NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6980 8.4244 118.1391 52.8515 40.1806 173.1066 7 D 4.4440 8.4044 118.9756 51.3646 41.1687 174.4270 8 P 3.7997 0.0000 0.0000 64.8288 32.2606 176.7155 9 L 4.2358 8.3365 118.1310 55.8222 41.8675 176.1379 10 L 5.0728 7.6948 117.6644 51.6334 45.2206 174.3880 11 P 4.3213 0.0000 0.0000 63.9107 31.6214 177.1286 12 G 3.9174 9.0319 108.2837 45.4111 0.0000 172.3473 13 Y 4.2041 7.5260 119.9990 55.3460 40.3130 174.6370 14 S 4.2807 7.4296 121.7219 56.9691 63.0296 172.8320 15 F 4.6933 8.4939 126.6863 55.5706 41.0139 172.9564 16 N 5.0526 8.8898 122.5521 53.5750 41.7270 174.2106 17 A 4.5430 8.8471 121.3243 53.6780 21.2403 178.4216 18 H 4.9263 8.0357 111.6775 55.0572 29.7922 174.8495 19 L 4.7887 8.8844 125.4776 55.5299 42.7878 176.4569 20 V 4.9008 9.5719 124.4677 61.4260 35.2144 173.8559 21 A 4.6499 8.3551 127.2922 50.4700 22.7162 174.9365 22 G 3.3116 6.2126 104.9530 45.6656 0.0000 171.6354 23 L 4.9540 8.3471 121.1236 53.4116 44.7834 176.0690 24 T 4.2665 8.9659 124.1038 61.2415 69.6621 172.0195 25 P 3.7564 0.0000 0.0000 60.8459 29.7405 174.7059 26 I 3.7671 7.8795 127.1519 62.0137 38.7112 175.2026 27 E 5.2479 8.6120 125.3543 53.9485 33.3013 175.2498 28 A 4.1939 9.0646 126.9828 54.3385 18.7268 177.5495 29 N 4.3502 9.8466 119.1123 53.5695 37.3381 174.7939 30 G 4.1373 8.0100 109.2043 44.1546 0.0000 174.2617 31 Y 4.4079 8.9149 116.3606 58.9385 37.9123 176.6781 32 L 4.1341 7.2674 118.5785 54.3663 42.6894 177.0151 33 D 4.6262 7.8341 120.7002 52.6491 39.1560 174.8468 34 F 5.1808 6.6495 114.9455 55.2573 41.3841 174.6920 35 F 4.6702 9.0192 120.1774 56.9283 40.3604 175.6035 36 I 4.0049 8.7516 123.2876 61.4749 38.2142 175.2143 37 D 5.1075 8.4993 125.6555 52.8927 42.0824 173.5295 38 R 4.6218 9.3238 123.1745 52.5333 30.2747 174.1058 39 P 4.1850 0.0000 0.0000 65.0791 31.7261 178.1662 40 L 4.2255 7.9061 116.3512 53.9943 42.0990 177.7430 41 G 4.0591 7.9639 108.8038 43.6845 0.0000 172.2354 42 M 4.7842 8.1061 116.6981 53.4978 35.1858 176.1101 43 K 4.3141 8.7189 116.9885 56.5151 32.2127 176.6947 44 G 3.7932 7.4616 105.3252 46.0953 0.0000 172.6015 45 Y 4.5702 8.0221 117.5074 57.0106 40.0631 175.2199 46 I 5.3447 8.6873 121.2505 59.6897 41.4860 174.1290 47 L 5.4249 9.4565 128.5255 53.3996 44.8928 174.4213 48 N 5.6577 9.6745 124.5539 51.8274 42.3140 172.3229 49 L 4.9520 8.6443 128.6429 53.4002 44.6490 175.1679 50 T 4.8595 8.6694 124.0458 63.4281 69.0910 175.2407 51 I 4.4136 9.0228 119.7646 61.3957 39.8626 175.9557 52 R 4.4613 7.9239 120.1233 55.7620 34.4234 176.5288 53 G 4.4635 8.8745 108.5299 45.9215 0.0000 172.6270 54 Q 4.6822 8.4508 117.6404 54.3600 33.6940 174.4151 55 G 2.8408 8.1747 109.0433 43.5678 0.0000 172.0557 56 V 4.8403 8.0673 119.8801 59.5857 34.1973 174.5792 57 V 4.8515 9.2567 125.8987 61.2567 33.2501 174.4077 58 K 5.1979 9.4030 127.8045 54.9803 34.7773 176.2070 59 N 4.2392 9.1441 121.9487 53.6057 41.0028 174.5304 60 Q 3.1458 9.7545 128.3042 56.9382 26.2081 175.0733 61 G 3.9637 8.0829 104.2697 45.1516 0.0000 172.8591 62 R 4.6869 7.7382 119.1448 55.0197 32.3206 175.3983 63 E 5.4402 8.7692 120.0119 54.8153 33.8301 174.9121 64 F 4.7939 9.5130 124.9640 56.5472 43.0129 173.3687 65 V 4.3640 7.6812 126.5464 62.0707 32.2891 174.5634 66 C 4.9536 8.4718 123.3272 56.9725 32.0464 172.9645 67 R 5.0224 9.4976 119.7868 53.2155 34.3682 173.2090 68 P 4.4527 0.0000 0.0000 64.7782 31.5351 176.9407 69 G 3.9962 9.0699 112.2041 44.6765 0.0000 173.4328 70 D 4.2324 8.2020 120.6814 53.9885 42.3525 175.4420 71 I 5.0246 8.0929 123.8906 59.5376 40.1268 174.5914 72 L 5.2800 9.4359 126.9099 52.8804 44.9234 175.1398 73 L 4.9319 8.4584 123.8475 53.2383 45.0705 175.0498 74 F 4.8561 9.4123 125.7049 55.0867 41.3343 173.5737 75 P 3.8220 0.0000 0.0000 60.6258 32.8650 174.4761 76 P 4.4095 0.0000 0.0000 64.3027 31.5577 177.5002 77 G 4.0352 8.6660 110.1520 45.6675 0.0000 173.8432 78 E 4.2158 7.7077 120.7749 56.0072 30.9146 176.2745 79 I 4.1863 8.4846 126.2473 61.9577 38.2876 175.2531 80 H 4.7376 8.9439 123.6042 54.6679 30.7947 173.0531 81 H 5.8678 9.1007 124.1546 54.1795 31.6513 171.1506 82 Y 5.3545 7.5041 121.5121 56.0407 41.8608 173.8319 83 G 3.1923 7.8818 106.3616 45.0770 0.0000 172.3416 84 R 4.5475 8.4942 120.3698 56.6219 30.7055 175.9427 85 H 4.2713 8.9991 127.1032 55.5841 30.2649 174.4375 86 P 4.2397 0.0000 0.0000 65.9268 31.1003 177.2651 87 E 4.5538 8.4604 112.6864 55.2092 28.8307 180.1140 88 A 4.9202 8.0374 122.9978 51.0177 21.6333 178.1687 89 R 4.4029 8.5421 117.9905 58.7294 30.9393 175.7006 90 E 5.1403 7.9339 115.0520 55.5632 33.9516 174.6806 91 W 5.7999 9.5656 130.9493 57.0046 33.0480 171.6794 92 Y 4.9600 9.4600 125.2395 56.6046 39.4062 174.4181 93 H 5.1984 8.3526 119.1311 54.0052 32.3199 172.6996 94 Q 4.9182 9.1049 121.0264 54.9986 30.9195 174.6338 95 W 6.1777 8.5671 117.9964 55.5932 32.4677 173.9620 96 V 5.1319 9.4767 120.5053 60.6384 34.3431 173.2101 97 Y 5.4048 10.1928 127.9768 56.3983 40.4785 174.1933 98 F 5.1421 8.1131 120.2621 56.2062 42.0310 172.7296 99 R 4.9151 8.5015 118.5444 53.7026 31.9017 174.7803 100 P 3.7877 0.0000 0.0000 61.6750 32.7223 176.0955 101 R 3.5324 5.8400 117.1080 55.0906 30.8570 177.6088 102 A 3.8843 8.4284 123.5862 55.7467 18.2574 179.0602 103 Y 4.4712 7.4127 109.6888 57.4147 38.5238 176.2682 104 W 3.6232 7.5865 121.6535 58.8064 29.8543 177.9913 105 H 4.0245 7.6287 115.0443 58.8525 28.6635 177.1333 106 E 3.9508 7.9524 119.4373 58.9310 29.5238 177.8173 107 W 4.9191 7.7083 115.7831 57.4743 29.2722 176.5221 108 L 4.5544 7.9914 117.8608 54.4901 41.3213 176.7568 109 N 4.8346 7.8517 118.3209 51.9398 37.5104 173.4247 110 W 5.0740 8.2393 122.4927 53.5261 32.1870 173.8197 111 P 4.4492 0.0000 0.0000 62.9991 31.6041 175.8650 112 S 4.7721 8.7206 120.7935 58.1850 63.6380 175.6068 113 I 3.3453 8.3310 118.4121 63.0369 37.7967 175.8262 114 F 4.5739 7.7392 113.2601 56.6069 40.4871 176.2319 115 A 3.6128 8.5224 125.5203 53.8460 17.6226 177.6558 116 N 5.0247 9.8210 112.4717 54.8999 39.3192 174.0434 117 T 4.2901 8.2163 115.1443 61.7732 69.9842 175.5057 118 G 4.6011 8.6403 114.9117 46.4989 0.0000 171.5182 119 F 5.6385 8.7408 121.0330 56.7494 42.6993 173.2810 120 F 4.7836 9.0446 127.1933 56.4984 42.9602 173.0152 121 R 3.9665 7.5939 125.0432 53.4090 32.1882 173.1298 122 P 3.7128 0.0000 0.0000 61.8793 32.2582 175.9954 123 D 4.5135 8.3340 122.6569 53.3009 40.3275 177.5997 124 E 3.9485 8.8328 118.7466 61.5581 29.4749 178.7627 125 A 4.4031 8.2192 122.4216 55.2629 18.8112 178.9173 *126 H 4.7949 8.4298 115.2794 56.7712 28.1980 179.8054 127 Q 4.2313 7.8258 119.8024 59.8689 28.5715 177.1735 128 P 4.3161 0.0000 0.0000 65.9400 31.2834 178.1432 129 H 4.1647 8.2180 116.3788 59.3775 29.8787 177.2311 130 F 4.0239 8.3675 119.6435 60.5746 38.7300 177.9022 131 S 4.2674 8.6009 115.1649 61.5829 62.6676 176.1656 132 D 4.3454 8.4881 121.0582 57.3583 41.0095 178.1057 133 L 3.9343 8.2421 121.0562 58.0609 42.0689 178.6203 134 F 3.8607 8.9219 121.2402 61.2387 39.2599 177.3229 135 G 3.7290 8.5097 105.4058 47.9686 0.0000 175.6861 136 Q 3.9989 8.1689 120.2886 58.6933 28.6688 178.8985 137 I 3.5889 7.6746 120.8788 64.3053 37.0930 178.4951 138 I 3.6181 7.7855 123.0057 65.0381 36.7374 178.7923 139 N 4.3022 8.1507 118.7522 57.5213 37.7194 178.5349 140 A 4.4383 8.3308 123.7386 54.9908 18.3091 180.0788 141 G 3.6488 8.3842 103.3653 47.4640 0.0000 174.9310 142 Q 4.4940 7.8360 117.7262 55.1271 29.2978 176.2770 143 G 3.9173 7.4295 111.5046 45.4627 0.0000 174.3072 144 E 4.5537 8.4721 113.9629 55.0148 31.5499 177.5437 145 G 3.9316 7.9558 109.7896 46.9769 0.0000 175.4955 146 R 3.7496 8.5193 118.3244 58.6378 29.4947 178.3172 147 Y 4.6307 7.6502 112.4976 58.1129 38.5167 177.5009 148 S 4.1511 8.1774 118.6286 61.8149 62.8567 176.1886 149 E 4.0083 8.1643 121.3048 59.3552 29.3637 178.6022 150 L 4.0939 7.9761 118.5107 57.8692 41.7117 179.3915 151 L 4.0349 8.4367 119.0427 57.5656 41.4612 179.3527 152 A 3.9679 8.3408 121.0132 55.2348 18.3164 179.6372 153 I 3.8213 8.1822 118.7136 64.6659 37.1781 178.1170 154 N 4.4193 8.5957 118.0887 56.8962 38.7622 176.9275 155 L 3.9086 8.3648 120.7652 57.5662 41.5568 179.2686 156 L 3.6233 8.1006 120.7449 57.8291 41.8551 178.6332 157 E 2.8692 7.9991 119.4658 58.7853 29.5574 178.4912 158 Q 3.7206 7.9293 119.7366 58.9575 29.0003 178.0882 159 L 3.8212 7.7873 121.2762 58.2044 42.1730 178.8831 160 L 3.9159 7.7867 119.0667 57.8618 41.4133 179.6353 161 L 3.3795 7.6521 119.0678 57.4472 41.4444 179.6830 162 R 3.7633 8.2519 118.5080 58.9699 29.8031 179.1002 163 R 3.3929 8.1283 118.7022 59.5151 29.7415 178.2569 164 M 3.8401 7.4197 116.9799 58.4966 32.1566 178.4015 165 E 4.0150 8.3074 118.4336 59.2554 29.4479 179.1104 166 A 4.0575 8.1635 119.9503 55.3423 18.6569 179.6361 167 I 3.8291 7.9384 109.7365 63.0463 37.6545 176.3599 168 N 4.6690 7.6352 122.4630 53.3108 38.8460 174.2314 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 6 N 8.42 4.70 0.00 2.81 2.95 0.00 0.00 6.90 7.18 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 7 D 8.40 4.44 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.80 0.00 2.32 0.74 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 9 L 8.34 4.24 0.00 1.83 1.75 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.69 5.07 0.00 1.68 1.60 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.32 0.00 1.99 1.94 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 12 G 9.03 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.53 4.20 0.00 2.86 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 14 S 7.43 4.28 0.00 3.63 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 15 F 8.49 4.69 0.00 2.60 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 16 N 8.89 5.05 0.00 2.62 2.56 0.00 0.00 7.08 7.96 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 17 A 8.85 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.04 4.93 0.00 3.28 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.88 4.79 0.00 1.86 1.74 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.57 4.90 2.87 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 1.22 0.00 0.00 1.44 0.00 0.00 21 A 8.36 4.65 1.03 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 22 G 6.21 3.31 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 0.00 23 L 8.35 4.95 0.00 1.50 1.43 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.97 4.27 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 25 P 0.00 3.76 0.00 1.24 1.20 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 26 I 7.88 3.77 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.25 0.86 0.00 0.00 27 E 8.61 5.25 0.00 1.96 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 0.00 2.58 2.59 0.00 28 A 9.06 4.19 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 29 N 9.85 4.35 0.00 2.91 3.05 0.00 0.00 6.98 7.53 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 30 G 8.01 4.14 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 0.00 0.00 0.00 31 Y 8.91 4.41 0.00 3.20 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 32 L 7.27 4.13 0.00 1.07 1.06 0.50 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.83 4.63 0.00 2.89 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 34 F 6.65 5.18 0.00 3.19 3.04 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 35 F 9.02 4.67 0.00 2.98 3.15 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 0.00 36 I 8.75 4.00 0.95 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 0.92 0.41 0.37 0.00 0.00 37 D 8.50 5.11 0.00 2.68 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 38 R 9.32 4.62 0.00 1.62 1.73 0.00 2.86 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 39 P 0.00 4.18 0.00 2.15 2.14 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 40 L 7.91 4.23 0.00 1.64 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.96 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.11 4.78 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 43 K 8.72 4.31 0.00 1.95 1.93 0.00 2.07 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 44 G 7.46 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.02 4.57 0.00 1.43 2.22 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 46 I 8.69 5.34 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 1.17 0.00 0.00 47 L 9.46 5.42 0.00 2.17 1.97 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.67 5.66 0.00 2.92 2.85 0.00 0.00 6.34 6.66 0.00 0.00 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 8.64 4.95 0.00 0.67 0.18 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.67 4.86 4.60 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 1.57 0.00 0.00 51 I 9.02 4.41 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.92 0.00 0.00 52 R 7.92 4.46 0.00 1.51 1.72 0.00 2.67 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 53 G 8.87 4.46 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 0.00 0.00 0.00 54 Q 8.45 4.68 0.00 1.84 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 55 G 8.17 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 0.00 0.00 0.00 56 V 8.07 4.84 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 0.86 0.00 0.00 0.97 0.00 0.00 57 V 9.26 4.85 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 1.61 0.00 0.00 1.17 0.00 0.00 58 K 9.40 5.20 0.00 1.67 1.68 0.00 1.54 0.00 0.00 1.54 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 59 N 9.14 4.24 0.00 2.10 1.42 0.00 0.00 7.34 7.63 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 60 Q 9.75 3.15 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 61 G 8.08 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 62 R 7.74 4.69 0.00 1.53 2.00 0.00 3.17 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 63 E 8.77 5.44 0.00 1.86 1.87 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 2.26 2.31 0.00 64 F 9.51 4.79 0.00 3.01 2.86 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 65 V 7.68 4.36 1.75 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 0.68 0.00 0.00 0.88 0.00 0.00 66 C 8.47 4.95 0.00 3.24 3.31 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 67 R 9.50 5.02 0.00 1.69 1.82 0.00 3.08 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 68 P 0.00 4.45 0.00 2.04 2.03 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 69 G 9.07 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 0.00 0.00 0.00 70 D 8.20 4.23 0.00 2.79 2.57 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 71 I 8.09 5.02 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 1.37 0.00 0.00 72 L 9.44 5.28 0.00 1.72 1.34 1.16 0.53 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 73 L 8.46 4.93 0.00 0.27 0.84 0.85 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.41 4.86 0.00 3.00 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 75 P 0.00 3.82 0.00 1.89 1.70 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.11 0.00 76 P 0.00 4.41 0.00 1.85 1.86 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 77 G 8.67 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 78 E 7.71 4.22 0.00 2.27 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 2.46 2.55 0.00 79 I 8.48 4.19 1.96 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 1.50 0.68 0.98 0.00 0.00 80 H 8.94 4.74 0.00 2.88 2.82 0.00 5.58 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 9.10 5.87 0.00 3.18 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.50 5.35 0.00 3.11 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 83 G 7.88 3.19 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 0.00 0.00 0.00 84 R 8.49 4.55 0.00 1.99 1.91 0.00 3.55 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 85 H 9.00 4.27 0.00 3.14 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.25 2.25 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 87 E 8.46 4.55 0.00 2.00 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 2.15 1.85 0.00 88 A 8.04 4.92 1.34 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 0.00 0.00 89 R 8.54 4.40 0.00 1.95 2.24 0.00 2.99 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 90 E 7.93 5.14 0.00 2.49 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 2.25 2.34 0.00 91 W 9.57 5.80 0.00 3.58 3.17 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 0.00 0.00 0.00 0.00 92 Y 9.46 4.96 0.00 2.94 2.82 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 0.00 0.00 0.00 0.00 93 H 8.35 5.20 0.00 3.13 2.56 0.00 5.25 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 9.10 4.92 0.00 1.69 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 95 W 8.57 6.18 0.00 3.57 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.48 5.13 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 0.76 0.00 0.00 1.06 0.00 0.00 97 Y 10.19 5.40 0.00 3.24 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 98 F 8.11 5.14 0.00 3.16 3.17 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 0.00 0.00 0.00 0.00 99 R 8.50 4.92 0.00 1.66 1.82 0.00 3.37 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 100 P 0.00 3.79 0.00 1.91 2.11 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 101 R 5.84 3.53 0.00 0.67 1.02 0.00 3.15 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 102 A 8.43 3.88 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 0.00 103 Y 7.41 4.47 0.00 2.94 3.02 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 0.00 104 W 7.59 3.62 0.00 3.16 3.04 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 0.00 105 H 7.63 4.02 0.00 3.25 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.95 3.95 0.00 1.95 1.64 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 2.63 2.45 0.00 107 W 7.71 4.92 0.00 3.52 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 0.00 108 L 7.99 4.55 0.00 1.76 1.60 0.43 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.85 4.83 0.00 2.85 3.07 0.00 0.00 6.95 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 0.00 110 W 8.24 5.07 0.00 3.21 3.05 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 0.00 0.00 111 P 0.00 4.45 0.00 2.11 2.00 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 112 S 8.72 4.77 0.00 3.78 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 0.00 0.00 0.00 0.00 0.00 113 I 8.33 3.35 0.64 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 -0.16 0.00 0.00 114 F 7.74 4.57 0.00 3.13 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 0.00 115 A 8.52 3.61 1.28 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 132 D 8.49 4.35 0.00 2.79 2.99 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 0.00 133 L 8.24 3.93 0.00 1.78 1.80 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.92 3.86 0.00 3.41 3.31 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 0.00 135 G 8.51 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 0.00 136 Q 8.17 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 137 I 7.67 3.59 1.67 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.68 0.00 0.00 138 I 7.79 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.82 0.81 0.00 0.00 139 N 8.15 4.30 0.00 2.81 2.74 0.00 0.00 7.11 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 0.00 140 A 8.33 4.44 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 G 8.38 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.84 4.49 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 143 G 7.43 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.47 4.55 0.00 1.97 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 0.00 2.12 1.83 0.00 145 G 7.96 3.93 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 0.00 0.00 0.00 146 R 8.52 3.75 0.00 1.84 1.87 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 147 Y 7.65 4.63 0.00 3.07 3.04 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 0.00 148 S 8.18 4.15 0.00 4.03 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 0.00 149 E 8.16 4.01 0.00 2.08 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 2.46 2.50 0.00 150 L 7.98 4.09 0.00 2.04 1.83 1.08 0.74 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 0.00 151 L 8.44 4.03 0.00 1.95 1.74 0.98 1.20 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 0.00 152 A 8.34 3.97 1.42 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 0.00 153 I 8.18 3.82 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 1.06 0.00 0.00 154 N 8.60 4.42 0.00 2.86 3.09 0.00 0.00 7.28 6.57 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 0.00 155 L 8.36 3.91 0.00 1.74 1.60 0.89 0.35 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 0.00 156 L 8.10 3.62 0.00 1.62 1.70 0.43 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.00 2.87 0.00 2.23 2.12 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 2.25 2.33 0.00 158 Q 7.93 3.72 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 159 L 7.79 3.82 0.00 1.63 1.68 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.79 3.92 0.00 1.53 1.70 0.38 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.65 3.38 0.00 1.48 1.29 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.25 3.76 0.00 1.72 1.58 0.00 2.88 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.29 0.00 163 R 8.13 3.39 0.00 0.69 1.57 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 164 M 7.42 3.84 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.62 0.00 165 E 8.31 4.02 0.00 2.14 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 2.23 2.32 0.00 166 A 8.16 4.06 1.56 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 0.00 0.00 167 I 7.94 3.83 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.58 0.89 0.00 0.00 168 N 7.64 4.67 0.00 2.79 2.72 0.00 0.00 6.82 8.75 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 * Residues marked with a * may have inaccurate shift predictions.