NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5071 8.1876 115.6452 57.7728 30.7090 174.4787 11 P 3.9570 0.0000 0.0000 63.3597 32.2699 173.9399 12 L 4.9942 8.2972 123.0586 53.8226 45.1326 176.0387 13 M 5.0462 9.5877 125.8622 53.8162 36.3594 174.0875 14 V 4.8905 8.1965 120.8979 61.1089 35.7026 173.8315 15 K 4.9742 9.3062 127.8867 54.6654 35.7343 174.8634 16 V 4.8529 8.6392 126.3335 61.0967 34.7304 174.1893 17 L 5.1112 9.2299 126.7773 52.9109 46.0700 174.8703 18 D 5.3491 8.8552 120.9336 52.8060 42.2708 176.6838 19 A 4.2435 9.2745 129.0952 54.2165 18.5866 178.8251 20 V 3.8244 8.5999 114.8587 65.3016 31.8789 176.8572 21 R 4.4441 8.9087 116.7427 55.3400 31.1533 176.1422 22 G 3.8521 8.5382 105.9592 46.2999 0.0000 173.0027 23 S 4.7891 7.6436 111.8692 55.4926 67.2766 171.3638 24 P 4.5610 0.0000 0.0000 62.6690 31.9707 177.0251 25 A 4.2538 8.4620 126.0496 50.6927 18.2172 176.7872 26 I 4.1336 8.1167 114.0966 61.2774 39.5590 175.3185 27 N 4.2139 8.5788 119.3442 54.5461 36.4728 174.2064 28 V 4.2902 7.7927 117.9904 61.5066 33.4534 174.8400 29 A 4.6962 8.4657 129.1754 51.8041 20.4748 176.4425 30 V 4.7361 8.5971 120.5244 61.9948 35.2453 173.2367 31 H 5.3563 9.2418 124.7581 53.0169 32.2293 173.1252 32 V 4.7461 8.9894 122.7017 61.2658 33.8366 174.4483 33 F 5.1803 9.2994 126.7501 55.7915 42.2841 174.6107 34 R 4.3200 9.4464 122.1557 53.9122 32.5541 174.4442 35 K 3.9147 9.2059 128.8582 56.3505 32.0753 176.5846 36 A 4.1554 8.8366 131.6307 51.2315 19.3875 177.4559 37 A 3.9953 8.5600 121.3902 55.5690 18.3186 178.7439 38 D 4.7202 7.4381 111.5375 54.3922 41.3719 177.8659 39 D 4.5928 8.4525 119.8837 53.8065 40.9132 173.8014 40 T 4.3086 6.8456 113.7955 61.5605 71.8982 173.9221 41 W 5.1442 8.3288 123.1631 55.9685 29.4685 175.8910 42 E 4.7905 9.3463 126.2452 54.3471 30.9639 174.4622 43 P 4.4534 0.0000 0.0000 63.4417 31.3186 175.2132 44 F 4.8388 9.4252 127.7889 59.4776 41.1501 175.2319 45 A 4.5148 7.5763 116.8580 51.4502 22.3398 175.2546 46 S 4.7406 7.9554 114.0494 57.4885 68.1220 173.1840 47 G 4.0028 7.9748 107.7192 46.1843 0.0000 172.1393 48 K 5.2309 8.4503 118.8895 54.1445 35.0115 177.0134 49 T 4.1797 8.9631 115.6381 62.0406 70.2123 174.7996 50 S 4.9242 8.4716 118.2929 57.1231 65.3737 174.4164 51 E 3.9039 8.6838 118.6838 59.8667 29.1000 178.2235 52 S 4.2071 7.8885 110.4489 58.4405 62.8290 174.3542 53 G 3.8286 8.4987 108.2138 46.8786 0.0000 172.9599 54 E 4.9788 7.7793 117.8016 53.9620 32.3977 175.1960 55 L 4.7104 8.4434 122.1089 53.9986 44.0589 176.3512 56 H 4.5140 8.5342 123.6786 57.5359 29.8823 177.5723 57 G 3.7616 8.3307 105.0741 47.2897 0.0000 174.7858 58 L 3.1124 6.7211 114.6506 57.1644 42.2707 178.7757 59 T 4.5831 7.4250 116.3165 61.1790 71.6113 172.2911 60 T 4.7269 7.9526 115.2193 59.8920 70.4994 174.6683 61 E 3.9949 8.6196 123.6636 59.2932 29.9676 179.1409 62 E 5.6635 7.8106 114.0929 55.5092 30.6615 174.8368 63 Q 4.4484 8.1406 119.5850 56.7950 31.4663 174.9400 64 F 4.7308 8.3498 121.2776 57.4558 39.7002 174.7060 65 V 4.5342 7.6237 121.0166 59.8745 35.3988 174.4247 66 E 4.3741 8.5346 117.8819 55.7074 31.2639 176.1338 67 G 3.7794 7.3201 105.8214 46.6803 0.0000 170.8182 68 I 4.7713 7.2551 120.1262 60.4100 38.8371 175.2177 69 Y 4.9419 8.9696 123.7485 55.9298 42.2582 174.4651 70 K 4.8842 9.0380 121.3587 54.8479 36.0397 174.9099 71 V 4.7704 9.1918 127.8129 61.2754 33.8858 173.7879 72 E 4.8314 9.2828 130.9406 55.0142 31.1123 174.5649 73 I 4.6041 8.9979 129.6133 59.5280 38.9603 175.8815 74 D 4.7446 8.5908 129.1274 53.9416 37.7266 176.4403 75 T 3.9784 7.8211 114.7053 63.8770 69.4629 176.4779 76 K 4.0317 8.2173 122.2170 59.8334 32.2021 178.7360 77 S 4.1493 8.3113 114.9710 61.6277 62.4904 175.5424 78 Y 3.9813 7.4110 120.5779 60.8208 38.6933 178.2299 79 W 4.4867 8.1170 119.0337 59.9548 28.8971 178.7273 80 K 4.1008 8.2625 118.0703 59.4669 31.1960 178.9589 81 A 3.7691 7.6417 120.3129 55.1392 18.2303 179.2830 82 L 4.0374 7.4012 117.7387 59.3071 42.3313 177.2053 83 G 3.4040 6.5275 106.3110 45.2628 0.0000 173.1753 84 I 4.3642 7.6481 120.7546 59.4098 38.8221 175.8331 85 S 4.4756 8.5717 120.7996 57.0793 62.6455 172.4205 86 P 4.5918 0.0000 0.0000 61.4746 33.1922 174.9641 87 F 4.1486 8.0445 119.4786 59.6328 40.3667 175.8596 88 H 4.4619 7.7780 115.5151 54.9707 29.5695 175.3261 89 E 4.0436 8.5687 122.1808 59.6531 29.5850 176.2022 90 H 4.8035 7.6462 110.7105 55.8564 31.3826 172.9415 91 A 4.3748 8.6702 120.9585 49.9921 20.7028 175.4090 92 E 5.0545 8.5451 122.4046 54.3162 32.7821 175.5679 93 V 4.4475 8.7842 125.2025 61.3457 34.6939 174.0529 94 V 5.0921 8.7384 128.4739 61.1404 33.3161 174.4888 95 F 5.2161 8.9339 122.1307 55.5055 41.9492 173.4998 96 T 4.8467 8.7426 116.0512 62.2392 69.9848 173.9654 97 A 4.6638 9.9816 129.3330 50.5236 21.0190 173.6300 98 N 3.9039 7.8341 117.4300 52.1692 38.0046 172.6872 99 D 4.8365 7.4511 122.3422 53.5524 44.6642 176.6997 100 S 4.7318 6.8385 111.4719 55.7874 64.2642 175.7526 101 G 4.1957 7.6177 115.1691 44.3985 0.0000 167.7258 102 P 4.7907 0.0000 0.0000 61.9744 32.9724 176.1252 *103 R 4.7718 8.3198 124.1411 55.4203 30.9482 172.1387 104 R 4.6245 7.6499 113.9194 57.4589 34.6463 173.7178 105 Y 4.8173 9.0860 122.8335 56.3131 41.0696 174.9752 106 T 4.8494 8.4677 120.3095 61.9286 71.9201 172.8732 107 I 4.7013 8.6943 128.2924 59.6017 39.1879 174.8796 108 A 5.3307 9.0454 128.8338 50.1564 22.2870 175.0509 109 A 5.0068 9.0316 121.7265 50.1836 23.1327 174.8466 110 L 4.9878 9.1230 125.0124 53.4166 44.3244 174.9474 111 L 5.2225 9.2888 127.5357 53.7049 43.3800 176.1784 112 S 5.0519 9.2814 118.6966 56.0356 67.1632 173.6062 113 P 3.2651 0.0000 0.0000 65.1308 31.1435 177.9012 114 Y 4.2191 7.8051 111.9249 57.2362 38.6678 175.0102 115 S 4.7521 7.8129 113.7065 57.4403 65.7279 172.4672 116 Y 5.5797 7.9096 122.8759 55.8590 40.7840 173.8533 117 S 4.9034 9.1529 115.1679 56.9056 66.5144 172.6852 118 T 5.2161 8.5569 115.3016 60.9224 70.3666 172.8382 119 T 4.9072 9.0853 122.9344 61.7947 73.4191 172.5110 120 A 5.1202 8.5744 124.4488 50.1413 22.0438 175.8289 121 V 4.2078 8.7686 121.6663 61.2728 33.9318 174.5529 122 V 5.1104 8.1446 129.7983 61.2668 33.9916 176.3277 123 T 3.7674 7.8667 115.9283 61.7894 69.2513 173.6056 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 10 C 8.19 4.51 0.00 3.08 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 11 P 0.00 3.96 0.00 1.74 2.33 0.00 3.61 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 1.99 2.04 0.00 12 L 8.30 4.99 0.00 1.04 1.28 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.59 5.05 0.00 2.03 1.84 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 2.60 2.40 0.00 14 V 8.20 4.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.90 0.00 0.00 15 K 9.31 4.97 0.00 1.74 1.53 0.00 1.91 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.37 7.81 16 V 8.64 4.85 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 0.82 0.00 0.00 0.81 0.00 0.00 17 L 9.23 5.11 0.00 1.55 1.50 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.86 5.35 0.00 2.65 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 19 A 9.27 4.24 1.43 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 20 V 8.60 3.82 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 0.97 0.00 0.00 0.99 0.00 0.00 21 R 8.91 4.44 0.00 1.90 2.02 0.00 3.36 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 22 G 8.54 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.64 4.79 0.00 3.86 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 24 P 0.00 4.56 0.00 1.92 2.14 0.00 3.66 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 2.14 2.08 0.00 25 A 8.46 4.25 0.47 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 0.00 0.00 0.00 26 I 8.12 4.13 1.87 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 1.39 0.70 0.90 0.00 0.00 27 N 8.58 4.21 0.00 2.93 2.99 0.00 0.00 6.83 7.24 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 28 V 7.79 4.29 1.94 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 0.81 0.00 0.00 0.67 0.00 0.00 29 A 8.47 4.70 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 30 V 8.60 4.74 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 0.88 0.00 0.00 0.86 0.00 0.00 31 H 9.24 5.36 0.00 3.22 2.65 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.99 4.75 2.34 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 1.26 0.00 0.00 0.99 0.00 0.00 33 F 9.30 5.18 0.00 2.79 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 34 R 9.45 4.32 0.00 1.30 1.70 0.00 2.88 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 35 K 9.21 3.91 0.00 1.33 1.50 0.00 0.91 0.00 0.00 1.36 0.00 0.00 2.49 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.11 0.84 7.81 36 A 8.84 4.16 1.30 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 0.00 0.00 37 A 8.56 4.00 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 38 D 7.44 4.72 0.00 2.76 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 39 D 8.45 4.59 0.00 2.63 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 40 T 6.85 4.31 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 1.16 0.00 0.00 41 W 8.33 5.14 0.00 3.02 3.11 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 42 E 9.35 4.79 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 43 P 0.00 4.45 0.00 2.10 2.20 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 44 F 9.43 4.84 0.00 2.98 3.22 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 45 A 7.58 4.51 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 46 S 7.96 4.74 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 48 K 8.45 5.23 0.00 1.56 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.34 7.81 49 T 8.96 4.18 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 1.15 0.00 0.00 50 S 8.47 4.92 0.00 4.02 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 51 E 8.68 3.90 0.00 1.95 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 2.31 2.36 0.00 52 S 7.89 4.21 0.00 3.87 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 53 G 8.50 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 0.00 0.00 0.00 54 E 7.78 4.98 0.00 1.99 1.66 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 2.32 2.22 0.00 55 L 8.44 4.71 0.00 1.50 1.40 0.83 1.35 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 56 H 8.53 4.51 0.00 3.29 3.30 0.00 5.87 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 57 G 8.33 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 0.00 0.00 0.00 58 L 6.72 3.11 0.00 1.67 1.58 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.43 4.58 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 60 T 7.95 4.73 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 1.34 0.00 0.00 61 E 8.62 3.99 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 62 E 7.81 5.66 0.00 1.96 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 2.28 2.41 0.00 63 Q 8.14 4.45 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 64 F 8.35 4.73 0.00 3.40 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 65 V 7.62 4.53 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 0.82 0.00 0.00 0.90 0.00 0.00 66 E 8.53 4.37 0.00 2.31 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 2.20 2.35 0.00 67 G 7.32 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 68 I 7.26 4.77 1.73 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 1.28 0.96 1.06 0.00 0.00 69 Y 8.97 4.94 0.00 1.65 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 0.00 0.00 0.00 70 K 9.04 4.88 0.00 0.79 1.00 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 1.18 7.81 71 V 9.19 4.77 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 0.91 0.00 0.00 1.21 0.00 0.00 72 E 9.28 4.83 0.00 2.13 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 2.25 2.11 0.00 73 I 9.00 4.60 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.80 0.00 0.00 74 D 8.59 4.74 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 75 T 7.82 3.98 4.48 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 1.18 0.00 0.00 76 K 8.22 4.03 0.00 2.09 1.91 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.60 7.81 77 S 8.31 4.15 0.00 4.12 3.91 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 78 Y 7.41 3.98 0.00 2.74 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 79 W 8.12 4.49 0.00 3.53 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 80 K 8.26 4.10 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.65 7.81 81 A 7.64 3.77 1.22 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 82 L 7.40 4.04 0.00 1.55 1.81 0.96 0.78 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 83 G 6.53 3.40 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 0.00 84 I 7.65 4.36 2.08 0.00 0.00 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 1.63 1.29 0.86 0.00 0.00 85 S 8.57 4.48 0.00 3.93 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 86 P 0.00 4.59 0.00 2.20 2.19 0.00 3.77 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 1.94 2.05 0.00 87 F 8.04 4.15 0.00 1.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.78 4.46 0.00 3.29 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.57 4.04 0.00 1.77 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 2.15 2.13 0.00 90 H 7.65 4.80 0.00 3.23 3.25 0.00 5.12 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 91 A 8.67 4.37 0.47 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 0.00 0.00 0.00 92 E 8.55 5.05 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 2.10 2.21 0.00 93 V 8.78 4.45 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 0.94 0.00 0.00 0.98 0.00 0.00 94 V 8.74 5.09 2.21 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 1.17 0.00 0.00 0.97 0.00 0.00 95 F 8.93 5.22 0.00 3.10 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 96 T 8.74 4.85 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 1.27 0.00 0.00 97 A 9.98 4.66 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 98 N 7.83 3.90 0.00 2.95 3.14 0.00 0.00 6.86 9.20 0.00 0.00 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 D 7.45 4.84 0.00 2.70 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 0.00 100 S 6.84 4.73 0.00 3.78 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 0.00 101 G 7.62 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 2.23 2.15 0.00 3.77 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 1.96 1.99 0.00 *103 R 8.32 4.77 0.00 1.83 1.69 0.00 3.29 0.00 0.00 3.22 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 104 R 7.65 4.62 0.00 1.68 1.71 0.00 2.99 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 105 Y 9.09 4.82 0.00 2.82 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 0.00 106 T 8.47 4.85 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 107 I 8.69 4.70 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.41 0.85 0.00 0.00 108 A 9.05 5.33 1.19 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 0.00 109 A 9.03 5.01 1.14 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 0.00 110 L 9.12 4.99 0.00 1.79 1.61 0.96 0.87 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 0.00 111 L 9.29 5.22 0.00 1.86 2.06 0.61 0.68 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 0.00 112 S 9.28 5.05 0.00 3.94 3.70 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 0.00 113 P 0.00 3.27 0.00 2.14 1.67 0.00 3.29 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.68 0.00 114 Y 7.81 4.22 0.00 2.86 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 0.00 115 S 7.81 4.75 0.00 3.84 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 0.00 116 Y 7.91 5.58 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 0.00 117 S 9.15 4.90 0.00 3.93 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 0.00 118 T 8.56 5.22 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 1.35 0.00 0.00 119 T 9.09 4.91 4.24 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 1.21 0.00 0.00 120 A 8.57 5.12 1.14 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 0.00 121 V 8.77 4.21 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 0.90 0.00 0.00 0.91 0.00 0.00 122 V 8.14 5.11 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 0.33 0.00 0.00 0.89 0.00 0.00 123 T 7.87 3.77 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.