NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9510 8.0549 120.3012 61.5523 32.4837 175.7092 4 I 3.9451 8.0380 126.3344 58.4291 35.7863 173.3460 5 N 5.0667 8.1151 118.6677 51.4223 39.8221 174.1201 6 T 4.8238 7.5911 109.6146 60.3525 72.1377 175.0063 7 F 4.1389 8.5438 122.1490 61.4685 38.9620 178.0309 8 D 4.6101 8.3345 117.6917 56.9954 40.8189 178.9704 9 G 3.6292 7.7449 104.9500 47.7751 0.0000 175.9787 10 V 3.6014 8.6293 121.9215 65.5046 31.6923 177.8944 11 A 4.0532 8.0966 120.4394 55.5119 18.2309 179.3202 12 D 4.3539 8.8101 117.8497 57.5195 40.8236 178.5310 13 Y 3.9742 8.2018 119.9846 60.8194 38.9125 177.8778 14 L 4.3271 8.6954 124.0082 57.8767 41.4688 180.4202 15 Q 3.7539 7.8147 121.5915 61.2409 28.3241 181.0498 16 T 3.8730 7.8150 115.6516 64.7607 68.3467 177.3537 17 Y 4.4082 8.1313 116.3656 57.2383 38.4967 176.5835 18 H 3.7656 7.8599 115.5206 55.6678 27.2833 174.1287 19 K 4.7912 7.3688 117.5134 55.2774 35.5859 175.4000 20 L 4.2299 8.2472 119.4528 53.7026 42.3067 175.6279 21 P 3.8098 0.0000 0.0000 62.5218 31.8905 177.8750 *22 D 4.4333 8.4832 119.0298 56.4590 39.8164 178.3562 23 N 4.4862 8.0375 113.7513 54.2262 37.6704 173.7174 24 Y 5.7305 7.6706 116.9888 56.0664 40.2871 174.9861 25 I 4.9560 7.9832 113.9645 59.6552 41.6392 174.3170 26 T 4.5735 9.1312 114.1289 61.1708 70.1453 175.9908 27 K 4.1735 8.8025 122.1989 59.3548 32.0668 180.0612 28 S 4.2178 8.1141 114.5025 61.3985 63.1797 176.0450 29 E 3.9618 7.9127 120.8782 59.0635 29.3500 179.0462 30 A 4.0463 8.1195 120.4251 55.6653 18.0431 179.6973 31 Q 4.0997 8.8546 116.3749 59.1737 28.5191 179.1790 32 A 4.1177 7.7382 120.6399 54.7047 18.4315 178.6200 33 L 4.4784 7.6072 114.8851 54.8089 41.8320 177.7623 34 G 3.9896 7.7092 106.6385 44.6869 0.0000 174.0285 35 W 4.4779 7.9361 130.0467 57.1767 31.4158 175.3644 36 V 3.7464 8.4994 124.9174 60.4505 33.0062 175.6705 37 A 3.7298 7.5920 130.6512 55.3727 18.2611 179.4005 38 S 4.3981 8.0807 112.2514 61.3936 62.9742 175.8695 39 K 4.3453 7.7386 119.6668 53.3713 32.8670 181.6219 40 G 3.1943 7.1764 104.6395 47.1635 0.0000 173.7557 41 N 4.8166 7.9854 112.9492 52.0931 38.2645 176.1536 42 L 3.8630 8.3815 123.0389 58.6729 42.1309 179.1318 43 A 4.0478 8.0526 120.5849 55.0509 18.7581 179.2547 44 D 4.3740 8.1386 115.5821 57.4644 41.0006 178.2652 45 V 3.9359 7.7591 109.8633 63.0247 32.8741 176.6301 46 A 4.6656 8.2585 122.6670 49.2484 19.2399 173.2604 47 P 4.4934 0.0000 0.0000 62.8028 32.2921 176.9670 48 G 3.8985 8.8271 109.2457 46.1796 0.0000 172.9134 49 K 4.7744 7.6481 116.7721 54.3736 35.4490 175.5595 50 S 4.5069 8.2856 116.5859 56.6884 67.9417 173.2419 51 I 4.5593 7.7984 122.3353 61.0780 38.1389 175.3740 52 G 4.1981 9.3013 111.7483 46.9541 0.0000 173.6955 53 G 4.4371 9.7457 109.9016 44.5474 0.0000 174.0884 54 D 4.7368 8.0559 119.7881 53.8149 42.5426 175.6438 55 I 4.3175 8.3096 122.5595 61.3727 37.8996 175.0134 56 F 4.9090 9.0968 130.4801 56.3914 39.2665 176.1752 57 S 3.9447 8.1535 120.5097 59.1550 63.6747 173.5572 58 N 3.9327 6.3438 119.0784 53.5689 37.3481 175.5447 59 R 3.6943 7.0779 120.7833 60.0869 29.9425 177.4711 60 E 4.4347 8.2142 111.8809 55.1936 29.7369 178.0323 61 G 4.1024 7.8432 105.5711 47.1366 0.0000 175.7115 62 K 4.0975 7.6924 120.2338 58.1421 32.2977 177.6386 63 L 3.8535 7.2699 118.1391 51.7357 42.6778 174.3293 64 P 4.0957 0.0000 0.0000 63.1631 31.4467 176.1154 65 G 4.1079 8.2945 112.0613 44.2812 0.0000 172.4881 66 K 4.1866 7.7548 117.7739 55.5451 34.7174 173.9236 67 S 4.4688 8.6383 120.7072 58.6629 63.8132 174.1689 68 G 3.9096 8.8953 112.5414 45.1666 0.0000 173.2556 69 R 3.9250 7.2266 119.4944 55.5598 30.7020 175.0886 70 T 4.5210 8.9423 121.2614 59.9824 70.4185 172.6629 71 W 4.9446 8.5821 127.6894 55.7546 31.4536 175.4064 72 R 5.1191 9.2735 122.3031 54.3201 34.0463 174.1519 73 E 5.6236 9.2136 119.5679 54.3709 33.1428 174.5817 74 A 4.9392 8.1221 119.0403 51.0075 22.5657 175.4893 75 D 4.9314 9.4766 122.9534 54.5477 40.0902 176.0862 76 I 4.3792 8.7039 123.1397 59.6278 40.9775 175.0890 77 N 4.2235 8.6804 119.5642 54.3825 36.6958 173.8700 78 Y 4.5079 7.2409 117.1036 56.9514 39.9450 173.6758 79 T 4.0586 7.5102 114.9560 62.4081 70.4707 173.6197 80 S 4.0022 6.9119 113.2544 57.0612 66.0522 174.0356 81 G 3.8662 8.4612 107.1009 45.3987 0.0000 173.0735 82 F 4.3118 8.7805 119.1386 57.0896 39.7310 175.6353 83 R 4.2203 8.6760 123.2139 56.3809 30.8957 176.9908 84 N 4.9595 8.4226 118.4158 52.5323 39.6541 174.7985 85 S 4.2383 8.4626 111.4846 58.6430 65.0827 173.2643 86 D 5.2427 8.1074 122.4815 54.0844 41.8828 175.7684 87 R 5.1139 9.1854 121.5960 54.7640 35.5372 173.7838 88 I 5.2566 9.0182 121.6077 59.3724 41.4561 174.2426 89 L 5.5463 9.4368 128.1072 53.2032 44.8008 175.0506 90 Y 5.7636 9.5035 122.1355 55.2869 41.3897 174.7311 91 A 4.5264 8.2971 122.6887 48.9817 21.3413 178.2176 92 S 3.1410 7.8763 113.5766 60.1100 63.1435 174.8572 93 D 4.3636 7.1602 118.3074 52.0112 40.0252 175.6285 94 W 3.7855 7.0464 118.5199 58.0358 26.6540 174.3388 95 L 4.7881 7.5526 117.8896 53.5266 43.1036 176.0127 96 I 5.4701 8.7316 124.0445 59.9594 40.1594 174.3671 97 Y 5.2854 9.7216 123.8457 56.0038 42.2009 174.5700 98 K 5.3667 8.8287 119.5088 55.7529 36.4370 174.9077 99 T 4.9294 8.8592 115.0196 60.9641 70.9697 174.0728 100 T 4.9939 8.4203 114.4770 61.1662 70.0393 173.3282 101 D 4.7362 7.6126 121.7107 53.7678 40.3716 174.8437 102 H 3.6747 8.3518 112.8172 58.6331 26.0489 174.7007 103 Y 3.4001 7.0483 111.2066 58.7499 36.3969 172.0250 104 Q 4.1008 7.7644 118.8546 58.7206 29.0174 176.4462 105 T 4.5588 7.9922 113.3114 61.4577 71.2479 173.6409 106 F 5.5630 8.3516 121.9627 55.0902 42.7402 174.5995 107 T 4.7466 8.4557 117.5818 61.3775 72.8175 173.0944 108 K 3.5844 8.6097 127.5420 56.3524 32.1612 176.2041 109 I 4.4019 8.8597 120.5434 61.0278 40.3532 175.9285 110 R 4.2118 7.6281 126.0584 56.3420 31.1499 174.5959 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 3 V 8.05 3.95 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 0.84 0.00 0.00 0.80 0.00 0.00 4 I 8.04 3.95 1.69 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.81 0.00 0.00 5 N 8.12 5.07 0.00 2.73 2.83 0.00 0.00 5.79 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 6 T 7.59 4.82 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 1.27 0.00 0.00 7 F 8.54 4.14 0.00 3.14 3.20 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 8 D 8.33 4.61 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.63 3.60 2.10 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 0.86 0.00 0.00 1.07 0.00 0.00 11 A 8.10 4.05 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 12 D 8.81 4.35 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.20 3.97 0.00 3.32 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 14 L 8.70 4.33 0.00 1.92 1.69 0.70 0.24 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 15 Q 7.81 3.75 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 16 T 7.81 3.87 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 17 Y 8.13 4.41 0.00 2.62 2.79 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 18 H 7.86 3.77 0.00 3.17 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.37 4.79 0.00 1.95 1.97 0.00 1.40 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 20 L 8.25 4.23 0.00 1.65 1.52 0.76 0.41 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 21 P 0.00 3.81 0.00 2.04 0.71 0.00 3.50 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 1.94 1.20 0.00 *22 D 8.48 4.43 0.00 2.69 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 23 N 8.04 4.49 0.00 2.54 2.90 0.00 0.00 6.17 7.57 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 24 Y 7.67 5.73 0.00 2.80 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 25 I 7.98 4.96 1.95 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 1.33 0.92 0.91 0.00 0.00 26 T 9.13 4.57 4.51 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 1.28 0.00 0.00 27 K 8.80 4.17 0.00 2.04 2.32 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.59 7.81 28 S 8.11 4.22 0.00 4.09 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 0.00 29 E 7.91 3.96 0.00 2.26 2.09 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 2.37 2.38 0.00 30 A 8.12 4.05 1.46 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 31 Q 8.85 4.10 0.00 2.40 2.22 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 2.36 2.65 0.00 32 A 7.74 4.12 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 33 L 7.61 4.48 0.00 1.86 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.71 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 0.00 0.00 0.00 35 W 7.94 4.48 0.00 3.27 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 36 V 8.50 3.75 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 0.77 0.00 0.00 0.87 0.00 0.00 37 A 7.59 3.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.08 4.40 0.00 3.83 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 39 K 7.74 4.35 0.00 1.80 1.70 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.23 7.81 40 G 7.18 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 41 N 7.99 4.82 0.00 2.91 3.04 0.00 0.00 5.71 6.67 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 42 L 8.38 3.86 0.00 1.22 1.70 0.42 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.05 4.05 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.14 4.37 0.00 2.85 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 45 V 7.76 3.94 2.41 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 0.81 0.00 0.00 1.10 0.00 0.00 46 A 8.26 4.67 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 47 P 0.00 4.49 0.00 2.02 2.01 0.00 3.86 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 2.03 2.24 0.00 48 G 8.83 3.90 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 0.00 49 K 7.65 4.77 0.00 1.52 1.64 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.45 7.81 50 S 8.29 4.51 0.00 3.26 3.48 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 51 I 7.80 4.56 1.61 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.08 0.89 0.00 0.00 52 G 9.30 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 53 G 9.75 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.06 4.74 0.00 2.71 2.65 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 55 I 8.31 4.32 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.88 0.00 0.00 56 F 9.10 4.91 0.00 3.12 3.01 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 57 S 8.15 3.94 0.00 3.79 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 58 N 6.34 3.93 0.00 2.79 2.73 0.00 0.00 6.82 7.65 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 59 R 7.08 3.69 0.00 1.80 1.86 0.00 3.30 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 60 E 8.21 4.43 0.00 1.93 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 2.27 1.86 0.00 61 G 7.84 4.10 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 0.00 0.00 0.00 62 K 7.69 4.10 0.00 1.85 2.05 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.54 7.81 63 L 7.27 3.85 0.00 1.09 0.29 -0.34 -0.99 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 64 P 0.00 4.10 0.00 2.32 2.19 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 65 G 8.29 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 0.00 0.00 0.00 66 K 7.75 4.19 0.00 1.74 1.56 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.21 1.24 7.81 67 S 8.64 4.47 0.00 3.99 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 68 G 8.90 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 0.00 0.00 0.00 69 R 7.23 3.93 0.00 1.66 1.90 0.00 3.21 0.00 0.00 2.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.98 0.00 70 T 8.94 4.52 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 1.01 0.00 0.00 71 W 8.58 4.94 0.00 3.48 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 72 R 9.27 5.12 0.00 0.67 1.54 0.00 3.02 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 73 E 9.21 5.62 0.00 2.16 2.15 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 2.52 2.22 0.00 74 A 8.12 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.48 4.93 0.00 2.70 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 76 I 8.70 4.38 1.06 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 1.03 0.56 -0.04 0.00 0.00 77 N 8.68 4.22 0.00 2.76 2.85 0.00 0.00 6.86 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 78 Y 7.24 4.51 0.00 2.80 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 79 T 7.51 4.06 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 1.07 0.00 0.00 80 S 6.91 4.00 0.00 3.84 3.68 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 81 G 8.46 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 0.00 0.00 0.00 82 F 8.78 4.31 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.68 4.22 0.00 1.91 1.86 0.00 2.74 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.00 84 N 8.42 4.96 0.00 2.84 2.93 0.00 0.00 5.95 7.64 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 85 S 8.46 4.24 0.00 3.81 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 86 D 8.11 5.24 0.00 2.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.19 5.11 0.00 1.54 1.75 0.00 3.30 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.00 88 I 9.02 5.26 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.96 1.08 0.00 0.00 89 L 9.44 5.55 0.00 1.58 1.42 0.52 0.57 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 90 Y 9.50 5.76 0.00 3.24 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 91 A 8.30 4.53 -0.42 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 92 S 7.88 3.14 0.00 3.63 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.16 4.36 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 7.05 3.79 0.00 3.51 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.79 0.00 2.03 2.05 1.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.73 5.47 2.06 0.00 0.00 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 1.58 1.33 1.21 0.00 0.00 97 Y 9.72 5.29 0.00 2.75 2.92 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 98 K 8.83 5.37 0.00 1.58 1.75 0.00 0.64 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.04 1.12 7.81 99 T 8.86 4.93 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 0.94 0.00 0.00 100 T 8.42 4.99 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 1.26 0.00 0.00 101 D 7.61 4.74 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.35 3.67 0.00 3.34 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.05 3.40 0.00 3.32 3.41 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 0.00 104 Q 7.76 4.10 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 105 T 7.99 4.56 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 106 F 8.35 5.56 0.00 2.93 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 0.00 107 T 8.46 4.75 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 1.13 0.00 0.00 108 K 8.61 3.58 0.00 1.40 1.52 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.17 0.85 7.81 109 I 8.86 4.40 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.76 0.00 0.00 110 R 7.63 4.21 0.00 1.90 1.84 0.00 3.35 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.