NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6544 8.2227 120.2005 53.8452 42.7088 175.3643 3 F 4.0305 9.0286 130.2588 60.4999 39.0856 175.8787 4 L 3.3865 8.5413 117.2349 56.7614 41.9119 178.1984 5 R 4.4576 7.8617 116.8124 57.0865 30.7901 177.4991 6 S 4.5166 7.6426 113.9100 56.9442 63.4588 173.7989 7 L 3.4519 7.1475 122.9260 55.3981 41.6683 176.4279 8 D 4.5622 7.9950 123.2393 52.4006 40.5615 174.5183 9 W 4.7012 8.3439 125.6777 55.9092 30.5919 175.8217 10 T 4.6699 8.9624 121.6925 61.5327 70.3637 173.5675 11 Q 3.7693 8.9390 128.8187 56.5108 29.0570 175.4452 12 V 4.1023 8.3480 119.6869 62.4345 33.3744 175.8847 13 I 4.4152 6.9374 116.9280 58.2912 41.1429 173.0784 14 A 3.8976 8.4491 126.3629 53.4737 18.0492 177.7444 15 G 3.8775 8.7608 109.8796 46.3092 0.0000 171.7162 16 Q 4.7976 8.0977 118.9118 53.8901 32.1734 174.1886 17 Y 5.2438 8.8200 121.1104 56.1088 42.1476 174.7562 18 V 5.2427 8.9905 121.5235 61.3357 35.0847 174.5011 19 S 4.7669 9.0102 120.2927 56.0995 66.6455 173.1652 20 N 4.9986 7.9141 115.5536 51.4496 38.8371 171.8266 21 P 4.5873 0.0000 0.0000 62.6602 32.8959 176.3166 22 R 4.8026 8.1346 117.2049 54.7302 32.6933 175.2029 23 F 4.6551 8.0461 116.8909 56.2480 41.1023 172.4046 24 N 4.5884 8.4953 117.3845 52.6217 39.2886 176.2427 25 I 3.8834 8.3430 125.8638 64.6990 37.3706 178.0219 26 S 4.8423 7.8863 110.6106 58.8700 63.4024 174.7412 27 D 4.3976 8.1855 121.3095 56.7879 40.8284 176.4006 28 Y 4.5528 8.0342 113.6618 57.0462 40.5313 175.1753 29 F 5.4685 8.6925 117.2418 55.5503 43.9906 173.3047 30 E 4.6759 9.7273 122.4591 55.2719 31.2740 174.7945 31 I 4.7450 8.4122 127.5043 60.2518 38.8982 175.2915 32 V 4.2619 8.6675 128.0148 61.0552 32.6522 175.1434 33 R 4.6704 8.5862 127.0637 56.2846 30.7702 176.3431 34 Q 4.6916 9.0749 120.6271 52.9823 32.1706 173.9583 35 P 4.3069 0.0000 0.0000 63.4120 31.8105 176.1788 36 G 4.0482 8.4192 108.4344 45.9700 0.0000 173.5096 37 D 4.8089 7.8664 120.4532 51.5719 41.7264 176.1703 38 G 4.2886 8.2142 105.4222 45.9268 0.0000 174.5650 39 N 4.9438 8.7960 117.0381 52.8718 38.8864 176.2092 40 C 4.0906 8.0681 117.8092 61.4441 29.4612 175.6168 41 F 3.7193 8.1323 122.4073 61.3560 38.9590 176.6293 42 Y 3.9492 7.7285 115.7435 60.9825 37.6904 177.4823 43 H 4.2391 8.3061 117.3938 59.1658 28.9116 177.8924 44 S 4.0815 8.0603 116.6247 61.6453 62.7665 176.8903 45 I 3.6170 7.2571 121.9463 64.1450 36.7050 178.2271 46 A 4.0349 8.0798 121.6314 55.3045 18.0072 178.9425 47 E 3.8735 8.1623 116.7384 59.2427 29.7015 178.3174 48 L 4.5968 7.5522 115.1729 54.8385 42.4887 176.8898 49 T 4.5739 7.6985 106.3699 60.7577 70.4063 173.4247 50 M 4.6878 8.1937 122.5756 52.6207 33.8412 174.0371 51 P 4.3677 0.0000 0.0000 63.6387 32.0760 175.4493 52 N 4.2226 8.8233 115.8413 53.7815 36.1949 174.7437 53 K 4.0341 8.2335 117.7281 56.9935 32.9906 175.2642 54 T 4.8041 9.3507 115.0794 59.6891 71.8185 174.1279 55 D 4.6666 8.7367 119.2900 56.2356 40.7950 176.7847 56 H 5.0422 8.2066 115.9651 55.7276 30.6204 176.4310 57 S 4.2459 8.1830 116.8273 61.5284 62.5098 175.7063 58 Y 4.2594 8.3686 120.1452 60.6494 37.2616 178.1566 59 H 3.6463 7.1143 117.4231 58.9686 28.6326 176.9438 60 Y 4.2276 8.2072 121.1786 60.7085 38.6294 177.9888 61 I 3.5849 7.6587 120.4161 64.0821 37.2839 178.3840 62 K 3.7863 7.9477 119.6235 59.0744 31.7634 179.3293 63 R 3.8304 7.8177 119.1474 59.4420 29.9812 178.6050 64 L 3.8911 7.8493 118.8984 58.0513 41.4576 179.6866 65 T 4.0770 7.9462 115.8065 66.3283 68.3325 176.4873 66 E 3.9096 8.2458 121.3634 59.3269 29.5650 179.0015 67 S 4.0201 8.0226 114.8984 61.5379 62.8735 176.1372 68 A 4.3489 8.6286 124.9471 54.7253 18.1180 179.5240 69 A 4.0565 8.3202 118.8194 55.5165 18.2686 179.8657 70 R 3.8874 7.7984 115.4862 59.1511 30.1215 178.6949 71 K 4.0254 7.1755 115.4563 57.9902 32.7695 177.7014 72 Y 4.7886 7.7916 115.5080 58.6247 39.6157 177.1931 73 Y 4.0872 8.0944 120.9581 61.1650 38.5519 178.4886 74 Q 4.0890 8.2566 116.6761 57.9250 28.7660 176.9455 75 E 4.5983 7.9242 117.4345 55.7579 30.7665 175.0606 76 E 4.3641 7.8768 119.9652 54.7117 30.5149 175.3646 77 P 4.1634 0.0000 0.0000 65.7915 31.4969 178.3047 78 E 3.9147 8.1858 116.6774 58.6570 29.3411 178.2074 79 A 3.9004 7.8495 120.5519 54.5956 17.9951 179.5700 80 R 3.8263 7.7305 116.2652 58.9790 30.1192 178.6514 81 L 4.1653 7.6079 118.2050 57.1947 41.7517 179.1771 82 V 3.8022 7.6169 118.4301 64.4500 31.4169 177.5045 83 G 4.1222 7.9287 106.5059 45.6209 0.0000 174.0668 84 L 4.2777 7.3944 118.7169 54.1884 42.4404 177.7055 85 S 4.4796 8.4523 116.2083 58.0260 65.0343 174.9665 86 L 3.5827 8.6670 124.2598 58.7354 41.9220 179.3144 87 E 4.0043 8.1387 117.6547 59.3039 29.2865 178.9531 88 D 4.4304 8.1357 119.1124 57.2497 40.8891 177.8855 89 Y 4.1006 8.4371 120.4335 60.9117 38.6483 178.4700 90 L 3.5435 7.7707 119.7038 57.2719 41.4294 179.3646 91 K 3.8218 7.2709 117.6773 59.3816 32.4335 178.5759 92 R 3.9299 7.5386 119.0304 59.5370 29.8106 178.0477 93 M 3.8532 7.5382 116.9332 58.5372 32.2696 177.4461 94 L 4.2123 7.7293 115.6641 54.4148 41.8453 177.3733 95 S 4.3851 7.2469 116.6026 57.5513 63.6517 173.2830 96 D 4.4706 8.5190 122.5515 55.9354 41.2140 175.6847 97 N 4.3285 8.9172 121.3322 54.1982 36.2498 172.9481 98 E 4.4797 7.8032 118.2542 54.7941 30.3627 176.3386 99 W 4.6307 8.9047 126.6954 57.0606 29.6610 176.5151 100 G 3.4296 8.4973 112.2602 45.0500 0.0000 171.5182 101 S 4.3568 6.4058 112.0815 56.4695 66.0949 176.7380 102 T 3.5848 8.1737 110.2614 64.8263 67.9006 175.7682 103 L 3.8181 7.6465 122.5473 58.2384 42.0758 178.9460 104 E 4.0225 7.8852 117.6406 59.1839 29.4112 179.0528 105 A 3.9535 7.5565 120.9266 54.9963 17.9271 179.6237 106 S 3.7564 7.3049 111.4555 61.8407 62.5111 176.4067 107 M 4.1193 7.7431 120.8737 58.3187 31.6531 178.8286 108 L 4.0533 8.3260 119.3356 57.4750 41.7536 179.1678 109 A 4.0639 8.0066 120.8972 55.1649 17.8492 179.9435 110 K 3.7994 7.5743 115.6214 59.4242 32.1841 179.3023 111 E 4.1312 8.3577 120.0365 59.5099 29.6633 178.1327 112 M 4.3004 8.6966 115.7530 54.9697 32.7914 176.0338 113 G 4.0100 7.4948 106.2980 46.5784 0.0000 172.4442 114 I 4.7783 7.7125 109.3898 59.3240 41.8277 175.6395 115 T 4.7502 8.3347 118.6896 62.0820 70.8399 173.7112 116 I 4.8883 8.6702 126.8031 59.5552 40.2299 174.4363 117 I 4.7316 8.4845 127.7641 59.4960 39.9884 174.5999 118 I 4.7297 8.6458 128.4121 59.6616 39.1266 174.9148 119 W 5.1373 9.5219 129.1184 55.8443 30.3301 175.4043 120 T 4.9358 8.9584 120.9549 60.8879 68.3288 173.4576 121 V 5.0640 8.3295 123.0846 59.0562 35.6852 176.7825 *124 S 4.1514 8.4322 112.9485 59.2706 64.4329 175.6630 125 D 4.6782 8.2314 120.4626 54.3930 38.7481 172.8179 126 E 4.4982 7.5040 121.2297 54.2102 30.6425 175.1217 127 V 3.9680 7.3704 125.8199 63.1045 32.2047 175.1226 128 E 4.5204 8.9826 126.6219 58.2641 30.7038 176.2529 129 A 4.8874 7.8413 118.0892 50.9455 22.8652 175.2145 130 G 4.0039 9.1340 107.4915 44.2539 0.0000 172.3305 131 I 5.0628 8.3273 124.2400 59.0346 40.5478 174.3257 132 K 4.5914 8.9875 128.3712 54.3932 34.9701 174.5484 133 F 4.8832 9.3979 126.9688 59.1479 40.6117 174.6056 134 G 4.2475 8.0697 109.6160 44.2531 0.0000 172.5713 135 D 4.4539 8.3705 117.6419 53.9601 41.5775 177.2122 136 G 3.7303 8.0436 109.3515 45.4402 0.0000 171.9782 137 D 4.7848 7.8195 118.5078 50.7278 41.3351 177.7350 138 V 3.7328 8.2855 117.9561 64.7405 31.1829 178.3461 139 F 4.5262 8.1195 118.2173 59.4523 38.9994 176.2791 140 T 4.3550 8.0468 109.1579 62.3130 69.8072 175.0096 141 A 4.3743 7.2318 123.7035 51.7214 19.7207 177.5143 142 V 4.0195 9.1868 120.6275 62.1463 32.5785 174.5906 143 N 5.4344 8.7785 126.3340 52.1318 40.4118 174.2495 144 L 5.2069 9.0852 123.7725 52.8125 45.5306 175.1196 145 L 5.0596 9.0511 125.2726 53.8803 44.1576 174.3658 146 H 5.0985 9.5284 127.8707 54.5563 31.4677 173.5431 147 S 4.6616 8.4761 120.4405 56.9049 66.6236 174.7356 148 G 3.7949 9.2590 107.5378 45.6999 0.0000 173.5956 149 Q 3.3991 7.9805 115.0470 56.5447 26.3018 174.5615 150 T 4.1424 7.8835 103.3223 61.8020 70.7486 172.6534 151 H 4.5008 7.2399 120.7891 55.1955 33.3568 171.8409 152 F 5.4757 8.3619 123.0628 55.9209 41.5578 174.1883 153 D 5.1925 9.4241 121.2344 51.3861 45.3541 174.4156 154 A 4.9339 8.5029 120.9340 50.9646 20.9758 176.3913 155 L 5.3291 8.7489 119.8228 53.0017 45.3456 176.4682 156 R 4.8732 8.9260 120.4452 54.1758 33.6245 175.1394 157 I 4.0682 8.9126 124.7667 61.5670 38.0287 176.0391 158 L 4.2115 8.9271 126.1901 54.1230 42.2597 176.3968 159 P 4.2336 0.0000 0.0000 65.9760 31.3646 177.8174 160 Q 3.9201 7.7663 113.5286 57.4759 29.0006 175.8811 161 F 4.6942 8.1464 122.7459 57.6684 39.2946 175.0249 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 D 8.22 4.65 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 3 F 9.03 4.03 0.00 3.14 2.89 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 0.00 0.00 0.00 4 L 8.54 3.39 0.00 1.78 1.20 0.59 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.86 4.46 0.00 2.01 2.02 0.00 3.14 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 6 S 7.64 4.52 0.00 3.96 4.02 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 7 L 7.15 3.45 0.00 1.57 1.10 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.99 4.56 0.00 2.50 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 9 W 8.34 4.70 0.00 3.14 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 10 T 8.96 4.67 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 1.24 0.00 0.00 11 Q 8.94 3.77 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 12 V 8.35 4.10 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 0.69 0.00 0.00 0.87 0.00 0.00 13 I 6.94 4.42 1.80 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 1.28 1.34 0.82 0.00 0.00 14 A 8.45 3.90 1.21 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 0.00 0.00 15 G 8.76 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 0.00 0.00 0.00 16 Q 8.10 4.80 0.00 1.71 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.66 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 17 Y 8.82 5.24 0.00 2.54 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 18 V 8.99 5.24 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 1.14 0.00 0.00 0.92 0.00 0.00 19 S 9.01 4.77 0.00 3.12 2.63 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 20 N 7.91 5.00 0.00 2.66 2.76 0.00 0.00 6.97 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 21 P 0.00 4.59 0.00 2.50 2.01 0.00 3.95 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 22 R 8.13 4.80 0.00 1.74 1.89 0.00 3.28 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 23 F 8.05 4.66 0.00 3.05 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 24 N 8.50 4.59 0.00 3.01 2.80 0.00 0.00 6.79 7.42 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 25 I 8.34 3.88 1.85 0.00 0.00 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 1.06 0.94 0.96 0.00 0.00 26 S 7.89 4.84 0.00 4.02 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 27 D 8.19 4.40 0.00 2.97 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 0.00 0.00 0.00 28 Y 8.03 4.55 0.00 2.56 2.25 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 29 F 8.69 5.47 0.00 3.14 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 30 E 9.73 4.68 0.00 2.10 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 2.32 2.34 0.00 31 I 8.41 4.74 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.94 0.00 0.00 32 V 8.67 4.26 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 1.00 0.00 0.00 0.99 0.00 0.00 33 R 8.59 4.67 0.00 1.75 1.86 0.00 3.37 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 34 Q 9.07 4.69 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 35 P 0.00 4.31 0.00 1.87 1.94 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 36 G 8.42 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 0.00 0.00 0.00 0.00 0.00 37 D 7.87 4.81 0.00 2.99 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 38 G 8.21 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 0.00 0.00 0.00 0.00 39 N 8.80 4.94 0.00 2.33 1.90 0.00 0.00 6.74 7.22 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 40 C 8.07 4.09 0.00 3.22 3.32 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 41 F 8.13 3.72 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 3.95 0.00 3.30 3.06 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 43 H 8.31 4.24 0.00 3.31 3.55 0.00 5.62 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 44 S 8.06 4.08 0.00 3.77 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 45 I 7.26 3.62 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.20 0.81 0.00 0.00 46 A 8.08 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.87 0.00 2.07 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 2.36 2.46 0.00 48 L 7.55 4.60 0.00 1.68 1.71 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.70 4.57 4.28 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 1.22 0.00 0.00 50 M 8.19 4.69 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 51 P 0.00 4.37 0.00 2.04 2.00 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 52 N 8.82 4.22 0.00 2.86 2.89 0.00 0.00 6.90 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 53 K 8.23 4.03 0.00 1.95 1.76 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.45 7.81 54 T 9.35 4.80 4.33 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 1.32 0.00 0.00 55 D 8.74 4.67 0.00 2.60 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 5.04 0.00 3.30 3.36 0.00 5.82 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 57 S 8.18 4.25 0.00 4.06 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 58 Y 8.37 4.26 0.00 3.13 3.12 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 59 H 7.11 3.65 0.00 3.06 3.21 0.00 5.62 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 60 Y 8.21 4.23 0.00 2.98 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 61 I 7.66 3.58 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.30 1.01 0.00 0.00 62 K 7.95 3.79 0.00 1.75 1.57 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.68 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 1.08 7.81 63 R 7.82 3.83 0.00 1.87 2.02 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 64 L 7.85 3.89 0.00 1.72 1.58 0.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.95 4.08 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 1.43 0.00 0.00 66 E 8.25 3.91 0.00 2.00 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 0.00 2.28 2.31 0.00 67 S 8.02 4.02 0.00 4.04 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 68 A 8.63 4.35 1.61 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 69 A 8.32 4.06 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 0.00 0.00 70 R 7.80 3.89 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 71 K 7.18 4.03 0.00 0.79 1.10 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.21 1.38 7.81 72 Y 7.79 4.79 0.00 3.02 3.03 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 73 Y 8.09 4.09 0.00 3.02 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 74 Q 8.26 4.09 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 75 E 7.92 4.60 0.00 1.93 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 2.21 2.23 0.00 76 E 7.88 4.36 0.00 1.86 1.79 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 2.47 2.42 0.00 77 P 0.00 4.16 0.00 2.12 2.07 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 78 E 8.19 3.91 0.00 2.04 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 2.36 2.38 0.00 79 A 7.85 3.90 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.73 3.83 0.00 1.83 1.96 0.00 3.12 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 81 L 7.61 4.17 0.00 1.80 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.62 3.80 2.33 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 1.29 0.00 0.00 1.02 0.00 0.00 83 G 7.93 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 84 L 7.39 4.28 0.00 1.83 1.79 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.45 4.48 0.00 4.10 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 0.00 0.00 86 L 8.67 3.58 0.00 1.91 1.77 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.14 4.00 0.00 2.05 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 2.39 2.40 0.00 88 D 8.14 4.43 0.00 2.96 2.73 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 89 Y 8.44 4.10 0.00 2.79 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 90 L 7.77 3.54 0.00 1.64 1.57 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.27 3.82 0.00 1.75 1.77 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 92 R 7.54 3.93 0.00 1.80 1.90 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 93 M 7.54 3.85 0.00 1.52 1.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 94 L 7.73 4.21 0.00 1.59 1.61 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.25 4.39 0.00 4.05 3.76 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 0.00 0.00 0.00 96 D 8.52 4.47 0.00 2.66 2.61 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 97 N 8.92 4.33 0.00 3.01 2.96 0.00 0.00 6.76 7.66 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 98 E 7.80 4.48 0.00 2.05 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 0.00 2.47 2.41 0.00 99 W 8.90 4.63 0.00 3.36 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 0.00 100 G 8.50 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 6.41 4.36 0.00 3.93 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 0.00 102 T 8.17 3.58 4.47 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 1.41 0.00 0.00 103 L 7.65 3.82 0.00 1.69 1.68 0.86 1.23 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 0.00 104 E 7.89 4.02 0.00 1.68 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 0.00 2.61 2.66 0.00 105 A 7.56 3.95 0.90 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 0.00 0.00 106 S 7.30 3.76 0.00 3.71 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 0.00 107 M 7.74 4.12 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 108 L 8.33 4.05 0.00 1.79 1.72 1.11 1.16 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 0.00 109 A 8.01 4.06 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 0.00 110 K 7.57 3.80 0.00 1.36 1.27 0.00 0.69 0.00 0.00 1.24 0.00 0.00 2.19 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.21 1.28 7.81 111 E 8.36 4.13 0.00 2.33 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 2.53 2.36 0.00 112 M 8.70 4.30 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 113 G 7.49 4.01 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 0.00 0.89 0.00 0.00 *124 S 8.43 4.15 0.00 4.00 4.09 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 0.00 125 D 8.23 4.68 0.00 3.01 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 0.00 126 E 7.50 4.50 0.00 1.97 1.79 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 2.16 2.14 0.00 127 V 7.37 3.97 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 1.03 0.00 0.00 -0.17 0.00 0.00 128 E 8.98 4.52 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 2.28 2.25 0.00 129 A 7.84 4.89 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 0.00 130 G 9.13 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 0.00 131 I 8.33 5.06 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.52 0.00 0.00 132 K 8.99 4.59 0.00 0.79 0.74 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.91 7.81 133 F 9.40 4.88 0.00 2.88 2.94 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 0.00 134 G 8.07 4.25 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 0.00 135 D 8.37 4.45 0.00 2.63 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 0.00 136 G 8.04 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 0.00 137 D 7.82 4.78 0.00 3.14 2.83 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 0.00 138 V 8.29 3.73 2.29 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 0.16 0.00 0.00 1.22 0.00 0.00 139 F 8.12 4.53 0.00 3.33 3.16 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 0.00 0.00 0.00 0.00 140 T 8.05 4.35 4.28 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 1.38 0.00 0.00 141 A 7.23 4.37 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 0.00 142 V 9.19 4.02 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 0.89 0.00 0.00 0.94 0.00 0.00 143 N 8.78 5.43 0.00 2.80 2.81 0.00 0.00 6.87 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 0.00 144 L 9.09 5.21 0.00 1.81 1.73 0.83 -0.13 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 0.00 145 L 9.05 5.06 0.00 1.76 1.58 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.53 5.10 0.00 3.14 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.48 4.66 0.00 3.76 3.82 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 0.00 148 G 9.26 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 0.00 149 Q 7.98 3.40 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 150 T 7.88 4.14 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 1.30 0.00 0.00 151 H 7.24 4.50 0.00 3.03 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.36 5.48 0.00 2.87 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 0.00 153 D 9.42 5.19 0.00 2.59 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 0.00 154 A 8.50 4.93 1.26 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 0.00 0.00 155 L 8.75 5.33 0.00 1.44 1.36 0.47 1.04 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 0.00 156 R 8.93 4.87 0.00 1.86 1.91 0.00 3.39 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 157 I 8.91 4.07 2.00 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 0.99 0.68 1.01 0.00 0.00 158 L 8.93 4.21 0.00 1.84 1.81 1.07 0.94 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 0.00 159 P 0.00 4.23 0.00 1.98 2.14 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 160 Q 7.77 3.92 0.00 1.67 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.18 0.00 161 F 8.15 4.69 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.