NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2265 8.2531 123.5871 51.4555 19.8411 176.3808 3 G 3.5201 8.6285 109.1249 45.1872 0.0000 172.3228 4 K 4.3463 8.5636 125.6028 56.0141 33.9175 175.0758 5 S 5.5935 8.2604 114.0579 56.0517 66.0040 172.8996 6 S 4.9193 8.9410 122.0610 57.1004 65.5737 172.4977 7 L 5.2678 8.3305 124.2964 53.6068 43.7087 175.2798 8 F 4.9550 9.5531 125.7366 55.5889 41.9562 174.3643 9 K 5.0861 9.4968 125.8279 55.1508 33.6964 175.1473 10 V 4.9868 9.2376 127.8231 61.0833 34.7950 173.8543 11 I 5.1187 8.4429 126.9392 59.2476 41.0393 173.7664 12 L 5.1106 8.8628 128.7005 53.2642 43.5510 175.5740 13 L 4.5439 9.7460 123.1964 51.9015 45.8627 176.3433 14 G 3.7711 6.4872 111.0511 44.0532 0.0000 171.9566 15 D 4.8713 8.0457 119.6569 53.8400 41.4545 176.7402 16 G 3.7348 8.6779 110.6111 47.6389 0.0000 174.1437 17 G 4.0297 8.9790 111.7816 45.2605 0.0000 174.6964 18 V 3.7207 7.2437 112.5710 62.3882 31.9161 176.7651 19 G 4.2183 8.5670 109.1836 45.6682 0.0000 175.8652 20 K 3.9139 8.5414 121.0281 59.4152 31.9967 178.9568 21 S 4.1327 8.0482 112.6687 61.6204 62.3289 176.1799 22 S 4.1862 8.0964 117.3239 61.4917 62.6011 176.5503 23 L 4.1009 8.4170 122.1191 58.0927 41.4621 179.2297 24 M 4.0022 8.2808 118.1040 58.7481 32.1030 178.0202 25 N 4.3227 8.4384 116.8030 56.1459 38.6676 177.3365 26 R 4.1519 8.4295 121.9050 59.0317 29.9917 177.8841 27 Y 4.1972 7.9059 117.9597 60.8687 38.8566 177.9231 28 V 3.4402 7.5966 117.8337 64.8258 31.8286 177.0241 29 T 4.3404 7.9387 106.4831 60.0754 69.7951 173.5063 30 N 4.3124 8.2810 118.9925 54.6407 37.7501 173.4916 31 K 4.7865 7.7964 112.9961 54.0173 35.9408 175.1658 32 F 4.9182 8.5232 122.2782 56.5088 42.2378 173.8631 33 D 4.1271 7.5714 126.5762 53.0435 43.2936 174.4712 34 T 3.6369 8.0195 122.3211 62.0264 66.6777 173.6092 *39 T 4.3664 8.2590 119.5656 61.1683 70.7851 175.0293 40 I 4.1761 7.7212 121.9191 61.7329 38.5019 174.7754 41 G 4.6091 7.4970 108.6301 43.7195 0.0000 172.0761 42 V 4.1150 8.2457 119.6365 63.0520 32.3722 176.5061 43 E 4.7487 9.1551 127.3850 54.4051 33.2793 174.0014 44 F 5.2686 7.8195 119.1128 55.1376 41.1925 173.5495 45 L 4.8262 8.8451 119.6485 53.0952 45.7089 175.1469 46 N 5.5931 8.6146 117.9299 51.6666 41.7764 174.1089 47 K 4.4830 8.8544 122.4937 55.0966 36.0377 174.8361 48 D 5.1751 8.6725 127.4698 54.3489 42.0497 175.6383 49 L 4.6423 8.7965 121.5625 55.2454 44.2000 173.5912 50 E 5.2187 8.6395 117.7350 55.2371 33.4786 175.0100 51 V 4.3687 8.7549 125.5184 62.4021 34.2545 174.9780 52 D 4.4546 9.9925 126.9703 55.4847 38.3927 174.6767 53 G 4.0516 8.5556 104.0914 43.7689 0.0000 173.4223 54 H 4.6758 8.1082 117.6832 53.4172 30.6977 174.1277 55 F 4.9983 8.1417 122.9496 58.0452 39.9746 174.7353 56 V 5.3316 9.0453 115.1273 59.3235 36.8021 174.1882 57 T 5.0918 9.4770 118.3696 62.1428 72.1787 172.7420 58 M 5.1770 9.2515 126.0886 53.9426 34.9811 174.1978 59 Q 5.0785 9.5219 127.2506 54.6273 31.9186 173.9378 60 I 5.1068 9.1269 128.7021 59.7532 39.2981 174.7188 61 W 5.1933 9.5778 128.0011 55.0054 31.8084 174.7528 62 D 5.2038 9.4177 125.1740 52.9531 42.2559 175.7596 63 T 4.6043 8.1605 116.3235 61.0025 69.5879 176.1785 64 A 4.6425 7.5992 125.4174 52.4114 17.2101 178.8929 65 G 4.4665 7.4000 122.1696 44.3695 0.0000 174.4536 66 Q 4.4082 8.9382 126.6930 54.5291 29.3869 176.2923 67 E 4.0331 9.0407 122.0713 59.2706 29.7206 179.2780 68 R 3.8899 7.9250 114.3764 57.9288 29.6877 176.9195 69 F 5.0062 8.1013 118.0131 57.0914 39.5092 177.6846 70 R 3.9889 8.0529 121.3897 59.5449 29.0712 179.0152 71 S 4.0702 8.0533 113.1012 60.6580 62.9201 174.7719 72 L 4.4582 8.0697 118.9874 55.2470 42.2197 178.0057 73 R 4.6052 7.9179 116.6090 58.4113 30.1774 178.6567 74 T 2.6259 7.5071 109.8094 63.5140 68.7334 174.3476 75 P 4.0073 0.0000 0.0000 65.1078 30.9950 177.4035 76 F 4.2448 7.7572 114.0578 58.3356 39.4734 176.8766 77 Y 4.4285 8.0331 118.0362 60.0482 37.8117 176.4759 78 R 3.9601 6.8534 118.0590 57.6540 30.5641 176.7746 79 G 3.9527 8.7894 112.2708 45.2624 0.0000 173.8577 80 S 4.3027 7.6327 115.9555 58.9988 63.2788 173.9131 81 D 4.8120 9.1329 124.4480 55.8014 41.9924 176.3158 82 C 4.5305 7.8821 117.0168 57.8591 35.6042 172.0148 83 C 4.9160 8.3172 123.9168 57.4472 34.1850 172.5287 84 L 4.7124 8.9669 127.0001 53.3092 42.8715 175.4710 85 L 4.7694 8.6730 125.6609 54.0567 42.9701 176.1900 86 T 5.2161 8.8197 121.3629 61.6668 71.6922 173.3798 87 F 5.0424 9.0202 120.1277 55.2692 42.5445 172.9848 88 S 5.0876 8.9320 113.2765 56.5135 64.1167 175.3770 89 V 4.0075 8.8893 120.5179 63.4597 31.5428 177.0596 90 D 4.7102 8.0126 118.1863 53.1879 39.6463 176.2762 91 D 4.7696 8.3197 120.5607 51.8133 42.1833 175.5364 92 S 4.2331 9.8518 123.3353 61.1402 63.0719 176.1540 93 Q 3.9818 8.2585 123.0899 59.0955 28.6289 178.2736 94 S 4.9653 8.3455 115.7194 60.9185 63.3276 176.0293 95 F 3.8026 8.1090 124.4502 61.1211 38.8971 177.2284 96 Q 3.6970 8.1034 116.5874 58.4880 28.7600 177.6557 97 N 4.6020 7.9265 115.5360 53.5620 38.6593 176.8442 98 L 4.0319 7.4695 122.5792 57.8685 41.5205 179.1512 99 S 4.3233 7.8559 112.4331 61.7356 62.2992 175.8975 100 N 4.3160 8.0867 118.5601 55.9828 38.2888 177.3146 101 W 4.3090 8.2564 120.5749 59.5393 29.0558 178.4178 102 K 4.0996 8.5568 119.7830 59.5679 31.6242 178.9709 103 K 4.0306 8.4175 118.9498 59.4443 31.8801 178.8744 104 E 4.1731 8.6541 119.8023 59.3020 29.5562 178.5990 105 F 4.4001 8.7435 120.5899 61.6396 39.5483 177.0620 106 I 3.5655 8.3092 119.5738 64.4344 36.7255 177.8715 107 Y 3.9713 8.2333 120.2658 61.0996 38.5093 177.5580 108 Y 3.7895 8.0417 115.6361 59.9641 38.2989 176.7257 109 A 3.8789 8.0651 121.6906 52.2358 19.3072 176.3734 110 D 4.1014 7.0469 114.6690 55.0457 39.6521 174.3421 111 V 3.6079 7.6441 118.6028 62.7963 32.0846 175.8616 112 K 4.1988 8.6522 127.3663 58.3202 33.0596 177.1982 113 E 4.8921 7.8201 117.6542 53.8588 29.2485 174.5652 114 P 4.5681 0.0000 0.0000 65.6041 32.2106 179.5743 115 E 4.1892 8.4077 117.7625 58.3509 29.4939 177.4202 116 S 4.7224 8.0408 111.2386 57.9419 64.3442 174.3207 117 F 4.1511 7.8544 124.0712 57.3010 40.0049 172.4877 118 P 4.5445 0.0000 0.0000 62.5236 32.3972 174.9753 119 F 5.1345 8.6484 122.0068 55.3975 42.3962 174.6657 120 V 4.6266 8.4844 120.9307 61.2510 34.8345 174.0815 121 I 5.2388 9.0782 128.3151 59.6901 39.7942 174.3762 122 L 4.9375 9.2415 127.3402 52.9593 44.5229 175.8610 123 G 3.1337 8.7923 112.7070 44.4457 0.0000 172.5213 124 N 5.0860 8.4695 126.6407 51.5084 41.5572 174.3738 125 K 4.2487 8.6756 116.6639 57.9228 28.7164 178.0229 126 I 3.9735 7.6452 111.9410 62.1570 38.0556 176.3975 127 D 4.4025 7.9121 121.0646 55.0358 39.6089 175.5716 128 I 4.1074 7.6378 122.6432 60.0655 37.8488 176.0404 129 S 4.1337 8.6920 120.8950 60.9719 63.2163 174.1216 130 E 4.2173 8.0046 120.7294 55.4821 28.2715 175.8669 131 R 4.7151 8.1771 122.4871 54.8514 32.0834 176.8114 132 Q 4.5088 8.7706 118.0490 55.6419 30.1961 176.1266 133 V 4.3232 7.5003 117.5855 60.2103 34.0766 175.6506 134 S 4.5006 8.6604 122.5729 57.8347 65.3024 175.2800 135 T 4.2116 8.3082 120.8574 66.4986 68.2460 176.6320 136 E 4.2172 8.0660 121.1027 58.8458 29.5256 178.9152 137 E 3.9315 8.2396 119.2307 59.1041 29.7035 178.7650 138 A 3.9282 7.8103 120.8781 55.1971 18.0210 179.6673 139 Q 3.8336 8.2637 116.6876 58.8900 28.7483 178.7988 140 A 3.9969 8.1814 121.9015 54.8351 18.2977 179.4429 141 W 3.9453 8.2708 126.8113 60.8503 30.8273 177.9550 142 C 4.1857 8.4090 116.6214 63.0094 27.3764 176.3542 143 R 3.8439 8.0235 118.7188 58.9002 29.7604 178.0266 144 D 4.5661 7.6082 115.6693 54.3454 41.3214 176.4254 145 N 4.5252 7.4309 117.1985 52.4225 39.2997 174.1227 146 G 2.6701 9.2676 106.3800 44.0638 0.0000 173.7791 147 D 4.2218 7.2353 118.9878 55.3604 39.8562 173.0153 148 Y 4.8226 7.2215 114.6974 56.9765 39.5460 175.3165 149 P 4.4920 0.0000 0.0000 63.0315 32.8561 174.5964 150 Y 5.4013 8.2785 123.6871 55.8939 41.5670 174.4264 151 F 4.4162 8.7060 124.5614 55.4405 42.5311 173.9158 152 E 4.6097 8.3618 123.2744 55.7241 30.3974 175.5046 153 T 4.7942 8.8090 115.1696 59.8257 72.9553 173.3201 154 S 4.6122 8.7324 116.2930 56.5944 64.7229 174.5758 155 A 4.0472 8.5299 131.2404 54.9742 18.4994 178.5406 156 K 2.4800 7.5908 116.4053 58.0540 32.2218 176.9407 157 D 4.6109 7.4225 114.0884 52.2197 40.2754 176.6718 158 A 3.7832 8.2305 122.6581 52.2809 17.7467 177.9240 159 T 3.9039 8.1117 113.7872 65.1558 68.9899 174.1474 160 N 4.1694 9.0281 121.4316 54.2682 36.6902 176.4253 161 V 3.4245 7.8431 119.1870 66.1709 31.5553 178.0696 162 A 3.9038 8.0337 119.8232 55.0568 18.2709 179.1649 163 A 3.9905 8.1239 119.9126 54.5653 18.5383 179.6188 164 A 2.5800 7.1790 118.9797 54.7858 18.2121 179.9791 165 F 3.8367 7.2980 116.2559 60.4164 38.8876 177.8593 166 E 3.9424 8.2892 118.7567 59.3164 29.1324 178.9965 167 E 4.0343 8.2009 119.2416 58.8747 29.6490 178.5655 168 A 3.9076 7.6271 120.7656 55.2851 18.4613 179.8290 169 V 3.2822 7.4624 116.5176 65.9113 31.5353 178.0711 170 R 3.8522 7.9287 118.5140 59.6604 29.6634 178.7779 171 R 3.9733 8.0768 117.0140 58.8967 30.3707 179.0205 172 V 3.6924 7.6579 118.2874 66.0489 31.4135 177.9509 173 L 4.1041 7.8154 117.1037 57.8700 41.6084 179.0417 174 A 4.1735 8.0339 118.3552 53.9427 18.3274 178.0490 175 T 4.2705 7.6660 118.7267 63.4840 68.9357 174.2626 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 2 A 8.25 4.23 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 3 G 8.63 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.56 4.35 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.46 7.81 5 S 8.26 5.59 0.00 4.01 3.74 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 0.00 0.00 0.00 0.00 6 S 8.94 4.92 0.00 4.11 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 7 L 8.33 5.27 0.00 1.67 1.57 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.55 4.96 0.00 3.02 2.96 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 9 K 9.50 5.09 0.00 1.90 1.85 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 10 V 9.24 4.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 11 I 8.44 5.12 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.72 0.00 0.00 12 L 8.86 5.11 0.00 1.67 1.53 1.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.75 4.54 0.00 1.30 0.89 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 14 G 6.49 3.77 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 0.00 0.00 0.00 15 D 8.05 4.87 0.00 2.96 2.78 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 16 G 8.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.98 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 0.00 0.00 0.00 18 V 7.24 3.72 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 19 G 8.57 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.54 3.91 0.00 1.81 1.88 0.00 1.54 0.00 0.00 1.51 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 21 S 8.05 4.13 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.10 4.19 0.00 4.20 4.21 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 23 L 8.42 4.10 0.00 2.00 1.93 0.91 0.75 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 24 M 8.28 4.00 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 25 N 8.44 4.32 0.00 2.89 2.83 0.00 0.00 6.67 7.31 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 26 R 8.43 4.15 0.00 2.11 2.20 0.00 3.27 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 27 Y 7.91 4.20 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.60 3.44 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 0.76 0.00 0.00 0.78 0.00 0.00 29 T 7.94 4.34 4.19 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 1.14 0.00 0.00 30 N 8.28 4.31 0.00 2.80 2.87 0.00 0.00 6.91 6.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.80 4.79 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.55 7.81 32 F 8.52 4.92 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.57 4.13 0.00 2.52 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.02 3.64 4.19 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 1.20 0.00 0.00 *39 T 8.26 4.37 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 40 I 7.72 4.18 1.88 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 1.37 1.40 0.95 0.00 0.00 41 G 7.50 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.25 4.12 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 1.00 0.00 0.00 1.07 0.00 0.00 43 E 9.16 4.75 0.00 1.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 44 F 7.82 5.27 0.00 2.32 1.53 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 0.00 0.00 0.00 0.00 45 L 8.85 4.83 0.00 1.52 1.46 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.61 5.59 0.00 2.55 2.72 0.00 0.00 6.66 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.85 4.48 0.00 1.51 1.48 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.10 1.17 7.81 48 D 8.67 5.18 0.00 2.52 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 49 L 8.80 4.64 0.00 1.68 1.79 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.64 5.22 0.00 2.15 1.85 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 2.38 2.61 0.00 51 V 8.75 4.37 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 0.99 0.00 0.00 0.85 0.00 0.00 52 D 9.99 4.45 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 53 G 8.56 4.05 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 0.00 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0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 5.09 0.00 3.92 3.83 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 0.00 0.00 0.00 0.00 89 V 8.89 4.01 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 0.75 0.00 0.00 0.94 0.00 0.00 90 D 8.01 4.71 0.00 2.80 2.78 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 91 D 8.32 4.77 0.00 2.72 2.78 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 92 S 9.85 4.23 0.00 4.10 4.29 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 93 Q 8.26 3.98 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 94 S 8.35 4.97 0.00 4.26 4.30 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 95 F 8.11 3.80 0.00 2.52 3.07 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.49 1.68 7.81 104 E 8.65 4.17 0.00 2.22 2.44 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 2.96 2.82 0.00 105 F 8.74 4.40 0.00 3.29 3.44 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 0.00 106 I 8.31 3.57 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.10 0.97 0.00 0.00 107 Y 8.23 3.97 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 3.79 0.00 3.24 2.74 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 0.00 0.00 0.00 0.00 109 A 8.07 3.88 0.45 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 0.00 0.00 0.00 110 D 7.05 4.10 0.00 2.55 2.52 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 0.00 0.00 0.00 0.00 111 V 7.64 3.61 1.97 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 0.75 0.00 0.00 0.29 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.94 0.00 0.00 129 S 8.69 4.13 0.00 3.97 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 0.00 130 E 8.00 4.22 0.00 1.97 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 2.31 2.39 0.00 131 R 8.18 4.72 0.00 1.79 1.99 0.00 3.17 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 132 Q 8.77 4.51 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 133 V 7.50 4.32 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 -0.15 0.00 0.00 0.78 0.00 0.00 134 S 8.66 4.50 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.31 4.21 4.29 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 1.41 0.00 0.00 136 E 8.07 4.22 0.00 2.00 2.00 0.00 0.00 0.00 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 2.24 0.00 137 E 8.24 3.93 0.00 2.03 1.85 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 1.77 2.26 0.00 138 A 7.81 3.93 0.91 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 0.00 0.00 139 Q 8.26 3.83 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 140 A 8.18 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 3.95 0.00 3.57 3.45 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 0.00 142 C 8.41 4.19 0.00 3.26 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.84 0.00 1.85 1.91 0.00 3.12 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 144 D 7.61 4.57 0.00 2.48 2.51 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 0.00 145 N 7.43 4.53 0.00 1.44 1.80 0.00 0.00 7.03 8.79 0.00 0.00 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 G 9.27 2.67 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 0.00 0.00 0.00 147 D 7.24 4.22 0.00 2.65 2.59 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 0.00 148 Y 7.22 4.82 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.49 0.00 2.30 2.03 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 150 Y 8.28 5.40 0.00 2.95 2.81 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 0.00 151 F 8.71 4.42 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 152 E 8.36 4.61 0.00 1.80 1.80 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 2.08 2.10 0.00 153 T 8.81 4.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 154 S 8.73 4.61 0.00 3.78 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 0.00 155 A 8.53 4.05 1.45 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 0.00 0.00 0.00 156 K 7.59 2.48 0.00 0.79 1.41 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.09 0.66 7.81 157 D 7.42 4.61 0.00 2.71 2.60 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 0.00 158 A 8.23 3.78 1.44 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 0.00 0.00 0.00 159 T 8.11 3.90 4.18 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 1.18 0.00 0.00 160 N 9.03 4.17 0.00 3.04 2.91 0.00 0.00 6.77 7.68 0.00 0.00 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 V 7.84 3.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.03 0.00 0.00 162 A 8.03 3.90 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.12 3.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 7.18 2.58 0.64 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 0.00 0.00 165 F 7.30 3.84 0.00 1.95 2.46 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 0.00 166 E 8.29 3.94 0.00 2.09 1.97 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 2.36 2.38 0.00 167 E 8.20 4.03 0.00 2.23 2.04 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 2.69 2.50 0.00 168 A 7.63 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.46 3.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.69 0.00 0.00 170 R 7.93 3.85 0.00 1.95 2.07 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 171 R 8.08 3.97 0.00 1.91 1.95 0.00 3.43 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 172 V 7.66 3.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.08 0.00 0.00 173 L 7.82 4.10 0.00 1.84 1.76 0.88 0.90 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 0.00 174 A 8.03 4.17 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 0.00 175 T 7.67 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.