NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5060 8.3293 120.8379 58.6429 31.7561 173.0142 11 P 4.3442 0.0000 0.0000 63.7390 32.7268 174.2805 12 L 5.0483 8.4082 122.4795 53.4734 44.9629 176.6661 13 M 4.9288 9.4634 125.9794 53.3866 36.1247 174.7522 14 V 4.7602 8.2952 121.8226 60.8938 34.7561 174.0232 15 K 4.9618 9.1054 128.9410 54.5468 35.1977 174.6640 16 V 4.8098 8.8477 127.0500 61.0856 34.5217 174.1617 17 L 5.1419 9.0821 127.2367 52.9191 45.9894 174.9207 18 D 5.2446 9.2245 121.5708 52.8666 42.2579 176.6582 19 A 4.3207 9.4248 128.7963 53.7511 18.6691 178.6679 20 V 3.8667 8.8472 115.5607 65.2745 31.8391 177.1747 21 R 4.3350 8.4969 115.3826 55.3994 31.1372 175.8549 22 G 3.8929 8.2535 105.9682 46.1380 0.0000 172.7930 23 S 4.8725 7.4791 111.6966 55.3523 67.4817 172.3385 24 P 4.5035 0.0000 0.0000 63.3192 31.3021 175.9111 25 A 4.2280 8.8699 125.4606 51.3381 19.1121 176.3387 26 I 4.2512 8.3964 122.5952 61.1386 38.9788 175.5413 27 N 4.1116 8.3642 122.3015 54.6680 37.8447 174.1282 28 V 4.2227 7.8286 117.0270 61.1474 33.4212 174.8740 29 A 4.5344 8.5864 130.1813 51.9445 19.8168 175.9965 30 V 4.7222 8.9992 122.5549 61.2806 34.9129 173.8514 31 H 5.1116 9.2422 124.9065 53.9118 31.6554 172.9062 32 V 4.8169 8.9353 124.1568 61.2838 33.6894 174.4780 33 F 5.5779 9.5084 125.7304 55.7928 43.0336 173.7978 34 R 4.6424 9.1510 122.3113 54.1890 32.5079 174.9526 35 K 3.9038 8.3967 127.9673 55.9289 32.5306 176.7327 36 A 4.2296 8.5165 130.7691 50.8012 19.6428 177.7491 37 A 3.8347 8.4067 122.4313 55.1195 18.3870 178.4024 38 D 4.5408 7.8902 112.9240 53.2029 39.5797 176.7154 39 D 4.2095 7.9993 117.9223 55.1015 39.0969 174.1945 40 T 4.0603 7.5207 110.0317 60.6847 69.9230 173.4780 41 W 4.8394 8.3278 122.5871 55.7244 30.2540 175.3011 42 E 4.7297 9.3589 127.2715 53.7944 30.9417 173.3580 43 P 4.4626 0.0000 0.0000 63.8595 31.4203 174.7051 44 F 4.9046 8.9587 125.4944 59.3123 41.3049 174.9791 45 A 4.5814 7.7343 117.4636 51.3866 22.2799 174.7003 46 S 4.7193 7.7051 113.0452 57.4029 66.4089 173.1046 47 G 3.9222 7.7269 106.6189 46.4202 0.0000 171.7585 48 K 5.3035 8.4351 118.8407 54.1775 34.7173 177.0203 49 T 4.1728 8.6121 115.1818 62.0331 70.2002 175.1428 50 S 4.6495 8.7570 118.9025 57.6649 65.0346 174.3633 51 E 4.0481 8.6612 118.6900 59.2324 29.2345 177.8769 52 S 4.3587 7.7991 111.8440 57.8183 63.5822 174.8788 53 G 3.8617 8.2140 109.6295 45.5428 0.0000 172.6575 54 E 5.0989 7.7840 118.2560 54.1330 32.9774 174.7644 55 L 4.9083 8.9166 124.5906 53.8480 44.3119 175.0758 56 H 4.9443 8.7464 122.3729 53.7526 33.0532 173.9144 57 G 3.8306 8.7010 104.7298 46.7958 0.0000 175.5719 58 L 3.9848 7.3143 118.5720 57.3253 41.6973 176.9499 59 T 4.4668 7.3209 109.7062 61.1880 70.6281 171.5417 60 T 4.7179 8.0205 111.7896 59.1200 71.5520 174.6203 61 E 4.0999 8.8114 122.5875 59.3181 29.8983 177.6193 62 E 4.1625 8.3316 118.4875 59.1074 29.8981 177.4361 63 E 4.3383 7.8962 116.0385 58.7509 30.3692 177.4888 64 F 4.9098 8.2231 122.0376 57.5781 37.4857 174.8016 65 V 3.9803 7.4116 116.4626 60.1364 32.8927 176.3791 66 E 4.3831 8.0561 120.2735 55.4146 29.8013 177.4690 67 G 3.9452 7.8699 110.1765 44.9406 0.0000 170.6566 68 I 4.5842 7.1755 120.1917 60.4017 38.6632 175.0692 69 Y 5.0993 8.8027 124.2976 55.8559 41.8957 174.4031 70 K 4.7971 9.1557 123.8183 54.6104 35.1281 174.7882 71 V 4.6928 9.1081 128.3704 61.5205 33.2155 173.8931 72 E 4.9142 9.5333 130.7846 54.7698 31.4892 174.5050 73 I 4.4164 8.7449 129.0738 59.5758 39.3583 176.0987 74 D 5.1006 8.7363 130.7193 54.0343 37.2550 177.1174 75 T 4.0340 7.7615 114.0001 64.2361 69.5499 176.7905 76 K 4.1116 7.7839 121.8796 59.6902 32.4030 178.9666 77 S 4.1789 8.1302 114.8981 61.5426 62.8989 175.8586 78 Y 3.9437 7.6058 121.0739 60.6805 38.5078 178.4155 79 W 4.3641 8.1561 119.7421 59.4381 29.1167 178.6746 80 K 3.9683 8.3841 118.4896 59.6144 31.3546 179.2195 81 A 4.0633 7.6812 118.8135 54.3284 18.3433 178.6482 82 L 4.3132 7.1477 114.2961 54.3874 42.0349 177.2689 83 G 3.9091 8.0279 107.1011 46.0827 0.0000 173.2813 84 I 4.4418 8.0096 119.8524 58.8928 39.6019 175.5811 85 S 4.3328 8.6857 120.0971 57.0334 62.0152 171.7763 86 P 4.5050 0.0000 0.0000 61.5077 32.9487 175.9931 87 F 3.9255 8.4012 121.7240 61.0413 39.4489 176.0062 88 H 4.4297 7.8515 115.7080 55.0776 29.8859 175.5119 89 E 4.0441 8.6191 122.5245 59.3169 29.6325 176.3488 90 H 5.0979 7.5928 109.5034 55.2741 31.5308 171.1633 91 A 4.3011 8.6000 119.5940 50.2135 21.2224 175.5474 92 E 4.9941 8.8987 121.6471 54.4611 32.4312 175.7061 93 V 4.3377 8.9998 125.5303 61.3982 33.4008 174.0989 94 V 5.0590 8.3863 128.4098 61.1394 33.3598 174.5373 95 F 5.0528 8.8471 121.3463 56.3869 41.7908 172.8419 96 T 4.9810 8.6077 116.4057 62.0485 69.8463 174.4586 97 A 4.3226 8.9684 129.7683 51.6688 19.7687 175.6977 98 N 5.2958 9.4604 121.3387 51.9807 41.2430 174.4865 99 D 4.5311 9.7351 127.2535 57.1561 41.6294 177.7557 100 S 4.3740 7.9455 114.7091 57.0431 61.4111 170.8535 *102 P 4.2485 0.0000 0.0000 65.0688 33.1314 177.0298 103 R 4.4244 7.5523 115.0220 56.9846 29.2004 172.9033 104 R 4.4754 8.1155 123.0898 55.5925 32.6756 175.5135 105 Y 4.7178 9.2194 123.4762 56.9856 39.8388 174.9115 106 T 4.8451 8.8678 122.1559 61.9779 70.9598 173.8755 107 I 4.6476 9.0884 129.1205 60.0542 38.3755 174.6651 108 A 5.2534 8.8654 129.7773 50.1858 21.6722 175.3725 109 A 5.0795 9.0012 122.5393 50.1574 22.9742 174.6145 110 L 5.0433 9.1691 125.0852 53.3317 44.4664 174.9384 111 L 5.3705 9.1564 126.5978 53.3165 44.2620 175.7823 112 S 5.1312 9.5229 118.7660 55.9812 67.0516 173.3730 113 P 3.0943 0.0000 0.0000 65.1904 31.0707 177.7624 114 Y 4.5348 7.8078 111.4732 57.3643 38.8633 174.9964 115 S 4.7815 7.9324 114.2998 57.3037 65.7445 172.3169 116 Y 5.6016 7.9184 122.6784 55.6834 40.9163 173.9807 117 S 4.9428 9.0466 115.3336 56.9634 66.4963 172.7098 118 T 5.2763 8.4800 114.9239 60.9488 70.4791 172.8925 119 T 4.8370 9.0055 123.0471 61.7466 73.1866 172.4170 120 A 4.9228 8.5827 125.8375 50.4228 21.0064 176.5074 121 V 4.1008 8.8808 123.9260 61.3726 33.1862 174.5248 122 V 4.6980 8.2739 128.7823 61.3046 32.9396 174.6014 123 T 4.7128 8.3347 116.9159 59.8977 73.0029 174.0691 124 N 4.4794 8.5486 117.8923 53.5280 38.8097 175.4067 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 8.33 4.51 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.34 0.00 2.26 2.42 0.00 3.74 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 1.85 2.19 0.00 12 L 8.41 5.05 0.00 0.72 1.10 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.46 4.93 0.00 1.72 1.80 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 14 V 8.30 4.76 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 0.89 0.00 0.00 15 K 9.11 4.96 0.00 1.76 1.56 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.30 7.81 16 V 8.85 4.81 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 0.71 0.00 0.00 0.82 0.00 0.00 17 L 9.08 5.14 0.00 1.56 1.51 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.22 5.24 0.00 2.68 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 9.42 4.32 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 8.85 3.87 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 0.93 0.00 0.00 1.03 0.00 0.00 21 R 8.50 4.34 0.00 1.93 2.02 0.00 3.43 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 22 G 8.25 3.89 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 0.00 0.00 0.00 23 S 7.48 4.87 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.50 0.00 2.11 2.20 0.00 3.76 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 1.99 1.98 0.00 25 A 8.87 4.23 0.62 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 0.00 0.00 26 I 8.40 4.25 1.91 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 1.47 0.79 0.94 0.00 0.00 27 N 8.36 4.11 0.00 2.84 2.88 0.00 0.00 7.05 7.27 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 28 V 7.83 4.22 1.91 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 0.78 0.00 0.00 0.61 0.00 0.00 29 A 8.59 4.53 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.00 4.72 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.91 0.00 0.00 31 H 9.24 5.11 0.00 3.11 2.62 0.00 5.84 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 32 V 8.94 4.82 2.36 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 1.37 0.00 0.00 0.97 0.00 0.00 33 F 9.51 5.58 0.00 2.93 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 34 R 9.15 4.64 0.00 1.40 1.64 0.00 2.78 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 35 K 8.40 3.90 0.00 1.18 1.28 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.89 0.21 7.81 36 A 8.52 4.23 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 37 A 8.41 3.83 1.23 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 0.00 0.00 0.00 38 D 7.89 4.54 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.00 4.21 0.00 2.72 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 40 T 7.52 4.06 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 1.25 0.00 0.00 41 W 8.33 4.84 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.36 4.73 0.00 2.09 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 2.39 2.38 0.00 43 P 0.00 4.46 0.00 2.05 2.05 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 44 F 8.96 4.90 0.00 3.13 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 45 A 7.73 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.71 4.72 0.00 3.61 3.57 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 47 G 7.73 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 48 K 8.44 5.30 0.00 1.58 1.75 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.31 7.81 49 T 8.61 4.17 4.17 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 1.15 0.00 0.00 50 S 8.76 4.65 0.00 3.99 4.07 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 51 E 8.66 4.05 0.00 1.97 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 2.23 0.00 52 S 7.80 4.36 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.21 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 0.00 0.00 0.00 54 E 7.78 5.10 0.00 1.97 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 2.29 2.46 0.00 55 L 8.92 4.91 0.00 1.62 1.41 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.75 4.94 0.00 3.10 3.14 0.00 6.00 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 57 G 8.70 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 58 L 7.31 3.98 0.00 1.58 1.69 0.86 0.62 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 59 T 7.32 4.47 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 60 T 8.02 4.72 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 1.21 0.00 0.00 61 E 8.81 4.10 0.00 2.02 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 2.36 2.42 0.00 62 E 8.33 4.16 0.00 2.01 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 2.35 2.39 0.00 63 E 7.90 4.34 0.00 2.18 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 2.39 2.41 0.00 64 F 8.22 4.91 0.00 3.14 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 65 V 7.41 3.98 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 0.82 0.00 0.00 1.01 0.00 0.00 66 E 8.06 4.38 0.00 1.93 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 2.48 2.28 0.00 67 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.18 4.58 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 1.12 0.00 0.00 69 Y 8.80 5.10 0.00 1.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.16 4.80 0.00 0.79 0.91 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.09 1.04 7.81 71 V 9.11 4.69 2.20 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 0.96 0.00 0.00 1.18 0.00 0.00 72 E 9.53 4.91 0.00 2.09 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 2.29 1.94 0.00 73 I 8.74 4.42 1.72 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 1.16 0.45 0.78 0.00 0.00 74 D 8.74 5.10 0.00 2.78 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 75 T 7.76 4.03 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 1.16 0.00 0.00 76 K 7.78 4.11 0.00 2.33 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.54 7.81 77 S 8.13 4.18 0.00 3.94 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 78 Y 7.61 3.94 0.00 2.94 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 79 W 8.16 4.36 0.00 3.51 3.34 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 80 K 8.38 3.97 0.00 2.07 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.66 7.81 81 A 7.68 4.06 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 82 L 7.15 4.31 0.00 1.84 1.72 0.34 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.03 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 84 I 8.01 4.44 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.81 0.00 0.00 85 S 8.69 4.33 0.00 3.87 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 86 P 0.00 4.51 0.00 2.27 2.10 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.28 0.00 87 F 8.40 3.93 0.00 1.76 2.69 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 88 H 7.85 4.43 0.00 3.30 3.46 0.00 5.76 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 8.62 4.04 0.00 1.78 1.91 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 2.26 2.15 0.00 90 H 7.59 5.10 0.00 3.21 3.27 0.00 5.08 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 8.60 4.30 0.22 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 92 E 8.90 4.99 0.00 1.85 1.81 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 2.07 2.24 0.00 93 V 9.00 4.34 2.20 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 0.86 0.00 0.00 0.99 0.00 0.00 94 V 8.39 5.06 2.17 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 1.06 0.00 0.00 0.83 0.00 0.00 95 F 8.85 5.05 0.00 3.14 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 96 T 8.61 4.98 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 1.29 0.00 0.00 97 A 8.97 4.32 0.72 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 0.00 0.00 98 N 9.46 5.30 0.00 2.72 2.79 0.00 0.00 7.27 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 99 D 9.74 4.53 0.00 2.83 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 0.00 100 S 7.95 4.37 0.00 3.99 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 P 0.00 4.25 0.00 1.85 2.13 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 103 R 7.55 4.42 0.00 0.91 1.60 0.00 3.19 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 104 R 8.12 4.48 0.00 1.80 1.85 0.00 3.09 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 105 Y 9.22 4.72 0.00 2.85 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 0.00 106 T 8.87 4.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 107 I 9.09 4.65 1.82 0.00 0.00 0.39 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 0.93 0.88 0.00 0.00 108 A 8.87 5.25 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 0.00 109 A 9.00 5.08 1.17 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 0.00 0.00 110 L 9.17 5.04 0.00 1.79 1.60 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.16 5.37 0.00 1.85 2.03 0.54 0.56 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 0.00 112 S 9.52 5.13 0.00 3.91 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.09 0.00 2.14 1.71 0.00 3.31 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.03 0.00 114 Y 7.81 4.53 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.93 4.78 0.00 3.81 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 0.00 116 Y 7.92 5.60 0.00 3.12 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 0.00 117 S 9.05 4.94 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 5.28 4.40 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 1.34 0.00 0.00 119 T 9.01 4.84 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 8.58 4.92 1.17 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 0.00 0.00 121 V 8.88 4.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 122 V 8.27 4.70 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.90 0.00 0.00 123 T 8.33 4.71 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 1.17 0.00 0.00 124 N 8.55 4.48 0.00 2.69 2.74 0.00 0.00 6.76 7.56 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 * Residues marked with a * may have inaccurate shift predictions.