NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 T 4.4545 8.0327 110.9578 61.4756 69.3339 175.3094 102 S 3.8048 8.8192 111.4343 60.7846 62.1539 174.3232 103 L 4.0110 8.7452 123.7158 58.2779 42.2940 178.5530 104 I 3.7593 7.8233 119.5171 64.6655 36.9085 178.1713 105 H 4.4640 8.2432 118.0768 58.2549 28.7093 177.6802 106 S 4.1118 7.8949 114.4121 61.3621 62.1779 176.2434 107 L 4.0430 8.1765 121.8470 57.5834 41.2703 179.3456 108 I 3.6575 8.0978 120.2624 64.4946 37.2812 177.6925 109 E 4.1422 8.3413 121.5413 58.6639 29.4361 178.7186 110 E 3.9933 8.0917 118.6205 59.3928 29.7479 178.7020 111 S 4.1143 8.3382 113.7500 61.2082 62.5927 175.9712 112 Q 3.9557 8.7503 120.8622 59.4793 28.3036 178.1398 113 N 4.5480 7.7636 118.1488 56.4061 39.0833 176.8174 114 Q 4.0625 8.0441 118.9746 58.5900 28.7720 178.3116 115 Q 3.9626 8.3619 121.0421 59.2354 29.0593 177.9778 116 E 3.9575 8.7083 120.0341 59.2323 29.3419 179.3210 117 K 3.9528 8.1178 119.8524 59.5550 32.2528 178.7381 118 N 4.3557 8.1459 116.5329 56.1710 38.4152 177.3485 119 E 3.9703 8.4345 120.3451 59.2447 29.3164 179.0204 120 Q 3.9533 8.1388 118.9444 59.4373 29.5898 178.0942 121 E 4.1031 8.4611 119.6840 59.0511 29.4301 179.1187 122 L 3.9974 7.9549 120.6575 58.0540 42.0048 178.4258 123 L 4.5571 7.6178 116.1770 54.9937 41.5058 177.1259 124 E 4.7376 7.8447 116.5095 56.0561 31.2336 175.9909 125 L 5.0500 7.8626 119.0924 53.4211 43.9655 176.9608 126 D 4.7785 8.0648 116.2930 53.3047 38.4586 177.1792 127 G 4.1193 7.9817 104.2743 45.6861 0.0000 172.9287 128 D 4.5104 8.1205 122.5923 51.3444 39.3433 173.9789 129 G 3.9609 8.0633 105.5195 42.2161 0.0000 169.9712 130 P 4.3104 0.0000 0.0000 62.7914 31.9093 178.0076 131 Q 4.0681 8.7244 120.1288 59.2123 28.3298 178.6318 132 L 3.9783 8.1215 120.7436 58.0884 41.5286 179.2298 133 L 4.0980 7.9650 118.7076 57.6121 41.3347 178.7382 134 S 4.4708 8.0123 110.6962 59.4501 62.6963 174.9608 135 G 3.9706 7.6469 106.8808 46.6828 0.0000 175.7787 136 I 3.7317 8.1066 122.3581 64.4886 37.1880 178.9413 137 V 3.6148 7.7322 113.2618 64.4702 31.2042 178.5026 138 Q 4.1149 8.0139 118.8433 58.7781 28.8616 177.9147 139 Q 3.9166 8.2254 120.8886 59.3342 29.2026 178.0032 140 Q 4.0110 8.3569 119.3980 58.7953 28.5722 178.3822 141 N 4.2752 8.6220 118.5731 56.9261 38.9087 176.7810 142 N 4.3555 7.9773 117.7728 56.0255 38.4555 177.5127 143 L 3.9736 8.2845 120.8973 57.6743 41.7358 179.1038 144 L 3.9357 8.2756 120.5839 58.5093 42.0112 179.2456 145 R 3.9841 8.3279 117.7758 59.1134 29.8712 178.9992 146 A 3.9743 7.8243 120.7655 55.2216 18.4059 179.7244 147 I 3.6804 7.5274 118.3447 64.6629 36.9522 178.6074 148 E 3.9723 8.4584 118.5548 59.0935 29.4527 178.8491 149 A 4.2200 8.0730 120.8242 54.9152 18.8273 179.4733 150 Q 3.9303 8.5222 116.9883 59.1939 28.4160 178.8526 151 Q 4.1260 8.1199 120.5431 58.9896 28.7702 177.7569 152 H 4.4374 8.2811 118.6272 58.0478 30.5785 177.0024 153 L 4.0250 7.7655 120.2748 57.3122 42.1137 178.1107 154 L 4.8775 8.2584 120.9071 53.7835 41.6091 176.1544 155 Q 4.6463 7.6896 119.0163 56.8025 34.8398 175.5290 156 L 4.0131 8.4423 119.8424 58.6713 41.5989 179.2475 157 T 3.9355 7.8215 108.9311 64.7573 68.5221 176.9427 158 V 3.5985 7.7078 120.7604 65.5750 31.7457 177.9645 159 W 3.9919 9.0579 119.1471 59.3495 28.8075 178.2898 160 G 3.9837 8.3302 105.5709 48.6281 0.0000 175.6569 161 I 3.7775 8.2079 115.5416 63.1816 37.4975 178.5055 162 K 3.8628 7.5250 118.8770 58.6603 32.1322 179.1218 163 Q 4.2259 8.3094 118.7740 58.8128 28.9229 178.2115 164 L 4.0502 8.2910 120.6422 57.7938 41.5615 179.5230 165 Q 3.9769 8.4221 117.6182 59.3101 28.1301 178.5905 166 A 4.0452 7.7422 120.9956 54.3741 18.7754 179.5115 167 R 4.0667 7.8113 116.6960 59.3276 30.2519 178.8850 168 I 3.7370 7.9058 119.6656 64.3097 36.9618 178.1883 169 L 4.1926 7.9657 117.6272 56.6030 41.4788 178.5915 170 A 4.2905 7.5948 119.7795 53.6175 18.5057 178.0462 171 V 4.4064 7.8190 114.2142 62.1010 33.2557 174.7798 172 E 4.1995 7.9842 124.2817 56.7213 29.5928 174.5241 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 101 T 8.03 4.45 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 102 S 8.82 3.80 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.75 4.01 0.00 1.81 1.67 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.82 3.76 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.91 0.00 0.00 105 H 8.24 4.46 0.00 3.40 3.38 0.00 6.09 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.89 4.11 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.18 4.04 0.00 1.90 1.71 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.10 3.66 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 1.02 0.00 0.00 109 E 8.34 4.14 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 110 E 8.09 3.99 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 111 S 8.34 4.11 0.00 4.02 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.75 3.96 0.00 2.27 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.57 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 113 N 7.76 4.55 0.00 2.96 3.06 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.04 4.06 0.00 2.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 115 Q 8.36 3.96 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 116 E 8.71 3.96 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 117 K 8.12 3.95 0.00 2.06 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.68 7.81 118 N 8.15 4.36 0.00 2.99 2.85 0.00 0.00 7.03 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.43 3.97 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 120 Q 8.14 3.95 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 121 E 8.46 4.10 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 122 L 7.95 4.00 0.00 1.85 1.85 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.62 4.56 0.00 1.92 1.69 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.84 4.74 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 125 L 7.86 5.05 0.00 1.74 1.57 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.06 4.78 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.12 4.51 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.31 0.00 2.18 2.00 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 131 Q 8.72 4.07 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 132 L 8.12 3.98 0.00 1.67 1.79 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.97 4.10 0.00 1.82 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.01 4.47 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.65 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.11 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.91 0.00 0.00 137 V 7.73 3.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 138 Q 8.01 4.11 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 139 Q 8.23 3.92 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 140 Q 8.36 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 141 N 8.62 4.28 0.00 3.02 3.03 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.98 4.36 0.00 2.85 2.84 0.00 0.00 7.42 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.28 3.97 0.00 1.83 1.71 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.28 3.94 0.00 1.79 1.89 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.33 3.98 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 146 A 7.82 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.53 3.68 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 0.91 0.00 0.00 148 E 8.46 3.97 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 149 A 8.07 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.52 3.93 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 151 Q 8.12 4.13 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 152 H 8.28 4.44 0.00 3.23 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.77 4.03 0.00 1.83 1.72 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.26 4.88 0.00 1.60 1.79 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.69 4.65 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 156 L 8.44 4.01 0.00 1.89 1.93 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.82 3.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 158 V 7.71 3.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 159 W 9.06 3.99 0.00 3.59 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.33 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.21 3.78 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.58 0.95 0.00 0.00 162 K 7.53 3.86 0.00 1.51 1.55 0.00 1.18 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.30 7.81 163 Q 8.31 4.23 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.96 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 164 L 8.29 4.05 0.00 1.71 1.72 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 8.42 3.98 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 166 A 7.74 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.81 4.07 0.00 1.98 1.99 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 168 I 7.91 3.74 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.97 0.00 0.00 169 L 7.97 4.19 0.00 1.80 1.73 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.59 4.29 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.82 4.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 172 E 7.98 4.20 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00