NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 N 3.3109 8.4093 117.7101 51.8517 38.8495 173.2745 72 D 4.6775 6.9006 121.5983 51.5422 41.8168 177.2906 73 W 4.9757 8.7263 116.3116 57.8235 29.2917 177.6634 74 E 4.2941 7.5392 118.0606 57.6702 29.9299 176.7017 75 E 4.1508 7.9640 119.8652 55.5621 30.0949 176.4428 76 P 4.7353 0.0000 0.0000 65.0422 31.7804 178.6293 77 R 3.8507 8.0582 118.4517 58.4091 30.1256 176.7110 78 L 4.7047 7.4400 115.4961 54.1685 41.8456 176.0548 79 D 4.5933 7.7496 119.4693 55.0118 41.5373 177.9303 80 I 3.9021 8.7792 123.7158 64.8914 37.0365 178.2744 81 E 4.3305 8.5494 118.9075 59.6494 29.2929 179.5053 82 G 3.6307 8.2528 105.5338 47.8389 0.0000 175.8396 83 F 3.9980 8.3969 119.6882 60.1395 39.0144 177.8236 84 V 3.7531 8.0633 117.9424 66.0328 31.2935 178.2140 85 V 3.6229 8.2241 118.3199 66.2025 31.4321 177.5002 86 D 4.3130 8.1182 117.7610 57.3986 40.9409 177.6167 87 Y 4.1364 8.6085 120.4595 60.5328 38.8160 177.4297 88 F 4.2413 9.1032 119.1770 61.0529 39.1104 177.5830 89 T 4.1402 8.5750 115.4640 67.1772 68.3220 176.1159 90 H 4.1516 8.2141 119.8150 59.3083 29.7052 177.3391 91 R 3.6649 7.9159 119.6466 59.2849 30.2194 178.2531 92 I 3.7773 7.9347 119.9902 64.3782 37.0163 178.6616 93 R 4.0088 8.1395 118.8887 59.0089 29.6280 178.7950 94 Q 3.9442 7.8673 118.7276 58.2376 28.9456 176.5754 95 N 4.7719 7.6026 116.4498 52.6424 39.8112 174.3898 96 G 3.5051 7.9837 104.8170 46.0777 0.0000 174.6409 *98 E 4.0501 7.9244 117.6623 55.4474 30.8887 175.2522 99 W 4.7958 8.6807 135.0000 56.5075 29.4358 176.1035 100 F 4.0890 9.1646 124.4526 59.9440 38.6507 176.7462 101 G 3.7796 8.1852 106.5109 45.0053 0.0000 173.4237 102 A 2.0000 6.1694 123.2586 50.6846 18.5084 176.4639 103 P 4.1415 0.0000 0.0000 61.7651 32.2132 176.4563 104 G 3.5860 8.1267 108.4687 45.5837 0.0000 173.5041 105 L 4.4600 7.8301 121.8841 51.5929 42.1387 174.7692 106 P 4.1342 0.0000 0.0000 65.4561 31.0645 177.8303 107 S 4.3822 8.0202 111.1135 57.0587 63.3094 174.9518 108 G 3.8110 8.1924 110.6507 44.0456 0.0000 173.4932 109 V 3.6647 8.1638 118.1384 63.2466 31.9484 175.2490 110 Q 4.5889 8.1770 125.4643 53.2609 31.0129 174.8054 111 P 4.3362 0.0000 0.0000 66.2399 30.8508 178.6085 112 E 4.2372 7.9760 116.8575 59.1356 29.4525 178.5676 113 H 4.4237 7.9009 116.4631 58.1244 30.0329 177.3655 114 E 4.2877 7.4809 121.9411 56.7953 25.8330 177.3174 *117 R 4.6370 7.8428 121.2301 56.3839 32.6789 178.5058 118 V 3.7152 7.4937 114.7889 63.4606 31.0749 177.7254 *120 G 4.0395 8.0926 108.6770 45.5452 0.0000 176.0323 121 T 4.0403 8.2482 116.8506 66.5009 68.5365 176.8710 122 I 3.2539 8.0496 122.0856 64.1636 37.0801 178.2681 123 F 3.8809 8.1947 120.9923 61.1350 39.3879 176.5086 124 E 3.4931 8.7373 119.3010 59.2835 29.2730 178.9403 125 K 3.9512 7.7428 117.0853 59.4153 32.1148 179.1267 126 K 4.0221 7.4799 117.5526 58.2935 32.1275 177.5929 127 H 4.5882 7.5627 115.1512 55.0279 29.6553 175.9107 128 A 3.7151 7.6247 123.0982 55.4679 17.9156 179.9579 129 E 3.8363 8.0129 116.7820 59.7276 29.7867 178.7446 130 N 4.0517 7.9674 115.6710 55.9199 38.5637 177.3428 131 F 4.4349 8.3660 119.8844 60.5171 39.0025 177.4219 132 E 4.3196 8.3847 118.3777 59.7599 29.2681 179.5692 133 T 3.8566 7.5938 115.6928 66.8241 68.5385 176.7555 134 F 4.7464 7.8957 119.8634 60.7831 38.8078 177.9532 135 S 4.6064 8.7982 113.9997 61.4999 62.7374 176.3913 136 E 4.0792 8.1945 121.1640 58.9155 29.4594 179.0528 137 Q 4.1905 8.1936 118.5882 58.9270 28.7041 178.1939 138 L 4.1209 8.3921 120.4206 57.6092 42.1785 177.9666 139 L 4.5157 7.8561 116.0404 54.6742 41.8653 177.8884 140 A 4.1634 7.8331 122.8711 53.2125 18.5390 178.2549 141 V 4.3230 7.2005 116.5513 60.1591 33.5181 173.0943 142 P 4.2634 0.0000 0.0000 66.2182 30.8366 177.1070 143 R 4.6611 7.7509 118.5388 53.7479 29.9529 177.4862 144 I 4.1920 9.5942 127.0689 60.0588 37.9170 176.6510 145 S 5.0226 8.4126 119.5776 56.4631 66.8201 174.9975 146 F 3.3176 8.4197 124.1092 61.0706 39.0482 177.2822 147 S 3.8550 7.9325 112.3200 61.2785 62.3744 175.5764 148 L 4.0390 7.7044 122.5338 58.3624 41.6401 178.1242 149 Y 4.0900 8.2218 119.6185 61.0875 38.4735 178.4261 150 Q 3.5321 7.8480 118.6131 58.7150 28.4634 178.5011 151 D 4.2069 7.5875 119.4821 57.2298 40.9180 178.6122 152 V 3.5035 7.4306 117.8710 65.2829 31.8756 177.4721 153 V 3.2258 7.0764 116.1117 62.6593 31.1769 177.3113 154 R 3.6923 6.7345 118.6555 60.0402 29.7697 176.9063 155 T 4.3011 7.1688 103.3235 60.8859 69.3295 174.6203 156 V 3.4293 7.0019 123.2668 64.5454 32.1076 175.6977 157 G 3.8621 8.9712 114.8164 46.0939 0.0000 174.3788 158 N 4.3532 8.0358 116.4684 52.5988 37.6529 172.6574 *165 P 4.2796 0.0000 0.0000 62.0956 32.7875 177.4577 *167 S 3.9471 8.0962 114.7670 58.2607 65.3275 174.4671 168 Y 4.4256 7.8278 119.0040 61.0796 37.5276 179.1981 169 G 3.7808 8.1911 106.4074 47.9599 0.0000 175.6818 170 R 3.9932 7.9462 121.2978 58.6884 30.1070 178.1489 171 L 3.9471 8.3578 120.6722 58.3814 42.1185 178.9942 172 I 3.8195 8.3539 120.1217 64.4016 37.0562 178.7652 173 G 2.4675 7.7395 106.3782 47.2142 0.0000 175.8062 174 L 4.0490 8.0449 121.5889 57.6325 41.6191 179.7615 175 I 3.9280 7.7110 119.6521 64.3512 36.9976 178.3116 176 S 4.0977 8.2396 114.4233 61.5242 62.1620 176.0516 177 F 3.6896 8.8128 123.8183 60.9186 38.9480 177.2540 178 G 3.6862 8.4714 105.5557 47.8158 0.0000 175.8645 179 G 3.2928 8.6034 109.0818 47.0667 0.0000 175.4129 180 F 4.1257 8.2223 122.2410 61.1824 39.7528 177.1527 181 V 3.2924 7.6237 117.8018 65.5722 31.0097 177.5970 182 A 3.5810 7.3433 119.5198 55.1863 18.1708 179.2647 183 A 3.8626 7.3379 117.5709 54.4070 19.6455 178.6857 184 K 3.9513 7.0279 118.2322 55.8426 30.4875 177.1635 *187 E 4.0874 7.7299 113.2808 55.7736 31.6524 176.0197 188 S 4.5608 7.7107 114.5594 56.2933 63.4723 174.3328 189 V 3.5627 8.7402 128.7152 66.0877 31.1844 176.9633 190 E 4.1883 8.1108 115.3771 58.3148 30.2015 177.8143 191 L 4.3329 7.7186 118.7144 56.2100 42.1476 178.2387 192 Q 3.9956 8.6725 120.2527 59.3633 28.6338 178.6029 193 G 3.9624 7.9866 102.7538 45.9028 0.0000 173.5025 194 Q 4.5900 8.1076 119.4845 55.3921 29.9707 177.6421 195 V 3.4902 7.6785 120.1719 65.7722 31.3542 178.0563 196 R 4.2696 8.0151 118.0816 59.7238 30.0319 178.0272 197 N 3.9361 8.0725 115.7607 56.0195 38.4523 176.9085 198 L 3.7173 7.7726 121.6479 57.9280 42.1534 178.7177 199 F 3.7635 8.2813 120.5803 61.1947 39.3316 177.2712 200 V 2.7183 7.2870 117.4996 65.8515 31.3104 177.2849 201 Y 4.1833 7.5865 116.7608 61.5642 37.7224 178.9245 202 T 4.1668 7.6640 117.5233 66.3096 68.6551 176.8054 203 S 4.1109 7.9528 116.8674 61.3967 62.9102 176.6386 204 L 3.8856 8.3384 123.2844 58.1178 41.4263 178.5095 205 F 4.1515 8.9039 121.0506 61.7500 39.3388 177.2413 206 I 3.8529 8.0519 119.1459 64.0213 36.7985 178.3242 207 K 3.7731 8.0949 119.4262 60.4871 31.9465 178.6775 208 T 3.7143 7.7826 114.9988 66.8311 68.4155 176.2678 209 R 3.7375 7.6927 118.0594 59.9728 30.2729 179.0557 210 I 2.9610 7.6878 121.6112 64.2146 36.7569 179.0001 211 R 3.9236 7.5451 120.3810 60.1552 29.2110 180.0887 212 N 4.8455 7.6652 111.9084 52.1125 37.6549 176.8173 213 N 5.0099 7.5273 113.4373 53.7581 41.0765 176.1019 214 W 3.9857 8.5122 120.8508 60.2649 29.5814 179.3733 215 K 4.3130 8.5159 121.9740 58.5160 31.4215 181.6556 216 E 4.0732 8.3797 116.9050 59.5699 29.7586 180.2756 *217 H 4.2460 7.8536 116.6789 55.7623 28.1249 178.2139 218 N 4.4572 7.6821 113.7875 53.7219 35.2923 179.8029 219 R 4.3383 6.9086 114.8663 55.6521 31.6235 174.7963 220 S 4.8285 7.9403 112.1288 57.7113 65.9081 176.4599 221 W 4.7452 9.3102 120.4223 59.9297 29.1115 178.3429 222 D 4.6896 8.6362 117.5653 57.5309 40.8381 177.1780 223 D 4.4257 8.1279 118.3654 57.2457 41.5269 178.2047 224 F 3.4299 8.0677 117.3385 59.2567 38.5298 176.5553 *226 T 4.2154 8.0105 116.3870 63.2749 70.0432 176.3551 227 L 3.9265 7.5239 119.3253 57.6577 41.8758 179.1734 228 G 3.4239 8.1710 109.8573 49.0867 0.0000 175.4820 229 K 4.0038 8.0211 122.2503 57.3146 31.9711 180.9748 230 Q 4.0865 7.7000 113.1113 56.8873 28.2812 177.8743 *232 K 4.3093 8.1324 121.4568 56.6524 34.0607 177.7977 233 E 4.3809 8.2744 119.5196 58.9677 29.3085 178.8181 234 D 4.3830 8.1523 118.9260 57.6425 40.9762 178.1736 235 Y 4.1695 8.1179 119.1261 60.9261 38.6456 177.6543 236 E 3.8046 8.3906 121.6462 60.3259 29.4436 180.3869 237 R 3.9047 8.0671 118.9459 61.2528 29.7573 180.3145 238 A 4.2991 8.5064 121.9231 55.2604 18.2710 179.7546 239 E 3.8709 8.2339 115.1401 58.5347 29.5126 178.3904 240 A 4.4091 7.6208 121.3009 52.1882 19.2307 177.1377 241 E 4.3180 7.5888 116.4480 54.5737 32.1584 182.1692 *242 K 4.1936 8.3386 116.7653 56.3506 32.4708 173.7303 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 71 N 8.41 3.31 0.00 2.76 2.72 0.00 0.00 6.55 7.17 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 72 D 6.90 4.68 0.00 3.01 2.98 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 73 W 8.73 4.98 0.00 3.56 3.57 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 74 E 7.54 4.29 0.00 1.74 1.95 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 2.23 1.79 0.00 75 E 7.96 4.15 0.00 2.10 1.89 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 2.34 2.47 0.00 76 P 0.00 4.74 0.00 2.22 2.32 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 77 R 8.06 3.85 0.00 1.78 1.99 0.00 3.28 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 78 L 7.44 4.70 0.00 1.75 1.38 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.75 4.59 0.00 2.74 2.90 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 80 I 8.78 3.90 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.78 1.00 0.00 0.00 81 E 8.55 4.33 0.00 2.18 2.26 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 2.56 2.56 0.00 82 G 8.25 3.63 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 83 F 8.40 4.00 0.00 3.31 3.23 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 0.00 0.00 0.00 84 V 8.06 3.75 2.30 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 0.70 0.00 0.00 1.13 0.00 0.00 85 V 8.22 3.62 2.03 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 0.82 0.00 0.00 0.48 0.00 0.00 86 D 8.12 4.31 0.00 2.62 2.56 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 87 Y 8.61 4.14 0.00 3.45 3.34 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 88 F 9.10 4.24 0.00 3.46 2.93 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 89 T 8.57 4.14 4.49 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 90 H 8.21 4.15 0.00 3.31 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.92 3.66 0.00 1.20 1.65 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 92 I 7.93 3.78 2.09 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.92 0.00 0.00 93 R 8.14 4.01 0.00 2.04 1.98 0.00 3.17 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 94 Q 7.87 3.94 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.30 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 95 N 7.60 4.77 0.00 2.70 2.83 0.00 0.00 7.21 7.62 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 96 G 7.98 3.51 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 *98 E 7.92 4.05 0.00 2.09 2.19 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 2.40 2.65 0.00 99 W 8.68 4.80 0.00 3.41 3.09 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 0.00 100 F 9.16 4.09 0.00 2.96 3.13 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 0.00 101 G 8.19 3.78 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 0.00 102 A 6.17 2.00 0.54 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 0.00 103 P 0.00 4.14 0.00 1.92 1.78 0.00 2.36 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.00 104 G 8.13 3.59 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 0.00 105 L 7.83 4.46 0.00 1.60 1.47 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.13 0.00 2.19 2.18 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 107 S 8.02 4.38 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.19 3.81 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 0.00 109 V 8.16 3.66 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 0.91 0.00 0.00 0.95 0.00 0.00 110 Q 8.18 4.59 0.00 1.32 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 111 P 0.00 4.34 0.00 2.29 2.33 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 112 E 7.98 4.24 0.00 1.74 2.31 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 2.46 2.72 0.00 113 H 7.90 4.42 0.00 3.16 3.44 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.48 4.29 0.00 2.33 1.96 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 2.36 2.38 0.00 *117 R 7.84 4.64 0.00 2.13 2.01 0.00 3.09 0.00 0.00 2.94 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 118 V 7.49 3.72 2.17 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 1.05 0.00 0.00 1.05 0.00 0.00 *120 G 8.09 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 0.00 0.00 0.00 121 T 8.25 4.04 4.44 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 1.30 0.00 0.00 122 I 8.05 3.25 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.81 0.69 0.00 0.00 123 F 8.19 3.88 0.00 3.23 3.18 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 0.00 124 E 8.74 3.49 0.00 2.38 2.18 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 2.38 0.00 125 K 7.74 3.95 0.00 1.91 1.88 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.74 7.81 126 K 7.48 4.02 0.00 1.40 1.39 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.54 7.81 127 H 7.56 4.59 0.00 2.50 3.02 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.62 3.72 1.29 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 0.00 129 E 8.01 3.84 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 130 N 7.97 4.05 0.00 2.73 2.45 0.00 0.00 7.10 8.13 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 0.00 131 F 8.37 4.43 0.00 2.86 2.19 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 0.00 132 E 8.38 4.32 0.00 2.22 2.11 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 2.65 2.61 0.00 133 T 7.59 3.86 3.99 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 0.00 0.00 1.15 0.00 0.00 134 F 7.90 4.75 0.00 2.79 2.50 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 S 8.80 4.61 0.00 4.16 4.49 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 E 8.19 4.08 0.00 2.24 2.11 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 2.40 2.60 0.00 137 Q 8.19 4.19 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 138 L 8.39 4.12 0.00 1.96 1.97 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.86 4.52 0.00 1.70 1.69 0.89 0.66 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 0.00 140 A 7.83 4.16 1.40 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 0.00 141 V 7.20 4.32 2.13 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 0.99 0.00 0.00 0.96 0.00 0.00 142 P 0.00 4.26 0.00 2.23 2.21 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 143 R 7.75 4.66 0.00 1.84 1.78 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 144 I 9.59 4.19 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.02 1.22 0.00 0.00 145 S 8.41 5.02 0.00 4.08 4.03 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 0.00 146 F 8.42 3.32 0.00 2.59 2.93 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 S 7.93 3.85 0.00 3.90 3.81 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 0.00 148 L 7.70 4.04 0.00 1.81 1.86 0.98 0.68 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 0.00 149 Y 8.22 4.09 0.00 3.22 2.91 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 7.85 3.53 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.40 1.98 0.00 151 D 7.59 4.21 0.00 2.71 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 0.00 152 V 7.43 3.50 1.93 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 0.97 0.00 0.00 153 V 7.08 3.23 1.13 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 0.01 0.00 0.00 0.44 0.00 0.00 154 R 6.73 3.69 0.00 1.79 1.79 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 155 T 7.17 4.30 4.40 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 1.13 0.00 0.00 156 V 7.00 3.43 1.90 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 0.74 0.00 0.00 0.20 0.00 0.00 157 G 8.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.04 4.35 0.00 2.75 2.86 0.00 0.00 7.18 8.02 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 *165 P 0.00 4.28 0.00 2.18 2.06 0.00 3.31 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 *167 S 8.10 3.95 0.00 4.00 4.01 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 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8.24 4.10 0.00 3.89 4.11 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 0.00 177 F 8.81 3.69 0.00 2.59 3.07 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 0.00 0.00 0.00 178 G 8.47 3.69 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 0.00 179 G 8.60 3.29 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 0.00 180 F 8.22 4.13 0.00 3.31 3.18 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 0.00 181 V 7.62 3.29 1.62 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 0.76 0.00 0.00 -0.04 0.00 0.00 182 A 7.34 3.58 0.60 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 0.00 183 A 7.34 3.86 1.18 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 0.00 184 K 7.03 3.95 0.00 1.68 1.61 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.46 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 0.74 7.81 *187 E 7.73 4.09 0.00 1.93 1.96 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 2.15 2.25 0.00 188 S 7.71 4.56 0.00 3.77 3.67 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 0.00 189 V 8.74 3.56 2.06 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 0.86 0.00 0.00 0.91 0.00 0.00 190 E 8.11 4.19 0.00 2.11 2.05 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 2.25 2.26 0.00 191 L 7.72 4.33 0.00 1.68 1.68 0.91 1.19 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 0.00 192 Q 8.67 4.00 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 193 G 7.99 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 0.00 194 Q 8.11 4.59 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 195 V 7.68 3.49 1.89 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 0.09 0.00 0.00 0.74 0.00 0.00 196 R 8.02 4.27 0.00 2.15 2.02 0.00 3.34 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 197 N 8.07 3.94 0.00 2.70 2.09 0.00 0.00 6.71 6.74 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 0.00 198 L 7.77 3.72 0.00 1.92 1.96 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.28 3.76 0.00 2.76 3.37 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 0.00 200 V 7.29 2.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.70 0.00 0.00 201 Y 7.59 4.18 0.00 2.48 2.02 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 0.00 202 T 7.66 4.17 4.42 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 1.42 0.00 0.00 203 S 7.95 4.11 0.00 3.66 3.80 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 0.00 204 L 8.34 3.89 0.00 1.64 1.85 0.49 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 0.00 205 F 8.90 4.15 0.00 3.58 3.38 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 0.00 206 I 8.05 3.85 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.13 0.77 0.00 0.00 207 K 8.09 3.77 0.00 2.02 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.67 7.81 208 T 7.78 3.71 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 1.10 0.00 0.00 209 R 7.69 3.74 0.00 1.64 1.84 0.00 3.04 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 210 I 7.69 2.96 1.33 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.24 -1.12 0.00 0.00 211 R 7.55 3.92 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 212 N 7.67 4.85 0.00 2.73 2.73 0.00 0.00 6.87 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 N 7.53 5.01 0.00 2.71 2.82 0.00 0.00 7.16 7.83 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 0.00 214 W 8.51 3.99 0.00 2.19 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 0.00 0.00 0.00 215 K 8.52 4.31 0.00 1.68 1.82 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.01 7.81 216 E 8.38 4.07 0.00 1.98 1.89 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 2.23 1.87 0.00 *217 H 7.85 4.25 0.00 2.90 3.00 0.00 7.26 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 7.68 4.46 0.00 2.91 2.86 0.00 0.00 6.89 7.45 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 0.00 219 R 6.91 4.34 0.00 0.67 0.95 0.00 2.21 0.00 0.00 2.67 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 220 S 7.94 4.83 0.00 4.51 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 0.00 221 W 9.31 4.75 0.00 3.87 3.54 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 0.00 222 D 8.64 4.69 0.00 2.81 2.85 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 0.00 223 D 8.13 4.43 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 F 8.07 3.43 0.00 3.21 3.46 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 *226 T 8.01 4.22 4.34 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 1.18 0.00 0.00 227 L 7.52 3.93 0.00 1.42 1.54 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.17 3.42 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 0.00 229 K 8.02 4.00 0.00 1.69 1.85 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.05 7.81 230 Q 7.70 4.09 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.36 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 *232 K 8.13 4.31 0.00 1.91 2.04 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.56 7.81 233 E 8.27 4.38 0.00 2.22 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 2.35 2.55 0.00 234 D 8.15 4.38 0.00 2.76 2.77 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 0.00 235 Y 8.12 4.17 0.00 3.04 3.21 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 0.00 236 E 8.39 3.80 0.00 2.23 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 2.41 2.77 0.00 237 R 8.07 3.90 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 238 A 8.51 4.30 1.36 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 0.00 239 E 8.23 3.87 0.00 1.50 1.78 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 1.49 1.47 0.00 240 A 7.62 4.41 1.31 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 0.00 241 E 7.59 4.32 0.00 2.01 1.76 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 2.10 0.00 *242 K 8.34 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.