PHE 386 Ca 0.03 -1.74 0.03 0.00 -0.60 0.00 0.00 56.93 54.65 2gum s PHE 386 Cb -0.14 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.87 2gum s PHE 386 CO -0.05 -0.81 -0.13 -1.54 0.70 0.00 0.00 175.22 173.39 2gum s SER 387 N 1.54 4.13 -0.24 1.36 1.04 -0.46 -0.41 113.70 120.66 2gum s SER 387 Ca -0.00 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.26 2gum s SER 387 Cb -0.21 -1.01 0.05 0.00 0.10 0.00 0.00 66.02 64.95 2gum s SER 387 CO 0.00 0.32 -0.12 -0.55 0.98 0.00 0.00 173.24 173.87 2gum s SER 388 N -0.58 4.03 0.33 7.02 0.15 0.30 -1.46 113.70 123.49 2gum s SER 388 Ca 0.08 -1.18 0.03 0.00 0.70 0.00 0.00 55.95 55.58 2gum s SER 388 Cb -0.11 -1.47 0.56 0.00 -1.71 0.00 0.00 66.02 63.29 2gum s SER 388 CO 0.01 -0.15 1.88 -0.78 1.20 0.00 0.00 173.24 175.40 2gum h ASP 389 N 7.84 0.59 -0.35 5.45 1.82 -1.86 -0.67 116.42 129.25 2gum h ASP 389 Ca -0.25 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2gum h ASP 389 Cb 1.07 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 2gum h ASP 389 CO 0.49 0.60 0.21 0.00 -1.61 0.00 0.00 179.24 178.93 2gum h ALA 390 N 1.48 0.45 -0.39 -0.78 0.00 -1.94 -3.09 119.26 114.99 2gum h ALA 390 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gum h ALA 390 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2gum h ALA 390 CO -0.00 -0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.64 2gum n ILE 391 N -4.80 1.90 -4.06 0.00 -5.35 -1.19 -4.99 119.36 100.88 2gum n ILE 391 Ca -0.01 -1.47 -0.33 0.00 -0.27 0.00 0.00 62.75 60.67 2gum n ILE 391 Cb 0.06 0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.18 -1.35 -4.06 7.28 7.64 -0.29 -4.97 113.62 118.04 2gum n SER 392 Ca 0.20 -1.16 -0.17 0.00 1.01 0.00 0.00 58.87 58.75 2gum n SER 392 Cb 0.80 -2.32 -0.13 0.00 -1.01 0.00 0.00 64.21 61.54 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 -3.95 0.73 -0.15 0.44 2.01 -0.99 -4.21 115.64 109.53 2gum s THR 393 Ca 0.17 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 2gum s THR 393 Cb -0.08 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.79 2gum s THR 393 CO 0.94 -0.05 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.90 2gum s THR 394 N -0.73 0.90 0.19 -0.82 2.01 -0.76 -0.54 115.64 115.88 2gum s THR 394 Ca -0.01 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.54 2gum s THR 394 Cb -0.06 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2gum s THR 394 CO 0.00 0.13 0.34 -0.36 -0.69 0.00 0.00 174.62 174.04 2gum s PHE 395 N 1.73 3.48 -0.05 4.92 0.40 0.45 -4.61 117.98 124.29 2gum s PHE 395 Ca 0.02 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 2gum s PHE 395 Cb -0.15 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.67 2gum s PHE 395 CO -0.07 0.45 -0.13 0.99 0.70 0.00 0.00 175.22 177.15 2gum s THR 396 N -1.84 1.15 0.20 0.64 2.01 -1.26 -0.84 115.64 115.70 2gum s THR 396 Ca 0.36 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2gum s THR 396 Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2gum s THR 396 CO 0.29 0.35 0.21 0.42 -0.69 0.00 0.00 174.62 175.20 2gum s THR 397 N 0.45 0.02 0.88 -0.82 -4.23 -0.95 -0.91 115.64 110.09 2gum s THR 397 Ca -0.11 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 2gum s THR 397 Cb -0.14 -2.30 0.12 0.00 1.34 0.00 0.00 72.50 71.52 2gum s THR 397 CO 0.03 -0.10 1.16 0.20 -0.54 0.00 0.00 174.62 175.37 2gum s ASN 398 N -3.09 3.82 0.42 3.99 0.01 -1.26 -1.28 114.94 117.54 2gum s ASN 398 Ca 0.31 0.86 0.23 0.00 -0.71 0.00 0.00 52.86 53.54 2gum s ASN 398 Cb 0.05 -1.37 0.48 0.00 0.41 0.00 0.00 41.25 40.82 2gum s ASN 398 CO 0.09 -2.34 1.65 -0.07 -1.51 0.00 0.00 177.10 174.91 2gum h LEU 399 N -1.36 0.00 -9.20 0.60 3.38 -1.92 -3.39 115.31 103.43 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 1.33 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 2gum h LEU 399 CO 0.62 0.13 0.19 -0.89 0.09 0.00 0.00 178.44 178.58 2gum s THR 400 N -3.26 4.99 0.83 0.22 2.01 -1.26 -5.03 115.64 114.13 2gum s THR 400 Ca 0.05 1.39 -0.15 0.00 0.31 0.00 0.00 61.69 63.29 2gum s THR 400 Cb 0.07 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2gum s THR 400 CO 0.67 0.13 0.47 -0.62 -0.69 0.00 0.00 174.62 174.57 2gum n GLU 401 N 4.74 0.04 -3.64 4.92 1.02 -1.26 -4.85 120.64 121.60 2gum n GLU 401 Ca 0.00 0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.84 2gum n GLU 401 Cb 0.50 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.12 3.47 -0.36 -0.32 5.04 0.67 -4.98 117.35 118.75 2gum s TYR 402 Ca 0.61 0.51 -0.28 0.00 -2.44 0.00 0.00 57.07 55.47 2gum s TYR 402 Cb -0.28 -2.23 -0.01 0.00 0.35 0.00 0.00 41.96 39.78 2gum s TYR 402 CO 0.62 0.32 1.74 -2.14 -1.34 0.00 0.00 175.55 174.76 2gum s PRO 403 N 0.21 3.33 0.50 4.97 0.02 -1.26 -4.70 135.00 138.08 2gum s PRO 403 Ca 0.13 1.31 0.25 0.00 0.02 0.00 0.00 61.00 62.71 2gum s PRO 403 Cb -0.12 -4.18 1.33 0.00 0.02 0.00 0.00 34.50 31.54 2gum s PRO 403 CO 0.02 -1.86 1.92 1.25 -0.33 0.00 0.00 177.00 178.00 2gum h LEU 404 N 13.60 0.12 -0.27 -5.54 5.85 -1.95 0.32 115.31 127.45 2gum h LEU 404 Ca -0.32 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2gum h LEU 404 Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2gum h LEU 404 CO 1.05 0.05 0.00 -1.54 -0.34 0.00 0.00 178.44 177.66 2gum n SER 405 N -4.38 0.27 0.17 1.25 3.41 -1.26 -2.01 113.62 111.08 2gum n SER 405 Ca 0.15 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2gum n SER 405 Cb 0.74 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 64.26 2gum n SER 405 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2gum h ARG 406 N 0.00 0.00 -6.32 4.33 2.43 -0.70 -3.44 114.38 110.69 2gum h ARG 406 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 2gum h ARG 406 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2gum h ARG 406 CO 0.00 0.00 1.23 0.08 -1.51 0.00 0.00 179.97 179.77 2gum s VAL 407 N -3.21 3.56 -0.23 0.20 1.01 -0.85 -1.70 120.40 119.18 2gum s VAL 407 Ca 0.06 0.58 -0.34 0.00 0.00 0.00 0.00 61.98 62.28 2gum s VAL 407 Cb 0.07 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 2gum s VAL 407 CO 0.68 -0.45 2.03 -0.67 0.00 0.00 0.00 175.10 176.69 2gum n ASP 408 N 9.83 2.82 -3.59 3.32 -0.08 -0.20 -2.79 116.55 125.85 2gum n ASP 408 Ca 0.21 0.66 -0.18 0.00 -1.51 0.00 0.00 54.79 53.98 2gum n ASP 408 Cb 0.47 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.60 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 8.45 -3.23 -1.23 -2.67 4.77 -1.26 -4.37 117.00 117.46 2gum n LEU 409 Ca 0.31 -0.71 -0.02 0.00 -0.03 0.00 0.00 56.01 55.56 2gum n LEU 409 Cb 0.27 -2.08 0.13 0.00 -2.33 0.00 0.00 43.42 39.41 2gum n LEU 409 CO 0.74 -0.04 0.25 0.61 -1.33 0.00 0.00 177.39 177.62 2gum n GLY 410 N -1.65 4.65 0.00 -0.72 0.00 -1.12 -1.34 105.19 105.01 2gum n GLY 410 Ca -0.23 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.75 0.00 0.00 1.61 8.00 -1.26 -1.71 116.55 122.43 2gum n ASP 411 Ca 0.23 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.78 2gum n ASP 411 Cb 0.83 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.81 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 -0.47 0.00 2.04 -1.70 0.19 117.51 117.57 2gum h ILE 413 Ca -0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2gum h ILE 413 Cb 1.33 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 2gum h ILE 413 CO 0.01 0.00 -0.00 1.23 0.00 0.00 0.00 178.15 179.39 2gum h GLY 414 N -1.22 0.48 0.19 5.37 0.00 -1.80 0.59 103.07 106.69 2gum h GLY 414 Ca -0.11 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2gum h GLY 414 CO 0.13 -0.13 -0.19 0.50 0.00 0.00 0.00 176.54 176.86 2gum h LYS 415 N 0.11 -0.36 -0.88 4.80 1.57 -1.73 -2.10 116.57 117.98 2gum h LYS 415 Ca 0.24 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.22 2gum h LYS 415 Cb 0.35 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.64 2gum h LYS 415 CO -0.40 -0.24 0.44 -0.44 -0.57 0.00 0.00 179.45 178.24 2gum h ASP 416 N -0.38 0.47 -0.33 0.86 3.32 -0.38 -0.85 116.42 119.15 2gum h ASP 416 Ca -0.02 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2gum h ASP 416 Cb 0.32 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2gum h ASP 416 CO -0.02 0.14 -0.01 0.00 -1.72 0.00 0.00 179.24 177.63 2gum h ALA 417 N 1.63 0.44 -0.14 3.45 0.00 -0.83 -0.15 119.26 123.66 2gum h ALA 417 Ca 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2gum h ALA 417 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2gum h ALA 417 CO -0.43 0.21 0.08 -0.09 0.00 0.00 0.00 179.25 179.02 2gum h ARG 418 N 0.39 0.19 -0.04 0.00 2.43 -0.84 1.12 114.38 117.64 2gum h ARG 418 Ca 0.09 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2gum h ARG 418 Cb 0.47 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2gum h ARG 418 CO 0.02 0.21 -0.28 -0.44 -1.51 0.00 0.00 179.97 177.96 2gum h ASP 419 N 0.13 -0.85 -0.36 -3.80 5.19 -1.05 0.39 116.42 116.07 2gum h ASP 419 Ca 0.05 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.50 2gum h ASP 419 Cb 0.07 0.35 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2gum h ASP 419 CO -0.01 -0.34 -0.06 0.00 -3.12 0.00 0.00 179.24 175.71 2gum h ALA 420 N 0.40 0.49 -0.51 3.45 0.00 -0.77 -2.79 119.26 119.53 2gum h ALA 420 Ca 0.07 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2gum h ALA 420 Cb 0.51 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2gum h ALA 420 CO -0.27 0.32 0.20 1.98 0.00 0.00 0.00 179.25 181.48 2gum h MET 421 N 0.47 0.38 -0.31 0.00 -1.53 0.17 -1.65 114.93 112.46 2gum h MET 421 Ca 0.09 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.21 2gum h MET 421 Cb 0.56 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 2gum h MET 421 CO 0.03 0.25 -0.26 -0.44 0.14 0.00 0.00 176.91 176.63 2gum h ASP 422 N 0.39 0.77 -0.26 1.39 3.32 -0.95 -1.67 116.42 119.41 2gum h ASP 422 Ca 0.24 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 56.91 2gum h ASP 422 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2gum h ASP 422 CO -0.23 1.06 0.19 -0.09 -1.72 0.00 0.00 179.24 178.45 2gum h ARG 423 N 0.48 0.00 0.16 3.56 2.43 -1.19 -1.15 114.38 118.66 2gum h ARG 423 Ca 0.05 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 2gum h ARG 423 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2gum h ARG 423 CO 0.07 0.00 -1.68 0.82 -1.51 0.00 0.00 179.97 177.67 2gum h ILE 424 N 0.00 0.93 -0.11 1.20 2.04 -1.16 -3.00 117.51 117.41 2gum h ILE 424 Ca 0.12 -2.46 0.04 0.00 1.00 0.00 0.00 64.86 63.57 2gum h ILE 424 Cb 0.51 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 2gum h ILE 424 CO -0.00 0.82 -0.19 0.15 0.00 0.00 0.00 178.15 178.93 2gum h PHE 425 N -0.02 -0.50 0.32 1.37 3.57 -0.77 -0.67 116.94 120.24 2gum h PHE 425 Ca -0.34 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2gum h PHE 425 Cb 1.99 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.96 2gum h PHE 425 CO 0.11 -0.27 -0.26 0.00 -2.23 0.00 0.00 178.31 175.66 2gum h ALA 426 N 0.74 -1.02 0.00 2.41 0.00 -1.37 1.31 119.26 121.33 2gum h ALA 426 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gum h ALA 426 Cb 0.39 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2gum h ALA 426 CO -0.26 -1.02 0.43 -0.09 0.00 0.00 0.00 179.25 178.32 2gum h ARG 427 N -0.57 0.00 0.00 0.00 2.43 -1.37 -3.34 114.38 111.53 2gum h ARG 427 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2gum h ARG 427 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2gum h ARG 427 CO 0.00 0.00 0.00 -2.13 -1.51 0.00 0.00 179.97 176.33 2gum n ARG 428 N -2.65 4.31 0.00 0.20 0.63 -0.27 -4.99 116.66 113.89 2gum n ARG 428 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2gum n ARG 428 Cb 0.47 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 33.00 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 -0.03 0.00 -0.24 -0.14 4.02 0.42 -4.71 117.16 116.49 2gum n TYR 429 Ca 0.00 0.00 0.32 0.00 -0.01 0.00 0.00 57.90 58.21 2gum n TYR 429 Cb 0.00 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.00 0.00 -0.03 7.72 -1.07 -0.98 0.23 115.58 121.45 2gum h ASN 430 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2gum h ASN 430 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2gum h ASN 430 CO 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 177.43 177.46 2gum n ALA 431 N -2.56 2.55 0.00 4.14 0.00 -1.26 -4.63 120.51 118.75 2gum n ALA 431 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2gum n ALA 431 Cb 1.25 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 1.12 0.00 -4.25 0.00 -1.04 0.58 -5.00 114.28 105.69 2gum n THR 432 Ca 0.12 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.93 2gum n THR 432 Cb 0.54 0.63 -0.09 0.00 -1.82 0.00 0.00 70.33 69.58 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 -0.25 1.41 0.02 -1.42 3.76 0.04 -0.33 115.29 118.51 2gum s HIS 433 Ca 0.00 -1.45 0.04 0.00 -0.15 0.00 0.00 55.06 53.50 2gum s HIS 433 Cb 0.00 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 33.01 2gum s HIS 433 CO 0.00 -0.67 -0.11 0.42 -0.85 0.00 0.00 174.74 173.53 2gum s ILE 434 N -3.86 0.85 0.23 0.60 1.09 0.29 -4.58 121.20 115.82 2gum s ILE 434 Ca 0.39 -0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 58.87 2gum s ILE 434 Cb 0.05 -0.77 -0.09 0.00 -1.06 0.00 0.00 42.46 40.59 2gum s ILE 434 CO 0.17 0.01 1.21 -0.54 -0.10 0.00 0.00 174.94 175.70 2gum s LYS 435 N -0.86 4.49 -0.80 2.79 1.02 -1.26 -2.41 119.74 122.71 2gum s LYS 435 Ca 0.00 1.94 -0.03 0.00 0.02 0.00 0.00 55.97 57.91 2gum s LYS 435 Cb -0.06 -3.20 0.20 0.00 -0.52 0.00 0.00 37.83 34.25 2gum s LYS 435 CO 0.01 -0.07 0.67 0.08 -0.92 0.00 0.00 175.35 175.12 2gum s VAL 436 N -0.41 4.21 0.00 3.17 1.01 -0.87 -4.97 120.40 122.55 2gum s VAL 436 Ca 0.51 -3.51 0.00 0.00 0.00 0.00 0.00 61.98 58.98 2gum s VAL 436 Cb -0.34 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2gum s VAL 436 CO 0.40 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 175.09 2gum n GLY 437 N 2.78 -1.79 3.87 4.51 0.00 -1.26 -4.58 105.19 108.72 2gum n GLY 437 Ca 0.17 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 3.84 0.35 1.61 0.00 -1.26 -4.92 119.66 119.28 2gum s GLN 438 Ca 0.00 0.34 -0.28 0.00 -0.00 0.00 0.00 55.36 55.42 2gum s GLN 438 Cb 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 33.01 30.26 2gum s GLN 438 CO 0.00 0.30 1.33 -2.30 0.00 0.00 0.00 175.29 174.62 2gum n PRO 439 N -0.13 2.23 -4.23 9.60 -0.02 -1.26 -4.85 135.00 136.33 2gum n PRO 439 Ca 0.01 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 62.03 2gum n PRO 439 Cb 0.52 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.94 2.43 -0.06 -0.52 -0.21 0.16 -4.89 119.66 114.63 2gum s GLN 440 Ca 0.55 -1.24 0.04 0.00 0.02 0.00 0.00 55.36 54.73 2gum s GLN 440 Cb -0.55 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2gum s GLN 440 CO 0.62 0.41 -0.17 0.71 -2.12 0.00 0.00 175.29 174.74 2gum s TYR 441 N -2.06 1.82 0.01 0.91 1.51 -1.26 0.15 117.35 118.43 2gum s TYR 441 Ca 0.30 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2gum s TYR 441 Cb -0.08 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 2gum s TYR 441 CO 0.20 -0.25 -0.07 0.71 -1.11 0.00 0.00 175.55 175.03 2gum s TYR 442 N 0.28 0.66 -0.32 2.71 1.51 -0.42 -0.24 117.35 121.53 2gum s TYR 442 Ca -0.10 -0.23 -0.20 0.00 -1.01 0.00 0.00 57.07 55.53 2gum s TYR 442 Cb -0.14 -0.41 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 2gum s TYR 442 CO 0.04 -0.02 0.60 -1.14 -1.11 0.00 0.00 175.55 173.92 2gum s GLN 443 N -0.60 3.81 0.34 -0.62 2.00 -1.26 -0.14 119.66 123.18 2gum s GLN 443 Ca -0.01 0.16 -0.01 0.00 -2.00 0.00 0.00 55.36 53.51 2gum s GLN 443 Cb -0.05 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 2gum s GLN 443 CO 0.00 -0.60 0.55 0.00 -0.50 0.00 0.00 175.29 174.74 2gum s ALA 444 N 2.57 3.68 0.40 1.58 0.00 0.25 -4.37 121.76 125.88 2gum s ALA 444 Ca 0.23 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 2gum s ALA 444 Cb -0.15 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 2gum s ALA 444 CO 0.13 0.03 1.36 -0.80 0.00 0.00 0.00 175.76 176.48 2gum s ASN 445 N -3.86 6.26 0.00 0.00 0.01 -0.09 -2.23 114.94 115.03 2gum s ASN 445 Ca 0.41 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.35 2gum s ASN 445 Cb -0.10 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2gum s ASN 445 CO 0.35 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 2gum n GLY 446 N 0.63 0.28 1.24 0.66 0.00 -1.26 -4.42 105.19 102.31 2gum n GLY 446 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.65 0.92 3.49 -0.02 0.00 -0.95 -1.23 105.19 105.74 2gum n GLY 447 Ca 0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.57 3.05 -0.26 1.61 0.40 -1.17 -4.34 117.98 114.70 2gum s PHE 448 Ca 0.00 -0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 55.84 2gum s PHE 448 Cb 0.00 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2gum s PHE 448 CO 0.00 -0.11 0.39 -1.17 0.70 0.00 0.00 175.22 175.04 2gum s LEU 449 N 0.62 4.05 -0.22 -0.37 2.96 -0.65 0.87 118.68 125.94 2gum s LEU 449 Ca -0.01 0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2gum s LEU 449 Cb -0.14 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2gum s LEU 449 CO 0.02 -0.19 0.05 -0.63 -1.32 0.00 0.00 176.35 174.29 2gum s ILE 450 N 2.04 4.34 -0.21 6.68 1.01 0.79 -0.22 121.20 135.63 2gum s ILE 450 Ca 0.16 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2gum s ILE 450 Cb -0.16 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2gum s ILE 450 CO 0.10 0.39 0.46 0.00 0.00 0.00 0.00 174.94 175.88 2gum s ALA 451 N 1.19 3.55 -0.04 9.38 0.00 -0.25 -1.30 121.76 134.30 2gum s ALA 451 Ca 0.04 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2gum s ALA 451 Cb -0.14 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.24 2gum s ALA 451 CO 0.03 -0.41 -0.12 -0.47 0.00 0.00 0.00 175.76 174.78 2gum s TYR 452 N 1.56 1.34 -0.34 0.00 5.04 0.12 -1.43 117.35 123.65 2gum s TYR 452 Ca 0.21 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 2gum s TYR 452 Cb -0.15 -0.95 0.10 0.00 0.35 0.00 0.00 41.96 41.31 2gum s TYR 452 CO 0.09 -0.18 0.06 -1.14 -1.34 0.00 0.00 175.55 173.04 2gum s GLN 453 N 0.32 1.41 0.71 4.97 2.00 -0.38 0.41 119.66 129.11 2gum s GLN 453 Ca -0.07 -1.81 -0.16 0.00 -2.00 0.00 0.00 55.36 51.31 2gum s GLN 453 Cb -0.12 -3.09 0.02 0.00 0.80 0.00 0.00 33.01 30.63 2gum s GLN 453 CO 0.02 -0.95 1.20 -2.30 -0.50 0.00 0.00 175.29 172.76 2gum n PRO 454 N 4.28 0.69 -3.97 1.67 -0.02 -1.26 -1.88 135.00 134.51 2gum n PRO 454 Ca 0.03 0.30 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 2gum n PRO 454 Cb 0.42 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 2gum n PRO 454 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gum n LEU 455 N -2.31 0.00 -3.63 2.45 4.77 -0.15 -2.05 117.00 116.09 2gum n LEU 455 Ca 0.15 -2.68 -0.01 0.00 -0.03 0.00 0.00 56.01 53.43 2gum n LEU 455 Cb 0.49 1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 42.70 2gum n LEU 455 CO 0.48 -0.43 0.72 -0.22 -1.33 0.00 0.00 177.39 176.60 2gum s LEU 456 N 0.00 -0.45 0.60 2.23 2.96 -1.01 -4.57 118.68 118.44 2gum s LEU 456 Ca 0.27 0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 54.71 2gum s LEU 456 Cb 0.01 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.32 2gum s LEU 456 CO 0.19 -0.11 1.15 -0.94 -1.32 0.00 0.00 176.35 175.31 2gum s SER 457 N 1.38 5.30 0.43 3.68 1.04 -1.26 -0.55 113.70 123.71 2gum s SER 457 Ca -0.08 2.18 0.13 0.00 0.48 0.00 0.00 55.95 58.66 2gum s SER 457 Cb -0.04 -2.58 0.92 0.00 0.10 0.00 0.00 66.02 64.43 2gum s SER 457 CO -0.14 -1.51 1.96 0.78 0.98 0.00 0.00 173.24 175.30 2gum h ASN 458 N 0.65 0.06 -1.74 7.02 2.35 -1.02 -2.80 115.58 120.10 2gum h ASN 458 Ca -0.49 -0.01 0.50 0.00 -0.55 0.00 0.00 56.30 55.75 2gum h ASN 458 Cb 1.27 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.55 2gum h ASN 458 CO 0.55 0.25 1.29 0.41 -1.65 0.00 0.00 177.43 178.28 2gum n THR 459 N -4.29 0.00 0.07 2.81 -1.04 -1.26 0.10 114.28 110.67 2gum n THR 459 Ca -0.02 1.34 -0.11 0.00 -2.04 0.00 0.00 64.05 63.23 2gum n THR 459 Cb 0.26 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 66.45 2gum n THR 459 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2gum h LEU 460 N 0.00 -0.22 0.00 -4.42 5.85 -1.88 -3.56 115.31 111.08 2gum h LEU 460 Ca 0.83 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2gum h LEU 460 Cb 3.40 0.06 0.00 0.00 0.37 0.00 0.00 40.66 44.48 2gum h LEU 460 CO -0.01 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 2gum n ALA 461 N -2.58 0.00 0.00 1.25 0.00 0.29 -5.18 120.51 114.29 2gum n ALA 461 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2gum n ALA 461 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2gum n ALA 461 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gum n SER 491 N -0.36 0.00 -4.81 0.00 3.41 -1.26 -5.09 113.62 105.52 2gum n SER 491 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2gum n SER 491 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 4.87 0.20 -3.33 1.01 -1.26 -4.90 120.40 116.99 2gum s VAL 492 Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.97 2gum s VAL 492 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2gum s VAL 492 CO 0.00 0.54 0.33 -1.83 0.00 0.00 0.00 175.10 174.13 2gum s GLU 493 N -0.92 1.31 -0.16 2.72 -1.05 -0.69 -4.85 118.70 115.06 2gum s GLU 493 Ca 0.27 -1.30 -0.08 0.00 -0.15 0.00 0.00 54.97 53.72 2gum s GLU 493 Cb -0.18 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 2gum s GLU 493 CO 0.16 -0.50 0.11 1.03 0.95 0.00 0.00 175.26 177.02 2gum s ARG 494 N -4.03 3.83 0.00 -4.83 0.52 -1.26 -1.04 118.95 112.15 2gum s ARG 494 Ca 0.24 -0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 54.94 2gum s ARG 494 Cb 0.03 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 2gum s ARG 494 CO 0.06 0.48 0.91 0.42 0.02 0.00 0.00 175.30 177.18 2gum s ILE 495 N -0.17 4.85 -0.17 1.52 1.01 -1.26 -5.04 121.20 121.94 2gum s ILE 495 Ca 0.10 1.91 -0.07 0.00 0.00 0.00 0.00 60.65 62.59 2gum s ILE 495 Cb -0.12 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2gum s ILE 495 CO 0.01 0.21 0.07 -0.54 0.00 0.00 0.00 174.94 174.68 2gum s LYS 496 N 0.77 3.85 -0.01 2.79 -0.14 -1.26 -4.53 119.74 121.21 2gum s LYS 496 Ca 0.48 -0.32 0.05 0.00 -1.36 0.00 0.00 55.97 54.81 2gum s LYS 496 Cb -0.21 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.73 2gum s LYS 496 CO 0.26 0.36 -0.14 0.99 -0.76 0.00 0.00 175.35 176.06 2gum s THR 497 N 0.12 3.06 0.38 2.17 2.01 -1.26 -4.02 115.64 118.09 2gum s THR 497 Ca 0.05 -0.90 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 2gum s THR 497 Cb -0.12 -2.25 -0.09 0.00 0.01 0.00 0.00 72.50 70.04 2gum s THR 497 CO 0.01 0.46 1.01 0.28 -0.69 0.00 0.00 174.62 175.69 2gum s THR 498 N -0.85 3.91 -1.25 -0.82 -1.32 -0.37 -4.94 115.64 110.01 2gum s THR 498 Ca 0.14 1.48 0.30 0.00 -1.21 0.00 0.00 61.69 62.40 2gum s THR 498 Cb -0.11 -3.78 0.39 0.00 -1.51 0.00 0.00 72.50 67.50 2gum s THR 498 CO 0.03 0.03 1.98 -1.20 -2.21 0.00 0.00 174.62 173.26 2gum n SER 499 N 0.11 0.03 -4.28 8.08 7.64 -1.26 -4.72 113.62 119.21 2gum n SER 499 Ca 0.04 0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.68 2gum n SER 499 Cb 0.50 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 2gum n SER 499 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gum s SER 500 N -2.76 4.25 0.00 6.43 0.15 -1.26 -4.96 113.70 115.55 2gum s SER 500 Ca 0.22 -0.50 0.26 0.00 0.70 0.00 0.00 55.95 56.64 2gum s SER 500 Cb 0.20 -1.72 0.70 0.00 -1.71 0.00 0.00 66.02 63.49 2gum s SER 500 CO 0.50 -0.04 1.54 0.00 1.20 0.00 0.00 173.24 176.43 2gum n ILE 501 N 4.77 0.00 -0.33 6.45 0.13 -1.26 -4.49 119.36 124.62 2gum n ILE 501 Ca -0.18 -0.25 0.08 0.00 -1.10 0.00 0.00 62.75 61.30 2gum n ILE 501 Cb 0.50 0.71 0.25 0.00 -0.84 0.00 0.00 39.64 40.26 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 2.39 0.78 -0.46 9.51 4.39 -1.99 -1.99 114.58 127.21 2gum h GLU 502 Ca 0.00 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.73 2gum h GLU 502 Cb 0.61 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 2gum h GLU 502 CO 0.00 0.52 0.05 0.27 -1.16 0.00 0.00 179.01 178.69 2gum h PHE 503 N 0.81 0.07 -0.05 4.33 -5.15 -2.00 0.34 116.94 115.29 2gum h PHE 503 Ca 0.50 0.03 -0.04 0.00 -0.20 0.00 0.00 57.97 58.25 2gum h PHE 503 Cb 0.62 0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.82 2gum h PHE 503 CO -0.04 -0.05 -0.16 0.00 -2.00 0.00 0.00 178.31 176.06 2gum h ALA 504 N 1.38 1.64 0.06 12.09 0.00 -1.62 0.25 119.26 133.06 2gum h ALA 504 Ca 0.23 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2gum h ALA 504 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2gum h ALA 504 CO -0.34 0.27 -1.07 0.00 0.00 0.00 0.00 179.25 178.11 2gum h ARG 505 N 0.08 0.22 -0.42 0.00 3.08 -1.13 -1.42 114.38 114.79 2gum h ARG 505 Ca 0.02 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 2gum h ARG 505 Cb 0.34 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2gum h ARG 505 CO 0.02 1.10 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.78 2gum h LEU 506 N 0.09 0.88 -0.00 3.04 3.38 -0.46 -0.73 115.31 121.51 2gum h LEU 506 Ca -0.08 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.51 2gum h LEU 506 Cb 1.77 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2gum h LEU 506 CO 0.17 1.08 -0.11 -0.61 0.09 0.00 0.00 178.44 179.05 2gum h GLN 507 N 0.68 -0.19 -0.59 1.13 5.75 -0.44 0.50 115.11 121.94 2gum h GLN 507 Ca 0.10 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.64 2gum h GLN 507 Cb 0.73 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 2gum h GLN 507 CO 0.06 -0.12 0.35 0.35 -2.65 0.00 0.00 178.83 176.81 2gum h PHE 508 N -0.19 0.65 -0.27 3.99 3.57 -1.17 0.11 116.94 123.62 2gum h PHE 508 Ca 0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2gum h PHE 508 Cb 0.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2gum h PHE 508 CO -0.17 0.35 0.01 1.15 -2.23 0.00 0.00 178.31 177.42 2gum h THR 509 N 0.68 1.25 0.03 4.41 2.02 -0.79 -1.76 112.91 118.75 2gum h THR 509 Ca 0.25 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2gum h THR 509 Cb 0.06 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2gum h THR 509 CO -0.12 0.28 -0.02 0.22 0.37 0.00 0.00 175.52 176.26 2gum h TYR 510 N 0.26 -0.04 -0.80 3.16 5.03 -0.72 -2.26 116.97 121.60 2gum h TYR 510 Ca 0.08 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.51 2gum h TYR 510 Cb 0.40 0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.61 2gum h TYR 510 CO 0.03 0.16 0.42 -0.91 -1.32 0.00 0.00 178.16 176.54 2gum h ASN 511 N -0.24 0.53 -0.28 -2.11 2.35 -0.76 0.10 115.58 115.18 2gum h ASN 511 Ca -0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2gum h ASN 511 Cb 0.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2gum h ASN 511 CO 0.01 0.26 0.13 -0.74 -1.65 0.00 0.00 177.43 175.44 2gum h HIS 512 N 0.65 0.41 -0.29 1.19 2.76 -1.12 0.08 115.15 118.83 2gum h HIS 512 Ca 0.42 -0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.41 2gum h HIS 512 Cb 0.51 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 2gum h HIS 512 CO -0.09 0.39 -0.40 0.82 -1.30 0.00 0.00 177.93 177.34 2gum h ILE 513 N 0.31 1.29 0.11 6.26 2.04 -0.98 -2.42 117.51 124.13 2gum h ILE 513 Ca 0.10 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.38 2gum h ILE 513 Cb 0.14 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2gum h ILE 513 CO -0.01 0.51 -0.23 -0.61 0.00 0.00 0.00 178.15 177.81 2gum h GLN 514 N 0.54 -0.41 -0.33 2.37 4.15 -0.63 0.14 115.11 120.94 2gum h GLN 514 Ca 0.03 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.55 2gum h GLN 514 Cb 1.00 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.71 2gum h GLN 514 CO 0.09 -0.27 -0.16 -0.09 -1.93 0.00 0.00 178.83 176.48 2gum h ARG 515 N -0.43 -0.10 -0.23 1.69 2.43 -0.98 0.51 114.38 117.27 2gum h ARG 515 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2gum h ARG 515 Cb 0.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2gum h ARG 515 CO -0.13 -0.07 0.15 1.25 -1.51 0.00 0.00 179.97 179.66 2gum h HIS 516 N -0.10 0.29 -0.40 2.20 2.76 -0.89 -1.03 115.15 117.98 2gum h HIS 516 Ca 0.17 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.19 2gum h HIS 516 Cb 0.36 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2gum h HIS 516 CO -0.37 0.19 -0.37 -0.39 -1.30 0.00 0.00 177.93 175.69 2gum h VAL 517 N 0.31 1.27 -0.67 5.26 -1.51 -0.37 -1.05 116.25 119.50 2gum h VAL 517 Ca 0.08 -1.54 -0.03 0.00 -1.23 0.00 0.00 66.70 63.98 2gum h VAL 517 Cb -0.03 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 30.45 2gum h VAL 517 CO -0.02 0.52 0.29 0.78 -1.23 0.00 0.00 177.57 177.91 2gum h ASN 518 N 0.78 0.90 0.76 4.19 2.35 -0.85 -0.22 115.58 123.50 2gum h ASN 518 Ca 0.07 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2gum h ASN 518 Cb 0.97 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.11 2gum h ASN 518 CO 0.09 0.81 -0.37 -0.78 -1.65 0.00 0.00 177.43 175.53 2gum h ASP 519 N 0.94 -0.88 -0.48 5.81 3.58 -1.03 0.15 116.42 124.51 2gum h ASP 519 Ca 0.23 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 2gum h ASP 519 Cb 0.17 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2gum h ASP 519 CO -0.02 -0.62 0.14 0.24 -2.88 0.00 0.00 179.24 176.10 2gum h MET 520 N -1.03 0.75 0.00 0.28 2.86 -1.13 -1.02 114.93 115.65 2gum h MET 520 Ca -0.10 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 2gum h MET 520 Cb 0.79 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2gum h MET 520 CO 0.17 0.72 -0.42 -0.07 1.06 0.00 0.00 176.91 178.37 2gum h LEU 521 N 0.64 0.00 -0.64 1.22 3.38 -1.06 -0.95 115.31 117.90 2gum h LEU 521 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2gum h LEU 521 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2gum h LEU 521 CO -0.00 0.42 0.05 1.23 0.09 0.00 0.00 178.44 180.22 2gum h GLY 522 N 1.44 1.19 1.71 0.83 0.00 -0.33 -1.26 103.07 106.65 2gum h GLY 522 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 2gum h GLY 522 CO 0.05 0.77 -0.39 3.21 0.00 0.00 0.00 176.54 180.18 2gum h ARG 523 N 1.01 0.33 -0.60 4.80 3.08 -0.48 -2.43 114.38 120.09 2gum h ARG 523 Ca 0.19 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2gum h ARG 523 Cb 0.51 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2gum h ARG 523 CO 0.02 0.68 0.21 0.28 -1.07 0.00 0.00 179.97 180.09 2gum h VAL 524 N 0.28 1.24 -0.20 2.04 2.07 -0.61 -0.44 116.25 120.63 2gum h VAL 524 Ca 0.03 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2gum h VAL 524 Cb 0.82 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2gum h VAL 524 CO 0.07 0.30 0.13 0.00 0.02 0.00 0.00 177.57 178.08 2gum h ALA 525 N 1.07 0.25 -0.45 1.67 0.00 -1.00 0.25 119.26 121.04 2gum h ALA 525 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2gum h ALA 525 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2gum h ALA 525 CO -0.01 -0.28 0.21 0.82 0.00 0.00 0.00 179.25 179.99 2gum h ILE 526 N 0.26 1.18 -0.19 0.00 2.04 -1.29 -1.23 117.51 118.29 2gum h ILE 526 Ca 0.07 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2gum h ILE 526 Cb -0.02 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2gum h ILE 526 CO -0.02 0.20 -0.16 0.00 0.00 0.00 0.00 178.15 178.17 2gum h ALA 527 N 1.06 1.38 -0.06 1.87 0.00 -0.65 -0.86 119.26 121.99 2gum h ALA 527 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2gum h ALA 527 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2gum h ALA 527 CO -0.02 0.43 -0.00 2.35 0.00 0.00 0.00 179.25 182.01 2gum h TRP 528 N 0.29 0.12 -0.35 0.00 2.91 0.13 -0.20 115.95 118.85 2gum h TRP 528 Ca 0.06 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.10 2gum h TRP 528 Cb 0.46 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.04 2gum h TRP 528 CO 0.01 0.39 0.11 0.00 -1.03 0.00 0.00 178.44 177.92 2gum h GLU 530 N 0.26 0.34 -0.73 0.00 5.08 -1.00 -1.10 114.58 117.42 2gum h GLU 530 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2gum h GLU 530 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2gum h GLU 530 CO -0.18 0.23 0.47 1.25 -1.00 0.00 0.00 179.01 179.78 2gum h LEU 531 N 0.35 0.79 -0.57 1.33 5.85 -0.50 -0.39 115.31 122.18 2gum h LEU 531 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2gum h LEU 531 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2gum h LEU 531 CO -0.06 0.56 0.36 1.56 -0.34 0.00 0.00 178.44 180.52 2gum h GLN 532 N 0.94 0.77 -0.28 1.25 1.08 -0.50 0.89 115.11 119.25 2gum h GLN 532 Ca 0.28 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2gum h GLN 532 Cb -0.04 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2gum h GLN 532 CO -0.09 0.54 0.18 -0.91 -0.95 0.00 0.00 178.83 177.60 2gum h ASN 533 N 0.77 0.33 -0.48 1.46 2.35 -0.85 -2.68 115.58 116.49 2gum h ASN 533 Ca 0.21 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2gum h ASN 533 Cb -0.04 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 2gum h ASN 533 CO -0.04 0.26 0.19 -0.74 -1.65 0.00 0.00 177.43 175.45 2gum h HIS 534 N 0.37 0.33 -0.52 1.19 2.76 -0.62 -2.57 115.15 116.10 2gum h HIS 534 Ca 0.10 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2gum h HIS 534 Cb -0.02 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2gum h HIS 534 CO -0.05 0.13 0.35 0.93 -1.30 0.00 0.00 177.93 177.98 2gum h GLU 535 N 0.37 0.40 -1.01 5.26 4.39 -0.50 -2.75 114.58 120.74 2gum h GLU 535 Ca 0.22 -0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.14 2gum h GLU 535 Cb 0.21 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.67 2gum h GLU 535 CO -0.21 0.27 0.65 1.25 -1.16 0.00 0.00 179.01 179.80 2gum h LEU 536 N 0.41 0.50 -0.82 1.33 5.85 -1.26 0.18 115.31 121.51 2gum h LEU 536 Ca 0.23 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2gum h LEU 536 Cb 0.37 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2gum h LEU 536 CO -0.06 0.12 0.53 0.74 -0.34 0.00 0.00 178.44 179.44 2gum h THR 537 N 0.46 1.15 -0.44 1.05 2.02 -1.66 -0.12 112.91 115.37 2gum h THR 537 Ca 0.58 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 67.26 2gum h THR 537 Cb 1.36 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2gum h THR 537 CO -0.30 0.19 -0.28 -0.07 0.37 0.00 0.00 175.52 175.43 2gum h LEU 538 N 1.05 1.00 -1.28 2.58 3.38 -0.82 -2.97 115.31 118.24 2gum h LEU 538 Ca 0.32 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2gum h LEU 538 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2gum h LEU 538 CO -0.10 1.21 -0.26 -0.50 0.09 0.00 0.00 178.44 178.87 2gum h TRP 539 N 0.79 0.16 -0.10 1.13 4.06 -0.87 -0.66 115.95 120.46 2gum h TRP 539 Ca 0.09 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.95 2gum h TRP 539 Cb 0.86 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 2gum h TRP 539 CO 0.06 0.41 -0.21 -0.91 -3.56 0.00 0.00 178.44 174.23 2gum h ASN 540 N 0.14 0.17 0.22 -3.49 2.35 -0.88 -1.00 115.58 113.09 2gum h ASN 540 Ca 0.02 -0.04 -0.34 0.00 -0.55 0.00 0.00 56.30 55.39 2gum h ASN 540 Cb 0.54 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.89 2gum h ASN 540 CO 0.04 0.39 -1.60 -0.33 -1.65 0.00 0.00 177.43 174.27 2gum h GLU 541 N 0.16 0.47 -0.73 0.81 4.39 -1.27 -3.35 114.58 115.06 2gum h GLU 541 Ca 0.03 -0.80 0.00 0.00 0.34 0.00 0.00 59.36 58.93 2gum h GLU 541 Cb 0.47 0.30 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2gum h GLU 541 CO 0.03 1.38 0.47 0.00 -1.16 0.00 0.00 179.01 179.73 2gum h ALA 542 N 0.13 0.93 -0.06 3.43 0.00 -0.98 -2.35 119.26 120.36 2gum h ALA 542 Ca -0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2gum h ALA 542 Cb 2.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2gum h ALA 542 CO 0.23 0.37 0.11 0.07 0.00 0.00 0.00 179.25 180.03 2gum h ARG 543 N 1.00 0.00 0.15 0.00 0.11 -1.31 -0.21 114.38 114.11 2gum h ARG 543 Ca 0.27 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.06 2gum h ARG 543 Cb -0.08 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.01 2gum h ARG 543 CO -0.05 0.00 -1.30 0.87 0.10 0.00 0.00 179.97 179.59 2gum h LYS 544 N 0.00 0.31 0.01 0.08 1.57 -1.55 -2.80 116.57 114.18 2gum h LYS 544 Ca 0.03 -0.53 -0.21 0.00 -1.87 0.00 0.00 60.65 58.07 2gum h LYS 544 Cb 0.24 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2gum h LYS 544 CO -0.00 1.24 -0.91 -0.07 -0.57 0.00 0.00 179.45 179.14 2gum h LEU 545 N 0.08 0.35 -5.66 2.94 3.38 -1.01 -3.40 115.31 111.99 2gum h LEU 545 Ca -0.16 -0.29 -0.42 0.00 0.09 0.00 0.00 57.88 57.11 2gum h LEU 545 Cb 2.00 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 42.36 2gum h LEU 545 CO 0.21 1.09 -0.83 -3.20 0.09 0.00 0.00 178.44 175.80 2gum n ASN 546 N -3.68 -1.29 -0.31 -0.43 2.85 -0.47 -5.02 115.26 106.90 2gum n ASN 546 Ca -0.05 -2.84 0.08 0.00 -0.11 0.00 0.00 54.58 51.67 2gum n ASN 546 Cb 0.82 0.38 0.25 0.00 1.24 0.00 0.00 39.78 42.47 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 4.43 0.66 0.23 1.20 0.13 -1.71 -2.07 132.00 134.87 2gum h PRO 547 Ca 0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2gum h PRO 547 Cb 0.96 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2gum h PRO 547 CO 0.35 0.44 -0.20 -0.91 -0.23 0.00 0.00 178.00 177.45 2gum h ASN 548 N 0.68 -0.52 -0.22 1.44 4.21 -1.85 0.10 115.58 119.42 2gum h ASN 548 Ca 0.49 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 58.04 2gum h ASN 548 Cb 0.69 0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 2gum h ASN 548 CO -0.36 -0.30 0.11 0.00 -1.29 0.00 0.00 177.43 175.59 2gum h ALA 549 N 0.28 0.29 -0.50 -0.83 0.00 -1.81 0.24 119.26 116.93 2gum h ALA 549 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2gum h ALA 549 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2gum h ALA 549 CO -0.03 -0.16 0.06 0.82 0.00 0.00 0.00 179.25 179.94 2gum h ILE 550 N 0.23 1.25 -0.47 0.00 5.03 -1.34 -1.87 117.51 120.34 2gum h ILE 550 Ca 0.08 -0.97 -0.04 0.00 -0.12 0.00 0.00 64.86 63.81 2gum h ILE 550 Cb 0.11 0.92 -0.02 0.00 -3.03 0.00 0.00 36.82 34.80 2gum h ILE 550 CO -0.01 0.34 0.16 0.00 -0.68 0.00 0.00 178.15 177.96 2gum h ALA 551 N 0.96 0.62 -0.97 1.87 0.00 -0.65 -1.09 119.26 119.99 2gum h ALA 551 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2gum h ALA 551 Cb 0.43 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2gum h ALA 551 CO 0.01 0.26 0.63 0.77 0.00 0.00 0.00 179.25 180.92 2gum h SER 552 N 0.62 1.05 -0.12 0.00 0.02 -0.32 0.79 113.55 115.60 2gum h SER 552 Ca 0.15 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2gum h SER 552 Cb 0.25 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2gum h SER 552 CO -0.01 0.72 0.03 0.58 -1.14 0.00 0.00 176.83 177.01 2gum h VAL 553 N 1.22 1.20 -0.17 2.27 2.07 -1.10 -1.69 116.25 120.04 2gum h VAL 553 Ca 0.39 -0.62 -0.20 0.00 0.82 0.00 0.00 66.70 67.08 2gum h VAL 553 Cb 0.01 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2gum h VAL 553 CO -0.13 0.18 -0.70 0.74 0.02 0.00 0.00 177.57 177.69 2gum h THR 554 N -0.01 1.30 -0.03 2.57 2.02 -0.58 -3.23 112.91 114.95 2gum h THR 554 Ca 0.04 -1.94 -0.15 0.00 0.77 0.00 0.00 66.41 65.13 2gum h THR 554 Cb 0.26 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2gum h THR 554 CO 0.00 0.61 -0.67 0.58 0.37 0.00 0.00 175.52 176.41 2gum h VAL 555 N 0.50 1.44 0.00 3.16 2.07 0.52 -3.48 116.25 120.47 2gum h VAL 555 Ca -0.03 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2gum h VAL 555 Cb 1.30 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2gum h VAL 555 CO 0.14 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2gum n GLY 556 N 0.40 0.65 3.41 2.17 0.00 -0.66 -5.07 105.19 106.08 2gum n GLY 556 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.89 1.23 -0.01 1.61 1.70 -1.07 -5.02 118.95 116.49 2gum s ARG 557 Ca 0.00 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 2gum s ARG 557 Cb 0.00 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.82 2gum s ARG 557 CO 0.00 -0.51 1.85 1.03 -1.08 0.00 0.00 175.30 176.59 2gum s ARG 558 N -3.81 4.13 0.26 3.89 1.81 -1.26 -4.31 118.95 119.65 2gum s ARG 558 Ca 0.04 2.42 0.01 0.00 -1.72 0.00 0.00 55.73 56.49 2gum s ARG 558 Cb 0.00 -4.10 -0.04 0.00 -0.45 0.00 0.00 34.95 30.36 2gum s ARG 558 CO -0.09 -0.95 0.13 0.14 -0.68 0.00 0.00 175.30 173.85 2gum s VAL 559 N 4.41 0.32 0.02 3.52 -7.23 -1.26 -2.94 120.40 117.25 2gum s VAL 559 Ca 0.83 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2gum s VAL 559 Cb -0.39 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2gum s VAL 559 CO 0.37 0.00 0.02 -0.55 -0.31 0.00 0.00 175.10 174.63 2gum s SER 560 N -3.29 5.25 0.11 4.85 0.15 0.26 -4.70 113.70 116.32 2gum s SER 560 Ca 0.38 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.87 2gum s SER 560 Cb 0.07 -1.38 0.03 0.00 -1.71 0.00 0.00 66.02 63.02 2gum s SER 560 CO 0.15 0.25 0.37 0.00 1.20 0.00 0.00 173.24 175.21 2gum s ALA 561 N -1.17 -0.85 -0.16 5.45 0.00 -1.26 -1.61 121.76 122.15 2gum s ALA 561 Ca 0.22 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2gum s ALA 561 Cb -0.12 0.60 0.10 0.00 0.00 0.00 0.00 23.12 23.70 2gum s ALA 561 CO 0.13 -0.59 0.85 -0.98 0.00 0.00 0.00 175.76 175.18 2gum s ARG 562 N -3.56 0.77 0.01 0.00 1.70 -0.98 -4.37 118.95 112.52 2gum s ARG 562 Ca 0.02 0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 55.38 2gum s ARG 562 Cb 0.02 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2gum s ARG 562 CO -0.10 -0.20 1.10 -1.64 -1.08 0.00 0.00 175.30 173.39 2gum s MET 563 N -0.64 4.47 -0.75 3.89 -1.94 -1.26 -1.36 119.30 121.71 2gum s MET 563 Ca -0.04 1.59 0.03 0.00 -1.71 0.00 0.00 55.69 55.57 2gum s MET 563 Cb -0.02 -3.44 0.33 0.00 2.01 0.00 0.00 34.83 33.72 2gum s MET 563 CO 0.03 -0.22 1.29 1.28 -0.01 0.00 0.00 175.02 177.39 2gum n LEU 564 N 4.21 5.60 0.00 -0.03 4.77 -0.77 -4.92 117.00 125.86 2gum n LEU 564 Ca 0.08 -5.57 0.00 0.00 -0.03 0.00 0.00 56.01 50.49 2gum n LEU 564 Cb 0.48 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2gum n LEU 564 CO 0.54 2.24 0.00 0.61 -1.33 0.00 0.00 177.39 179.45 2gum n GLY 565 N -0.18 0.92 0.30 -0.72 0.00 -1.26 -4.08 105.19 100.17 2gum n GLY 565 Ca 0.37 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 1.84 -4.68 1.61 8.00 -1.26 -4.99 116.55 117.07 2gum n ASP 566 Ca 0.00 -1.48 -0.29 0.00 0.71 0.00 0.00 54.79 53.73 2gum n ASP 566 Cb 0.00 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.68 1.82 -0.11 2.53 -7.23 -1.26 -4.95 120.40 110.52 2gum s VAL 567 Ca 0.09 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2gum s VAL 567 Cb 0.06 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2gum s VAL 567 CO 0.09 0.00 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.38 2gum s MET 568 N -3.80 2.42 0.08 4.82 1.75 -0.29 -1.85 119.30 122.43 2gum s MET 568 Ca 0.28 -0.64 -0.20 0.00 -1.25 0.00 0.00 55.69 53.88 2gum s MET 568 Cb 0.07 -2.00 -0.07 0.00 2.84 0.00 0.00 34.83 35.67 2gum s MET 568 CO 0.15 -0.02 0.60 0.00 -0.65 0.00 0.00 175.02 175.11 2gum s ALA 569 N 0.85 3.56 0.08 4.11 0.00 -0.46 0.47 121.76 130.36 2gum s ALA 569 Ca -0.09 0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.98 2gum s ALA 569 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2gum s ALA 569 CO 0.00 0.36 -0.07 0.14 0.00 0.00 0.00 175.76 176.19 2gum s VAL 570 N -1.02 0.65 -0.16 0.00 -7.23 0.08 -2.31 120.40 110.41 2gum s VAL 570 Ca 0.30 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 2gum s VAL 570 Cb -0.20 -1.24 0.05 0.00 0.56 0.00 0.00 36.38 35.55 2gum s VAL 570 CO 0.20 -0.66 0.41 -0.94 -0.31 0.00 0.00 175.10 173.80 2gum s SER 571 N -2.42 -0.46 0.77 4.85 1.04 -0.63 -4.10 113.70 112.74 2gum s SER 571 Ca 0.03 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 2gum s SER 571 Cb -0.01 0.80 0.06 0.00 0.10 0.00 0.00 66.02 66.97 2gum s SER 571 CO -0.02 -0.16 1.21 -0.89 0.98 0.00 0.00 173.24 174.36 2gum s THR 572 N 0.71 2.14 0.25 2.02 2.01 -1.26 0.90 115.64 122.42 2gum s THR 572 Ca -0.04 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2gum s THR 572 Cb -0.05 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2gum s THR 572 CO -0.05 -0.04 0.25 0.00 -0.69 0.00 0.00 174.62 174.09 2gum s VAL 574 N -2.10 4.36 0.54 0.00 1.01 0.25 -4.89 120.40 119.57 2gum s VAL 574 Ca 0.34 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2gum s VAL 574 Cb -0.08 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2gum s VAL 574 CO 0.26 0.51 1.21 -2.84 0.00 0.00 0.00 175.10 174.25 2gum s PRO 575 N 0.04 3.26 -0.07 2.72 0.02 -1.26 -1.01 135.00 138.70 2gum s PRO 575 Ca 0.03 1.86 -0.03 0.00 0.02 0.00 0.00 61.00 62.88 2gum s PRO 575 Cb -0.13 -2.13 0.04 0.00 0.02 0.00 0.00 34.50 32.31 2gum s PRO 575 CO 0.02 -0.98 0.12 0.08 -0.33 0.00 0.00 177.00 175.91 2gum s VAL 576 N -1.55 -0.20 0.24 3.83 1.01 0.02 -4.89 120.40 118.87 2gum s VAL 576 Ca 0.72 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 2gum s VAL 576 Cb -0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 36.38 35.68 2gum s VAL 576 CO 0.35 0.14 1.34 0.00 0.00 0.00 0.00 175.10 176.94 2gum n ALA 577 N 5.31 0.74 -0.26 5.51 0.00 -1.26 -2.00 120.51 128.56 2gum n ALA 577 Ca -0.04 0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.95 2gum n ALA 577 Cb 0.50 -2.22 0.40 0.00 0.00 0.00 0.00 19.45 18.13 2gum n ALA 577 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gum h ALA 578 N 3.88 1.89 0.00 0.00 0.00 -1.97 0.13 119.26 123.20 2gum h ALA 578 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2gum h ALA 578 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gum h ALA 578 CO 0.73 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.60 2gum n ASP 579 N -4.55 0.00 -1.52 0.00 8.00 -1.26 -2.14 116.55 115.07 2gum n ASP 579 Ca 0.17 0.44 0.09 0.00 0.71 0.00 0.00 54.79 56.21 2gum n ASP 579 Cb 0.50 -0.47 0.35 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.47 4.64 -4.17 -2.24 3.02 0.45 -4.91 115.26 110.59 2gum n ASN 580 Ca 0.04 -2.42 -0.32 0.00 -0.03 0.00 0.00 54.58 51.85 2gum n ASN 580 Cb 0.16 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 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 -1.79 2.01 -0.12 2.41 1.01 -0.91 -2.32 120.40 120.68 2gum s VAL 581 Ca 0.50 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2gum s VAL 581 Cb 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2gum s VAL 581 CO 0.25 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 175.04 2gum s ILE 582 N 0.72 2.11 -0.20 2.22 1.01 0.11 -4.98 121.20 122.19 2gum s ILE 582 Ca -0.10 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 2gum s ILE 582 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2gum s ILE 582 CO 0.01 0.55 0.27 -0.69 0.00 0.00 0.00 174.94 175.08 2gum s VAL 583 N 0.61 5.30 0.54 2.92 1.01 -1.26 -1.25 120.40 128.27 2gum s VAL 583 Ca -0.12 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 2gum s VAL 583 Cb -0.17 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2gum s VAL 583 CO 0.03 0.33 1.03 -1.10 0.00 0.00 0.00 175.10 175.39 2gum s GLN 584 N 0.94 3.64 0.31 2.72 -1.52 -0.79 -4.98 119.66 119.97 2gum s GLN 584 Ca 0.14 1.15 0.07 0.00 -1.95 0.00 0.00 55.36 54.77 2gum s GLN 584 Cb -0.14 -2.08 0.52 0.00 -0.22 0.00 0.00 33.01 31.09 2gum s GLN 584 CO 0.05 -0.55 1.75 -0.91 -0.25 0.00 0.00 175.29 175.38 2gum h ASN 585 N 0.85 0.26 -3.72 5.90 2.35 -1.95 -3.42 115.58 115.85 2gum h ASN 585 Ca -0.47 -0.09 -0.68 0.00 -0.55 0.00 0.00 56.30 54.50 2gum h ASN 585 Cb 1.21 -0.07 -0.19 0.00 0.05 0.00 0.00 38.32 39.31 2gum h ASN 585 CO 0.59 0.59 -0.71 -0.55 -1.65 0.00 0.00 177.43 175.70 2gum s SER 586 N -6.87 4.50 0.00 5.81 0.15 -1.26 -0.39 113.70 115.64 2gum s SER 586 Ca -0.05 -0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.57 2gum s SER 586 Cb 0.14 -1.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2gum s SER 586 CO 0.76 0.32 0.66 0.23 1.20 0.00 0.00 173.24 176.42 2gum n MET 587 N 1.95 1.12 -2.51 5.44 2.81 -0.81 -4.53 117.12 120.59 2gum n MET 587 Ca -0.17 -0.77 -0.26 0.00 -1.81 0.00 0.00 57.70 54.69 2gum n MET 587 Cb 0.53 -1.09 0.02 0.00 -0.71 0.00 0.00 33.22 31.97 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 -0.91 3.04 -0.34 0.03 0.52 -1.26 0.88 118.95 120.91 2gum s ARG 588 Ca 0.08 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2gum s ARG 588 Cb 0.07 -2.33 0.10 0.00 0.52 0.00 0.00 34.95 33.31 2gum s ARG 588 CO 0.15 -0.57 0.09 0.42 0.02 0.00 0.00 175.30 175.41 2gum s ILE 589 N -2.89 1.68 0.40 1.52 1.01 -1.07 -4.79 121.20 117.06 2gum s ILE 589 Ca 0.52 -2.03 0.08 0.00 0.00 0.00 0.00 60.65 59.22 2gum s ILE 589 Cb -0.10 -2.24 0.21 0.00 0.01 0.00 0.00 42.46 40.33 2gum s ILE 589 CO 0.44 -0.66 1.98 0.77 0.00 0.00 0.00 174.94 177.48 2gum h SER 590 N 7.69 0.34 -0.72 3.58 4.64 -1.98 -2.74 113.55 124.37 2gum h SER 590 Ca -0.08 -0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2gum h SER 590 Cb 1.01 -0.09 -0.13 0.00 -0.31 0.00 0.00 62.40 62.88 2gum h SER 590 CO 0.51 0.36 -0.36 0.28 -0.87 0.00 0.00 176.83 176.74 2gum h SER 591 N 0.37 -1.29 -3.48 4.97 0.02 -1.95 -3.31 113.55 108.88 2gum h SER 591 Ca 0.09 0.26 -0.62 0.00 -0.84 0.00 0.00 61.79 60.67 2gum h SER 591 Cb 0.17 0.65 -0.40 0.00 0.14 0.00 0.00 62.40 62.95 2gum h SER 591 CO -0.00 -0.30 -0.73 0.00 -1.14 0.00 0.00 176.83 174.65 2gum s ARG 592 N -5.96 1.16 0.44 3.45 1.70 -1.03 -5.11 118.95 113.59 2gum s ARG 592 Ca -0.14 -1.58 -0.23 0.00 -0.47 0.00 0.00 55.73 53.32 2gum s ARG 592 Cb 0.17 -2.64 -0.11 0.00 -0.57 0.00 0.00 34.95 31.80 2gum s ARG 592 CO 0.69 -0.98 0.76 -2.30 -1.08 0.00 0.00 175.30 172.40 2gum n PRO 593 N 4.41 0.90 0.00 3.89 -0.02 -1.25 -2.02 135.00 140.92 2gum n PRO 593 Ca 0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2gum n PRO 593 Cb 0.41 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.51 2.96 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.88 2gum n GLY 594 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.51 3.61 0.14 4.61 0.00 -0.86 0.53 121.76 128.29 2gum s ALA 595 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.50 2gum s ALA 595 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2gum s ALA 595 CO 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 175.76 175.69 2gum s TYR 597 N -2.12 3.15 -0.10 0.00 1.51 0.25 -0.63 117.35 119.42 2gum s TYR 597 Ca 0.12 1.60 0.15 0.00 -1.01 0.00 0.00 57.07 57.92 2gum s TYR 597 Cb -0.05 -2.96 -0.09 0.00 -0.11 0.00 0.00 41.96 38.74 2gum s TYR 597 CO 0.05 -0.48 1.05 0.66 -1.11 0.00 0.00 175.55 175.71 2gum h SER 598 N 1.76 0.00 -3.44 2.29 4.64 -1.49 -3.44 113.55 113.87 2gum h SER 598 Ca -0.49 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.42 2gum h SER 598 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 2gum h SER 598 CO 0.60 0.65 -0.73 -0.13 -0.87 0.00 0.00 176.83 176.35 2gum s ARG 599 N -2.88 1.25 0.44 4.77 0.52 -1.26 -5.05 118.95 116.74 2gum s ARG 599 Ca -0.01 -1.55 -0.26 0.00 -0.52 0.00 0.00 55.73 53.39 2gum s ARG 599 Cb 0.08 -0.96 -0.09 0.00 0.52 0.00 0.00 34.95 34.50 2gum s ARG 599 CO 0.79 0.15 1.44 -2.14 0.02 0.00 0.00 175.30 175.56 2gum s PRO 600 N -3.68 3.74 0.35 3.54 0.02 -1.26 -4.78 135.00 132.93 2gum s PRO 600 Ca 0.21 2.45 -0.14 0.00 0.02 0.00 0.00 61.00 63.54 2gum s PRO 600 Cb 0.00 -2.70 -0.08 0.00 0.02 0.00 0.00 34.50 31.74 2gum s PRO 600 CO 0.05 -0.79 0.76 -0.51 -0.33 0.00 0.00 177.00 176.18 2gum s LEU 601 N -2.63 3.98 0.23 -5.54 1.43 -1.26 0.06 118.68 114.95 2gum s LEU 601 Ca 0.60 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2gum s LEU 601 Cb -0.44 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2gum s LEU 601 CO 0.58 -0.27 0.21 0.68 0.23 0.00 0.00 176.35 177.77 2gum s VAL 602 N -2.11 0.00 -0.08 -1.59 -7.23 -0.78 -1.89 120.40 106.72 2gum s VAL 602 Ca 0.54 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.74 2gum s VAL 602 Cb -0.10 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.40 2gum s VAL 602 CO 0.21 0.00 0.21 -0.44 -0.31 0.00 0.00 175.10 174.77 2gum s SER 603 N -3.17 -0.21 0.33 4.85 0.01 -0.38 -1.42 113.70 113.72 2gum s SER 603 Ca 0.37 0.43 -0.08 0.00 1.31 0.00 0.00 55.95 57.98 2gum s SER 603 Cb 0.05 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2gum s SER 603 CO 0.14 -0.12 0.57 2.22 0.41 0.00 0.00 173.24 176.46 2gum n PHE 604 N 3.67 -1.80 -3.75 2.43 1.16 0.14 0.06 117.46 119.36 2gum n PHE 604 Ca -0.20 -1.87 -0.13 0.00 -1.87 0.00 0.00 57.45 53.38 2gum n PHE 604 Cb 0.55 0.67 -0.10 0.00 -1.61 0.00 0.00 39.48 38.98 2gum n PHE 604 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2gum s ARG 605 N -2.38 0.44 0.23 3.97 1.70 -0.98 0.22 118.95 122.15 2gum s ARG 605 Ca 0.20 0.43 -0.00 0.00 -0.47 0.00 0.00 55.73 55.88 2gum s ARG 605 Cb -0.03 0.21 0.26 0.00 -0.57 0.00 0.00 34.95 34.82 2gum s ARG 605 CO 0.14 -0.06 1.62 1.88 -1.08 0.00 0.00 175.30 177.80 2gum h TYR 606 N 5.41 0.62 -3.92 5.89 -1.99 -1.91 -3.44 116.97 117.63 2gum h TYR 606 Ca -0.27 -0.17 -0.69 0.00 2.00 0.00 0.00 58.73 59.60 2gum h TYR 606 Cb 1.18 -0.14 -0.22 0.00 2.00 0.00 0.00 36.73 39.56 2gum h TYR 606 CO 0.41 0.84 -0.84 -1.21 -0.00 0.00 0.00 178.16 177.35 2gum s GLU 607 N -4.26 1.64 0.57 4.88 0.41 -1.26 -4.77 118.70 115.90 2gum s GLU 607 Ca -0.07 -1.23 0.32 0.00 -0.41 0.00 0.00 54.97 53.58 2gum s GLU 607 Cb 0.13 -2.01 1.74 0.00 -1.78 0.00 0.00 34.13 32.21 2gum s GLU 607 CO 0.82 0.48 1.97 -0.44 -0.49 0.00 0.00 175.26 177.59 2gum h ASP 608 N 4.03 0.00 0.00 -0.19 5.19 -2.00 -0.45 116.42 123.00 2gum h ASP 608 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2gum h ASP 608 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2gum h ASP 608 CO 0.43 0.00 -1.13 0.00 -3.12 0.00 0.00 179.24 175.42 2gum n GLN 609 N -2.74 1.50 -0.42 3.56 6.02 -1.26 -5.05 117.38 119.00 2gum n GLN 609 Ca -0.02 -0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.62 2gum n GLN 609 Cb 0.20 -1.16 0.27 0.00 1.02 0.00 0.00 30.24 30.57 2gum n GLN 609 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gum n GLY 610 N 1.65 -2.53 3.77 1.08 0.00 -0.18 -5.01 105.19 103.97 2gum n GLY 610 Ca -0.01 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2gum n GLY 610 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gum s PRO 611 N -4.47 2.43 -0.21 1.61 0.02 -1.26 -4.89 135.00 128.23 2gum s PRO 611 Ca 0.68 1.23 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 2gum s PRO 611 Cb -0.23 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 2gum s PRO 611 CO 0.64 -1.52 0.63 -1.17 -0.33 0.00 0.00 177.00 175.26 2gum s LEU 612 N -5.61 4.13 -0.12 -5.54 2.96 -1.26 -4.28 118.68 108.96 2gum s LEU 612 Ca 0.63 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2gum s LEU 612 Cb -0.18 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 2gum s LEU 612 CO 0.52 -0.29 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.54 2gum s VAL 613 N 2.01 4.04 -0.05 1.68 1.01 0.59 -4.86 120.40 124.82 2gum s VAL 613 Ca 0.28 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2gum s VAL 613 Cb -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2gum s VAL 613 CO 0.10 0.55 0.22 -1.83 0.00 0.00 0.00 175.10 174.14 2gum s GLU 614 N -0.26 3.55 0.00 2.72 -1.05 -1.26 0.24 118.70 122.64 2gum s GLU 614 Ca 0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2gum s GLU 614 Cb -0.13 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 2gum s GLU 614 CO 0.02 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.35 2gum n GLY 615 N 1.53 3.60 2.99 -3.83 0.00 -0.50 -4.79 105.19 104.20 2gum n GLY 615 Ca -0.15 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 2gum n GLY 615 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gum s GLN 616 N 1.71 0.36 -0.18 1.61 0.74 0.80 -1.86 119.66 122.83 2gum s GLN 616 Ca 0.00 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.55 2gum s GLN 616 Cb 0.00 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.05 2gum s GLN 616 CO 0.00 -0.00 1.03 -1.17 -0.55 0.00 0.00 175.29 174.59 2gum s LEU 617 N -1.27 4.16 0.00 3.68 2.96 0.11 0.19 118.68 128.50 2gum s LEU 617 Ca -0.11 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2gum s LEU 617 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2gum s LEU 617 CO -0.00 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 2gum n GLY 618 N 3.23 1.20 3.90 7.98 0.00 0.20 -4.53 105.19 117.18 2gum n GLY 618 Ca 0.11 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 0.38 3.56 -1.47 1.61 2.02 -1.26 -4.16 118.70 119.38 2gum s GLU 619 Ca 0.00 0.30 -0.02 0.00 0.02 0.00 0.00 54.97 55.27 2gum s GLU 619 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2gum s GLU 619 CO 0.00 -0.25 0.22 -1.71 0.02 0.00 0.00 175.26 173.54 2gum n ASN 620 N -2.28 0.13 -2.03 -0.19 4.05 -1.26 -1.57 115.26 112.10 2gum n ASN 620 Ca 0.01 -1.16 -0.21 0.00 0.45 0.00 0.00 54.58 53.68 2gum n ASN 620 Cb 0.55 -2.27 -0.05 0.00 1.23 0.00 0.00 39.78 39.25 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 -2.90 -5.74 -4.76 1.20 3.02 -1.26 -4.86 115.26 99.95 2gum n ASN 621 Ca -0.31 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.07 2gum n ASN 621 Cb 0.69 -4.90 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 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 -4.46 4.68 -0.34 3.52 2.12 -0.61 -2.35 118.70 121.26 2gum s GLU 622 Ca 0.00 1.29 -0.10 0.00 0.36 0.00 0.00 54.97 56.53 2gum s GLU 622 Cb 0.00 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.12 2gum s GLU 622 CO 0.00 0.50 0.17 -0.51 -0.54 0.00 0.00 175.26 174.88 2gum s LEU 623 N -0.97 4.38 -0.11 2.70 1.43 0.12 0.61 118.68 126.85 2gum s LEU 623 Ca 0.39 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 2gum s LEU 623 Cb -0.24 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2gum s LEU 623 CO 0.28 -0.29 0.68 -0.13 0.23 0.00 0.00 176.35 177.12 2gum s ARG 624 N 1.56 4.37 0.08 1.70 0.52 0.13 -4.37 118.95 122.94 2gum s ARG 624 Ca 0.03 0.80 0.18 0.00 -0.52 0.00 0.00 55.73 56.22 2gum s ARG 624 Cb -0.18 -3.48 0.75 0.00 0.52 0.00 0.00 34.95 32.55 2gum s ARG 624 CO 0.06 -0.02 1.56 1.28 0.02 0.00 0.00 175.30 178.19 2gum n LEU 625 N 4.16 0.22 -4.44 2.53 4.77 -1.26 -0.14 117.00 122.83 2gum n LEU 625 Ca -0.01 0.55 -0.31 0.00 -0.03 0.00 0.00 56.01 56.21 2gum n LEU 625 Cb 0.51 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 2gum n LEU 625 CO 0.46 -0.34 -0.50 -0.89 -1.33 0.00 0.00 177.39 174.80 2gum s THR 626 N -3.10 2.71 -0.97 -5.08 2.01 -1.26 -4.71 115.64 105.25 2gum s THR 626 Ca 0.06 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 2gum s THR 626 Cb 0.10 -2.10 0.30 0.00 0.01 0.00 0.00 72.50 70.81 2gum s THR 626 CO 0.32 0.41 1.38 0.54 -0.69 0.00 0.00 174.62 176.58 2gum n ARG 627 N 1.80 4.22 -0.09 4.92 1.74 -1.26 -4.10 116.66 123.89 2gum n ARG 627 Ca -0.16 -4.61 -0.12 0.00 -0.77 0.00 0.00 57.85 52.18 2gum n ARG 627 Cb 0.52 -2.45 -0.10 0.00 -1.02 0.00 0.00 32.46 29.42 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 0.94 2.15 -4.51 0.55 3.85 -1.26 -4.93 116.55 113.34 2gum n ASP 628 Ca 0.30 -0.08 -0.40 0.00 -0.71 0.00 0.00 54.79 53.90 2gum n ASP 628 Cb 0.34 0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.01 2gum n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gum n ALA 629 N -2.93 0.47 -2.36 2.12 0.00 -1.26 -4.86 120.51 111.68 2gum n ALA 629 Ca -0.32 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 52.48 2gum n ALA 629 Cb 0.90 -2.56 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 2gum n ALA 629 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gum s ILE 630 N 9.84 0.73 0.20 0.00 1.01 -1.26 -1.41 121.20 130.31 2gum s ILE 630 Ca 1.23 -2.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 2gum s ILE 630 Cb -0.92 -2.68 0.07 0.00 0.01 0.00 0.00 42.46 38.93 2gum s ILE 630 CO 0.43 0.00 0.96 -1.83 0.00 0.00 0.00 174.94 174.50 2gum s GLU 631 N -3.99 1.38 -0.13 2.79 -1.05 0.20 -4.61 118.70 113.30 2gum s GLU 631 Ca 0.37 -0.83 -0.27 0.00 -0.15 0.00 0.00 54.97 54.09 2gum s GLU 631 Cb 0.08 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2gum s GLU 631 CO 0.14 -0.64 0.91 -2.14 0.95 0.00 0.00 175.26 174.49 2gum s PRO 632 N -2.80 4.37 0.22 -4.83 0.02 -1.26 -0.91 135.00 129.81 2gum s PRO 632 Ca 0.16 1.20 -0.31 0.00 0.02 0.00 0.00 61.00 62.07 2gum s PRO 632 Cb -0.02 -3.55 -0.14 0.00 0.02 0.00 0.00 34.50 30.80 2gum s PRO 632 CO 0.05 -0.30 1.24 0.00 -0.33 0.00 0.00 177.00 177.66 2gum s THR 634 N -0.29 1.54 0.34 0.00 2.01 -1.26 -4.98 115.64 113.00 2gum s THR 634 Ca 0.69 -2.10 -0.14 0.00 0.31 0.00 0.00 61.69 60.45 2gum s THR 634 Cb -0.75 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 2gum s THR 634 CO 0.53 -0.26 0.74 -0.69 -0.69 0.00 0.00 174.62 174.25 2gum s VAL 635 N -3.07 4.70 -1.12 3.82 1.01 -1.26 -4.25 120.40 120.23 2gum s VAL 635 Ca 0.30 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 2gum s VAL 635 Cb 0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2gum s VAL 635 CO 0.12 -0.25 0.89 0.61 0.00 0.00 0.00 175.10 176.47 2gum n GLY 636 N -0.55 -0.89 3.61 4.51 0.00 -1.26 -4.93 105.19 105.68 2gum n GLY 636 Ca 0.03 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 2gum n GLY 636 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gum s HIS 637 N -3.42 3.13 -0.08 1.61 2.46 -1.26 -4.95 115.29 112.78 2gum s HIS 637 Ca 0.33 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.65 2gum s HIS 637 Cb -0.06 -3.48 0.02 0.00 -0.13 0.00 0.00 32.58 28.93 2gum s HIS 637 CO 0.76 -0.72 -0.06 1.03 -2.47 0.00 0.00 174.74 173.28 2gum s ARG 638 N 3.27 1.20 -0.03 2.88 0.52 -1.26 -0.29 118.95 125.24 2gum s ARG 638 Ca 0.36 -0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 2gum s ARG 638 Cb -0.13 -1.25 0.01 0.00 0.52 0.00 0.00 34.95 34.10 2gum s ARG 638 CO 0.16 -0.18 0.17 1.03 0.02 0.00 0.00 175.30 176.50 2gum s ARG 639 N 1.40 0.38 -0.16 3.54 1.81 -0.41 -5.01 118.95 120.49 2gum s ARG 639 Ca -0.02 -0.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.89 2gum s ARG 639 Cb -0.13 0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.55 2gum s ARG 639 CO -0.04 -0.08 -0.16 0.71 -0.68 0.00 0.00 175.30 175.05 2gum s TYR 640 N -0.74 2.41 -0.05 -0.53 1.51 -1.26 -0.98 117.35 117.71 2gum s TYR 640 Ca -0.08 -1.41 0.05 0.00 -1.01 0.00 0.00 57.07 54.62 2gum s TYR 640 Cb -0.05 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2gum s TYR 640 CO 0.01 -0.73 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.48 2gum s PHE 641 N 1.41 2.59 0.21 2.71 0.40 -0.73 -4.95 117.98 119.62 2gum s PHE 641 Ca 0.04 -0.37 -0.32 0.00 -0.60 0.00 0.00 56.93 55.69 2gum s PHE 641 Cb -0.13 -1.62 -0.12 0.00 0.51 0.00 0.00 43.02 41.66 2gum s PHE 641 CO -0.11 0.02 1.71 0.99 0.70 0.00 0.00 175.22 178.53 2gum s THR 642 N -0.48 2.05 -0.26 0.64 2.01 -1.26 -1.07 115.64 117.27 2gum s THR 642 Ca 0.06 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 2gum s THR 642 Cb -0.12 -3.03 0.14 0.00 0.01 0.00 0.00 72.50 69.51 2gum s THR 642 CO 0.01 0.00 0.40 0.12 -0.69 0.00 0.00 174.62 174.46 2gum s PHE 643 N 1.09 -0.91 0.00 4.92 5.36 0.07 -4.51 117.98 123.99 2gum s PHE 643 Ca 0.74 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 2gum s PHE 643 Cb -0.49 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 2gum s PHE 643 CO 0.33 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 2gum n GLY 644 N 5.37 2.89 1.01 13.12 0.00 -1.26 -2.03 105.19 124.29 2gum n GLY 644 Ca -0.03 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 2.39 0.00 -0.02 0.00 -1.26 -4.63 105.19 101.67 2gum n GLY 645 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.14 5.33 3.19 -0.02 0.00 -0.86 -4.40 105.19 109.57 2gum n GLY 646 Ca 0.18 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 1.35 1.19 -0.19 1.61 1.51 -0.75 -0.75 117.35 121.32 2gum s TYR 647 Ca 0.00 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.44 2gum s TYR 647 Cb 0.00 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 2gum s TYR 647 CO 0.00 0.06 -0.04 0.54 -1.11 0.00 0.00 175.55 175.00 2gum s VAL 648 N -2.12 3.66 -0.13 0.71 0.11 -0.23 -0.92 120.40 121.47 2gum s VAL 648 Ca 0.05 -0.42 -0.08 0.00 -2.93 0.00 0.00 61.98 58.60 2gum s VAL 648 Cb -0.05 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.12 2gum s VAL 648 CO 0.01 0.45 0.16 -0.47 -3.33 0.00 0.00 175.10 171.93 2gum s TYR 649 N 0.91 3.56 0.07 1.54 5.04 0.14 -1.78 117.35 126.83 2gum s TYR 649 Ca -0.00 0.51 0.08 0.00 -2.44 0.00 0.00 57.07 55.21 2gum s TYR 649 Cb -0.15 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 2gum s TYR 649 CO 0.01 0.60 -0.20 -0.06 -1.34 0.00 0.00 175.55 174.56 2gum s PHE 650 N -0.63 1.75 -0.09 4.97 0.40 -0.16 -1.24 117.98 122.98 2gum s PHE 650 Ca 0.14 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.02 2gum s PHE 650 Cb -0.12 -1.00 0.04 0.00 0.51 0.00 0.00 43.02 42.46 2gum s PHE 650 CO 0.03 0.15 0.22 -2.00 0.70 0.00 0.00 175.22 174.31 2gum s GLU 651 N -1.57 0.18 -1.46 0.44 2.12 -0.86 -1.29 118.70 116.26 2gum s GLU 651 Ca 0.06 0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.77 2gum s GLU 651 Cb -0.09 -0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.22 2gum s GLU 651 CO 0.03 -0.15 0.79 0.39 -0.54 0.00 0.00 175.26 175.78 2gum n GLU 652 N 4.11 -5.31 -3.07 4.30 -0.58 0.60 -1.94 120.64 118.74 2gum n GLU 652 Ca -0.24 0.72 -0.22 0.00 -0.42 0.00 0.00 57.16 56.99 2gum n GLU 652 Cb 0.53 -5.59 0.04 0.00 -0.57 0.00 0.00 31.44 25.85 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 -4.53 -2.03 -4.05 -0.32 4.02 -1.26 -4.97 117.16 104.03 2gum n TYR 653 Ca -0.03 0.58 -0.15 0.00 -0.01 0.00 0.00 57.90 58.29 2gum n TYR 653 Cb 0.57 -4.45 -0.15 0.00 -0.02 0.00 0.00 39.34 35.29 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 0.30 0.31 -0.72 0.00 -0.82 -1.93 121.76 115.72 2gum s ALA 654 Ca 0.33 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2gum s ALA 654 Cb -0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.75 2gum s ALA 654 CO 0.41 0.05 1.48 -0.47 0.00 0.00 0.00 175.76 177.23 2gum s TYR 655 N 0.08 2.83 0.01 0.00 5.04 0.48 -2.03 117.35 123.76 2gum s TYR 655 Ca -0.00 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 55.64 2gum s TYR 655 Cb -0.03 -3.93 -0.02 0.00 0.35 0.00 0.00 41.96 38.34 2gum s TYR 655 CO -0.00 -2.90 -0.07 0.45 -1.34 0.00 0.00 175.55 171.68 2gum n SER 656 N 1.55 1.03 -3.59 4.32 2.88 -0.38 -4.90 113.62 114.54 2gum n SER 656 Ca 0.05 0.15 0.03 0.00 -1.33 0.00 0.00 58.87 57.76 2gum n SER 656 Cb 0.39 -0.35 -0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2gum n SER 656 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2gum s HIS 657 N -2.16 -0.03 0.37 0.66 -3.43 -1.16 -5.01 115.29 104.52 2gum s HIS 657 Ca -0.06 -0.04 0.07 0.00 -0.80 0.00 0.00 55.06 54.23 2gum s HIS 657 Cb 0.01 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 2gum s HIS 657 CO 0.09 -0.17 0.42 -0.65 -2.00 0.00 0.00 174.74 172.44 2gum s GLN 658 N -2.26 2.84 0.22 -0.38 -0.21 -1.26 0.25 119.66 118.87 2gum s GLN 658 Ca 0.14 -1.23 -0.22 0.00 0.02 0.00 0.00 55.36 54.08 2gum s GLN 658 Cb 0.06 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.48 2gum s GLN 658 CO -0.05 -0.04 0.65 -0.48 -2.12 0.00 0.00 175.29 173.25 2gum s LEU 659 N -4.15 -0.36 0.44 2.90 2.34 -0.10 -4.91 118.68 114.84 2gum s LEU 659 Ca 0.46 -0.33 -0.05 0.00 0.06 0.00 0.00 54.13 54.28 2gum s LEU 659 Cb -0.07 2.61 -0.04 0.00 -0.56 0.00 0.00 46.19 48.13 2gum s LEU 659 CO 0.30 -1.15 0.73 -0.55 -1.06 0.00 0.00 176.35 174.61 2gum s SER 660 N -2.84 6.31 0.61 1.48 0.15 -1.26 -1.81 113.70 116.33 2gum s SER 660 Ca 0.06 0.86 0.39 0.00 0.70 0.00 0.00 55.95 57.96 2gum s SER 660 Cb -0.03 -2.21 1.90 0.00 -1.71 0.00 0.00 66.02 63.96 2gum s SER 660 CO -0.03 -0.49 2.18 0.03 1.20 0.00 0.00 173.24 176.13 2gum h ARG 661 N 0.50 0.00 0.00 5.44 3.08 -1.92 -2.28 114.38 119.21 2gum h ARG 661 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2gum h ARG 661 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2gum h ARG 661 CO 0.62 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 2gum h ALA 662 N 2.00 1.00 -0.00 0.04 0.00 -1.95 -0.82 119.26 119.53 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2gum h ALA 662 CO 0.00 0.00 -0.15 -0.25 0.00 0.00 0.00 179.25 178.85 2gum n ASP 663 N -2.82 0.19 -4.53 0.00 8.00 -0.86 -4.77 116.55 111.76 2gum n ASP 663 Ca -0.02 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 2gum n ASP 663 Cb 0.09 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.91 3.53 0.30 0.53 -1.09 -0.31 -5.09 121.20 116.16 2gum s ILE 664 Ca 0.16 -0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 2gum s ILE 664 Cb 0.19 -2.45 -0.09 0.00 -1.58 0.00 0.00 42.46 38.53 2gum s ILE 664 CO 0.56 0.58 1.09 0.42 -1.23 0.00 0.00 174.94 176.36 2gum s THR 665 N -0.58 3.53 -0.14 2.92 -4.23 -1.26 -4.99 115.64 110.88 2gum s THR 665 Ca 0.09 1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 62.00 2gum s THR 665 Cb -0.12 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 2gum s THR 665 CO 0.02 0.31 0.12 -0.89 -0.54 0.00 0.00 174.62 173.63 2gum s THR 666 N -1.24 5.31 0.07 3.99 2.01 -1.26 -5.10 115.64 119.42 2gum s THR 666 Ca 0.46 0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.69 2gum s THR 666 Cb -0.30 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2gum s THR 666 CO 0.39 0.55 -0.22 0.68 -0.69 0.00 0.00 174.62 175.34 2gum s VAL 667 N -0.51 1.75 0.07 3.82 -7.23 -1.26 -5.15 120.40 111.89 2gum s VAL 667 Ca 0.12 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2gum s VAL 667 Cb -0.12 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2gum s VAL 667 CO 0.02 0.11 0.01 -0.55 -0.31 0.00 0.00 175.10 174.38 2gum s SER 668 N -1.50 5.13 0.00 4.85 0.15 -1.26 -4.98 113.70 116.09 2gum s SER 668 Ca 0.08 -0.11 0.18 0.00 0.70 0.00 0.00 55.95 56.79 2gum s SER 668 Cb -0.09 -1.28 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 2gum s SER 668 CO 0.03 0.20 0.94 0.35 1.20 0.00 0.00 173.24 175.95 2gum n THR 669 N 0.75 0.00 -3.04 6.45 -2.24 -1.26 -4.97 114.28 109.97 2gum n THR 669 Ca -0.11 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 2gum n THR 669 Cb 0.52 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 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 -1.95 3.71 -0.20 4.78 0.08 -1.26 -5.06 117.98 118.08 2gum s PHE 670 Ca 0.16 1.49 -0.09 0.00 0.12 0.00 0.00 56.93 58.60 2gum s PHE 670 Cb 0.14 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2gum s PHE 670 CO 0.41 0.36 0.10 0.42 -0.10 0.00 0.00 175.22 176.41 2gum s ILE 671 N -1.45 5.09 0.64 0.64 1.09 -1.26 -5.08 121.20 120.87 2gum s ILE 671 Ca 0.42 0.08 -0.15 0.00 -1.10 0.00 0.00 60.65 59.90 2gum s ILE 671 Cb -0.18 -3.32 -0.01 0.00 -1.06 0.00 0.00 42.46 37.88 2gum s ILE 671 CO 0.22 0.43 1.08 -1.81 -0.10 0.00 0.00 174.94 174.76 2gum s ASP 672 N 0.55 5.41 -0.29 3.58 1.01 -1.26 -5.05 116.67 120.63 2gum s ASP 672 Ca 0.06 1.87 0.01 0.00 0.71 0.00 0.00 52.55 55.20 2gum s ASP 672 Cb -0.12 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.45 2gum s ASP 672 CO 0.00 -1.42 0.54 -0.22 0.21 0.00 0.00 175.17 174.29 2gum s LEU 673 N -4.81 -1.30 -0.79 1.23 2.96 -1.26 -5.11 118.68 109.59 2gum s LEU 673 Ca 0.64 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.85 2gum s LEU 673 Cb -0.18 1.86 0.21 0.00 0.50 0.00 0.00 46.19 48.58 2gum s LEU 673 CO 0.41 -0.29 0.71 0.21 -1.32 0.00 0.00 176.35 176.07 2gum s ASN 674 N 2.77 6.51 -0.06 3.68 2.47 -1.26 -5.04 114.94 124.00 2gum s ASN 674 Ca 0.15 -2.71 -0.15 0.00 0.42 0.00 0.00 52.86 50.57 2gum s ASN 674 Cb -0.13 -2.15 -0.05 0.00 -1.45 0.00 0.00 41.25 37.47 2gum s ASN 674 CO -0.23 -0.54 0.40 -0.63 -3.72 0.00 0.00 177.10 172.37 2gum s ILE 675 N 0.14 5.13 0.11 -5.21 -1.09 -1.26 -5.08 121.20 113.95 2gum s ILE 675 Ca 0.18 0.79 0.06 0.00 -2.23 0.00 0.00 60.65 59.45 2gum s ILE 675 Cb -0.12 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2gum s ILE 675 CO -0.08 0.48 -0.15 0.42 -1.23 0.00 0.00 174.94 174.39 2gum s THR 676 N -0.38 1.36 0.52 2.92 -4.23 -1.26 -5.13 115.64 109.44 2gum s THR 676 Ca 0.23 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 2gum s THR 676 Cb -0.15 -1.48 -0.07 0.00 1.34 0.00 0.00 72.50 72.14 2gum s THR 676 CO 0.11 -0.35 1.02 -0.04 -0.54 0.00 0.00 174.62 174.82 2gum s MET 677 N -2.46 3.76 -0.20 3.99 1.00 -1.26 -5.01 119.30 119.13 2gum s MET 677 Ca 0.07 1.16 -0.29 0.00 0.00 0.00 0.00 55.69 56.63 2gum s MET 677 Cb -0.06 -2.10 0.00 0.00 0.00 0.00 0.00 34.83 32.67 2gum s MET 677 CO 0.03 -0.44 1.09 -1.17 0.00 0.00 0.00 175.02 174.53 2gum s LEU 678 N -3.93 4.14 0.63 -0.03 2.96 -1.26 -5.01 118.68 116.18 2gum s LEU 678 Ca 0.63 1.48 -0.11 0.00 -0.22 0.00 0.00 54.13 55.91 2gum s LEU 678 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2gum s LEU 678 CO 0.28 -0.66 1.04 -1.83 -1.32 0.00 0.00 176.35 173.86 2gum s GLU 679 N 3.08 3.48 0.57 1.98 1.03 -1.26 -5.01 118.70 122.57 2gum s GLU 679 Ca 0.47 0.72 -0.21 0.00 0.03 0.00 0.00 54.97 55.98 2gum s GLU 679 Cb -0.17 -2.07 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 2gum s GLU 679 CO 0.10 -0.64 1.27 -0.25 -1.33 0.00 0.00 175.26 174.40 2gum n ASP 680 N -2.79 2.19 -3.83 0.83 10.43 -1.26 -5.03 116.55 117.08 2gum n ASP 680 Ca 0.06 0.92 -0.12 0.00 2.57 0.00 0.00 54.79 58.22 2gum n ASP 680 Cb 0.54 -1.53 -0.12 0.00 1.84 0.00 0.00 41.12 41.85 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 -1.34 -0.12 -0.09 1.24 2.46 -1.26 -5.15 115.29 111.02 2gum s HIS 681 Ca 0.74 0.30 0.02 0.00 0.47 0.00 0.00 55.06 56.59 2gum s HIS 681 Cb -0.42 0.04 -0.02 0.00 -0.13 0.00 0.00 32.58 32.05 2gum s HIS 681 CO 0.47 -0.09 -0.14 -2.00 -2.47 0.00 0.00 174.74 170.52 2gum s GLU 682 N -0.06 2.97 -0.27 2.88 2.12 -1.26 -5.10 118.70 119.98 2gum s GLU 682 Ca -0.01 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 2gum s GLU 682 Cb -0.02 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 2gum s GLU 682 CO 0.00 0.41 0.14 -0.06 -0.54 0.00 0.00 175.26 175.21 2gum s PHE 683 N -0.16 3.16 0.26 5.30 0.40 -1.26 -5.09 117.98 120.59 2gum s PHE 683 Ca -0.00 -0.17 -0.06 0.00 -0.60 0.00 0.00 56.93 56.10 2gum s PHE 683 Cb -0.13 -2.32 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 2gum s PHE 683 CO 0.03 -0.27 0.53 0.14 0.70 0.00 0.00 175.22 176.35 2gum s VAL 684 N 1.69 5.02 0.51 -0.44 -7.23 -1.26 -5.03 120.40 113.66 2gum s VAL 684 Ca 0.07 0.13 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 2gum s VAL 684 Cb -0.16 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 33.01 2gum s VAL 684 CO 0.08 -0.24 1.10 -2.65 -0.31 0.00 0.00 175.10 173.08 2gum n PRO 685 N -0.68 1.35 -3.63 4.82 -0.02 -1.26 -4.99 135.00 130.59 2gum n PRO 685 Ca -0.01 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 2gum n PRO 685 Cb 0.53 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.80 -0.89 0.06 2.45 2.96 -1.26 -5.16 118.68 115.05 2gum s LEU 686 Ca 0.69 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.90 2gum s LEU 686 Cb -0.47 1.79 -0.03 0.00 0.50 0.00 0.00 46.19 47.98 2gum s LEU 686 CO 0.52 -0.23 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.52 2gum s GLU 687 N 2.74 1.21 -0.10 1.98 2.02 -1.26 -5.05 118.70 120.25 2gum s GLU 687 Ca -0.03 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 53.72 2gum s GLU 687 Cb -0.12 -1.35 -0.27 0.00 0.10 0.00 0.00 34.13 32.49 2gum s GLU 687 CO -0.16 0.33 0.86 0.28 0.02 0.00 0.00 175.26 176.60 2gum h VAL 688 N 4.29 1.68 -3.84 2.63 2.07 -2.06 -3.45 116.25 117.56 2gum h VAL 688 Ca -0.43 -2.28 -0.39 0.00 0.82 0.00 0.00 66.70 64.42 2gum h VAL 688 Cb 1.17 3.20 -0.30 0.00 -1.52 0.00 0.00 31.29 33.84 2gum h VAL 688 CO 0.42 0.61 -0.78 -0.31 0.02 0.00 0.00 177.57 177.54 2gum s TYR 689 N -2.50 0.77 0.55 1.57 1.51 -1.26 -5.15 117.35 112.84 2gum s TYR 689 Ca -0.17 -0.17 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 2gum s TYR 689 Cb -0.01 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.28 2gum s TYR 689 CO 0.73 -0.07 0.86 0.95 -1.11 0.00 0.00 175.55 176.91 2gum s THR 690 N 0.13 4.14 0.56 -0.71 -4.23 -1.26 -4.91 115.64 109.35 2gum s THR 690 Ca -0.02 0.09 0.25 0.00 -1.18 0.00 0.00 61.69 60.83 2gum s THR 690 Cb -0.07 -3.61 0.35 0.00 1.34 0.00 0.00 72.50 70.51 2gum s THR 690 CO 0.00 -0.62 2.08 0.08 -0.54 0.00 0.00 174.62 175.62 2gum h ARG 691 N -0.02 0.00 -0.16 3.99 0.11 -2.01 -1.38 114.38 114.90 2gum h ARG 691 Ca -0.46 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.49 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 0.61 0.00 -0.40 0.45 0.10 0.00 0.00 179.97 180.73 2gum h HIS 692 N 0.00 0.71 -0.85 4.08 3.86 -1.98 0.12 115.15 121.08 2gum h HIS 692 Ca 0.11 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2gum h HIS 692 Cb 0.53 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2gum h HIS 692 CO 0.00 1.02 0.53 0.93 0.86 0.00 0.00 177.93 181.27 2gum h GLU 693 N 0.19 1.15 -0.13 2.45 5.08 -1.65 0.13 114.58 121.80 2gum h GLU 693 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2gum h GLU 693 Cb 1.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2gum h GLU 693 CO 0.09 0.80 0.04 0.82 -1.00 0.00 0.00 179.01 179.76 2gum h ILE 694 N 1.17 1.17 -0.66 3.13 2.04 -1.26 0.20 117.51 123.31 2gum h ILE 694 Ca 0.31 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.69 2gum h ILE 694 Cb -0.06 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2gum h ILE 694 CO -0.06 0.16 0.44 0.50 0.00 0.00 0.00 178.15 179.19 2gum h LYS 695 N 0.04 0.68 0.00 2.37 3.64 -0.25 -1.04 116.57 122.01 2gum h LYS 695 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gum h LYS 695 Cb 0.21 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2gum h LYS 695 CO -0.00 0.45 -0.20 -3.47 -2.27 0.00 0.00 179.45 173.96 2gum n ASP 696 N -4.47 0.47 0.24 4.20 -0.08 0.42 -3.74 116.55 113.59 2gum n ASP 696 Ca 0.09 0.33 0.17 0.00 -1.51 0.00 0.00 54.79 53.87 2gum n ASP 696 Cb 0.20 -0.35 0.84 0.00 2.34 0.00 0.00 41.12 44.15 2gum n ASP 696 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2gum h SER 697 N 0.00 0.00 -3.26 1.67 4.64 0.77 -3.42 113.55 113.96 2gum h SER 697 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2gum h SER 697 Cb 0.62 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.63 2gum h SER 697 CO 0.00 0.00 0.50 -0.83 -0.87 0.00 0.00 176.83 175.63 2gum s GLY 698 N -3.88 1.87 0.22 -0.77 0.00 -1.25 -4.96 107.32 98.54 2gum s GLY 698 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 2gum s GLY 698 CO 0.36 1.82 1.58 -2.00 0.00 0.00 0.00 173.10 174.86 2gum h LEU 699 N 8.94 -1.11 -8.59 0.66 5.85 -1.94 -3.39 115.31 115.72 2gum h LEU 699 Ca -0.24 0.26 -0.69 0.00 0.84 0.00 0.00 57.88 58.04 2gum h LEU 699 Cb 1.10 0.61 -0.30 0.00 0.37 0.00 0.00 40.66 42.43 2gum h LEU 699 CO 0.88 -0.29 -0.89 -0.76 -0.34 0.00 0.00 178.44 177.04 2gum s LEU 700 N -10.89 2.05 -0.36 2.25 1.43 -1.26 -5.10 118.68 106.80 2gum s LEU 700 Ca -0.14 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 2gum s LEU 700 Cb 0.19 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 45.16 2gum s LEU 700 CO 0.72 0.31 0.13 -0.62 0.23 0.00 0.00 176.35 177.12 2gum s ASP 701 N -0.57 5.24 0.27 2.29 -1.08 -1.26 -4.99 116.67 116.57 2gum s ASP 701 Ca 0.09 -1.50 -0.01 0.00 -0.52 0.00 0.00 52.55 50.60 2gum s ASP 701 Cb -0.10 -1.84 0.58 0.00 -1.46 0.00 0.00 42.92 40.10 2gum s ASP 701 CO -0.01 -0.41 1.70 0.22 0.52 0.00 0.00 175.17 177.19 2gum h TYR 702 N 8.14 0.47 -0.24 -5.34 3.20 -1.98 0.17 116.97 121.40 2gum h TYR 702 Ca -0.20 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 2gum h TYR 702 Cb 1.07 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2gum h TYR 702 CO 0.59 -0.05 0.11 1.15 -1.64 0.00 0.00 178.16 178.33 2gum h THR 703 N 0.36 1.15 -0.14 1.81 2.02 -1.99 -0.94 112.91 115.18 2gum h THR 703 Ca 0.48 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2gum h THR 703 Cb 0.85 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2gum h THR 703 CO -0.51 0.15 0.09 -0.33 0.37 0.00 0.00 175.52 175.30 2gum h GLU 704 N 0.25 0.19 -0.84 6.66 4.39 -1.63 -0.76 114.58 122.85 2gum h GLU 704 Ca 0.08 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.78 2gum h GLU 704 Cb 0.14 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2gum h GLU 704 CO -0.01 0.14 0.55 0.28 -1.16 0.00 0.00 179.01 178.81 2gum h VAL 705 N 0.19 1.20 -0.36 3.13 2.07 -0.94 -1.49 116.25 120.06 2gum h VAL 705 Ca 0.05 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2gum h VAL 705 Cb -0.01 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 2gum h VAL 705 CO -0.01 0.20 -0.37 1.56 0.02 0.00 0.00 177.57 178.98 2gum h GLN 706 N 1.12 0.83 0.02 1.57 1.08 -0.91 -0.81 115.11 118.01 2gum h GLN 706 Ca 0.31 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2gum h GLN 706 Cb -0.11 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2gum h GLN 706 CO -0.08 1.06 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.76 2gum h ARG 707 N 0.69 -0.03 0.71 1.46 1.12 -0.80 -1.42 114.38 116.10 2gum h ARG 707 Ca 0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.90 2gum h ARG 707 Cb 0.93 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.90 2gum h ARG 707 CO 0.09 0.01 -0.34 -0.09 -3.11 0.00 0.00 179.97 176.52 2gum h ARG 708 N -0.06 -0.92 -0.69 0.20 2.43 -1.26 -3.16 114.38 110.93 2gum h ARG 708 Ca -0.00 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 2gum h ARG 708 Cb 0.05 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2gum h ARG 708 CO 0.01 -0.59 0.48 -0.91 -1.51 0.00 0.00 179.97 177.44 2gum h ASN 709 N -1.18 0.21 0.12 -3.80 4.21 -1.17 0.40 115.58 114.37 2gum h ASN 709 Ca -0.10 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2gum h ASN 709 Cb 0.75 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 2gum h ASN 709 CO 0.16 0.11 -0.03 0.00 -1.29 0.00 0.00 177.43 176.38 2gum n GLN 710 N -4.42 1.04 0.00 0.81 6.02 -0.54 -3.06 117.38 117.24 2gum n GLN 710 Ca 0.13 -0.29 0.11 0.00 -0.01 0.00 0.00 57.00 56.95 2gum n GLN 710 Cb 0.61 -1.49 0.11 0.00 1.02 0.00 0.00 30.24 30.48 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 -0.73 0.94 -0.36 1.08 4.77 0.13 -4.54 117.00 118.30 2gum n LEU 711 Ca 0.20 -0.30 -0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2gum n LEU 711 Cb 0.22 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2gum n LEU 711 CO 0.19 0.21 0.61 -0.74 -1.33 0.00 0.00 177.39 176.33 2gum h HIS 712 N 0.49 -0.97 -0.52 -1.77 2.76 -1.57 -1.06 115.15 112.51 2gum h HIS 712 Ca 0.00 0.10 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 2gum h HIS 712 Cb 0.53 0.56 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2gum h HIS 712 CO 0.00 -0.40 0.03 -0.44 -1.30 0.00 0.00 177.93 175.81 2gum h ASP 713 N -0.02 0.88 0.72 3.26 3.32 -1.86 0.23 116.42 122.95 2gum h ASP 713 Ca 0.36 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2gum h ASP 713 Cb 0.61 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2gum h ASP 713 CO -0.96 0.95 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.43 2gum h LEU 714 N 0.77 0.00 0.00 1.55 3.38 -1.53 -1.26 115.31 118.22 2gum h LEU 714 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gum h LEU 714 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2gum h LEU 714 CO 0.02 0.01 -0.61 0.54 0.09 0.00 0.00 178.44 178.50 2gum n ARG 715 N -3.13 0.47 -0.67 1.13 1.74 -0.49 -4.66 116.66 111.06 2gum n ARG 715 Ca -0.00 0.47 0.09 0.00 -0.77 0.00 0.00 57.85 57.64 2gum n ARG 715 Cb 0.24 -1.65 0.37 0.00 -1.02 0.00 0.00 32.46 30.41 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 -4.59 1.60 -3.61 -1.55 3.01 0.77 -4.99 117.46 108.10 2gum n PHE 716 Ca -0.09 -0.62 -0.11 0.00 1.01 0.00 0.00 57.45 57.65 2gum n PHE 716 Cb 0.32 -0.29 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.98 -1.16 -0.03 4.37 0.00 -0.48 -4.98 121.76 117.51 2gum s ALA 717 Ca 0.52 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 2gum s ALA 717 Cb 0.35 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 24.23 2gum s ALA 717 CO 0.24 -0.75 0.40 0.34 0.00 0.00 0.00 175.76 175.98 2gum s ASP 718 N -2.81 6.76 -0.01 0.00 -1.08 -1.26 -4.40 116.67 113.86 2gum s ASP 718 Ca 0.05 0.90 0.05 0.00 -0.52 0.00 0.00 52.55 53.03 2gum s ASP 718 Cb -0.00 -2.24 -0.08 0.00 -1.46 0.00 0.00 42.92 39.14 2gum s ASP 718 CO -0.09 0.28 0.11 -0.38 0.52 0.00 0.00 175.17 175.62 2gum n ILE 719 N 2.11 0.00 -0.02 4.11 5.41 -1.26 -4.76 119.36 124.95 2gum n ILE 719 Ca -0.13 -0.11 0.08 0.00 1.00 0.00 0.00 62.75 63.58 2gum n ILE 719 Cb 0.52 0.39 -0.17 0.00 -0.71 0.00 0.00 39.64 39.68 2gum n ILE 719 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2gum n ASP 720 N -1.67 0.02 -4.65 4.38 8.00 -1.26 -4.94 116.55 116.43 2gum n ASP 720 Ca -0.01 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 2gum n ASP 720 Cb 0.13 1.84 -0.03 0.00 -0.02 0.00 0.00 41.12 43.04 2gum n ASP 720 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2gum s THR 721 N -3.38 3.62 -0.86 -3.53 2.01 -1.26 -4.95 115.64 107.28 2gum s THR 721 Ca -0.08 0.73 -0.09 0.00 0.31 0.00 0.00 61.69 62.56 2gum s THR 721 Cb 0.13 -3.52 0.22 0.00 0.01 0.00 0.00 72.50 69.34 2gum s THR 721 CO 0.90 -0.12 0.78 -0.69 -0.69 0.00 0.00 174.62 174.80 2gum s VAL 722 N 4.45 5.19 0.43 3.82 1.01 -1.26 -4.94 120.40 129.10 2gum s VAL 722 Ca 0.73 -2.95 0.24 0.00 0.00 0.00 0.00 61.98 60.00 2gum s VAL 722 Cb -0.31 -4.21 0.44 0.00 0.00 0.00 0.00 36.38 32.30 2gum s VAL 722 CO 0.29 -1.04 1.73 0.40 0.00 0.00 0.00 175.10 176.48 2gum h ILE 723 N 4.53 0.39 0.00 2.22 2.04 -2.03 -3.56 117.51 121.11 2gum h ILE 723 Ca 0.11 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2gum h ILE 723 Cb 0.96 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2gum h ILE 723 CO 0.81 0.05 0.00 1.41 0.00 0.00 0.00 178.15 180.42