NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4615 8.3033 120.1817 56.2641 31.2171 174.1379 4 K 5.0050 8.7544 123.9371 53.7569 35.6888 174.1451 5 Y 4.4525 9.9132 127.4355 55.8659 40.7750 174.1555 6 I 4.0940 7.8314 128.3273 60.7552 38.1991 175.8308 7 V 4.1920 7.9596 127.5166 61.1477 33.1683 175.4828 8 T 4.1834 8.1786 118.4811 60.2486 70.4814 175.8722 9 W 4.2452 8.6523 121.3222 59.9622 28.9479 178.3891 10 D 4.4604 8.2922 118.3181 57.8633 40.3820 178.7407 11 M 4.0017 7.7672 118.6359 58.2129 31.8674 178.5397 12 L 4.0617 7.9957 120.5847 58.2727 42.2447 178.8834 13 Q 4.0149 8.3203 119.5029 59.2010 29.1275 178.1952 14 I 3.7074 7.7430 120.9099 64.7140 37.1113 178.1956 15 H 4.2500 8.2172 116.8287 58.7425 28.5385 177.7056 16 A 3.9905 8.2618 122.8045 55.3017 18.2607 179.9671 17 R 3.9418 8.2466 116.5990 58.9579 29.8513 179.3622 18 K 3.9053 7.6099 117.4179 59.4891 32.4278 178.6821 19 L 4.0136 7.8886 120.2381 58.1562 41.6498 178.8611 20 A 4.0418 8.1481 120.9506 55.0583 18.0583 179.7366 21 S 4.1326 7.7883 111.5118 61.3751 63.4970 176.5209 22 R 4.2015 7.7828 121.3562 58.4790 29.7392 177.8130 23 L 4.6178 7.3236 115.7247 54.8411 41.9803 177.1182 24 M 4.3747 7.0029 118.2236 54.2949 32.5815 174.4870 25 P 4.5778 0.0000 0.0000 62.4332 32.3426 176.5674 26 S 4.7685 8.3703 112.1928 59.3946 63.6508 175.9714 27 E 4.0451 7.9594 120.2869 58.6481 29.3976 177.6240 28 Q 3.8283 7.5651 115.1998 56.6921 29.2019 175.5548 29 W 5.1360 7.1174 119.6190 54.9966 30.4511 176.2649 30 K 3.8933 9.2360 124.4201 59.1670 32.3749 177.1652 31 G 3.8954 6.2008 103.5321 46.1978 0.0000 171.6263 32 I 5.1447 8.1659 119.8755 59.5622 41.2745 174.9795 33 I 4.7270 9.2557 127.8646 59.5761 39.0884 174.4435 34 A 4.7281 8.9631 130.8155 50.9721 20.4374 176.4270 35 V 4.0264 8.6777 123.7883 61.7737 32.1121 175.2482 36 S 4.4438 8.3825 123.8744 58.7006 62.6387 174.2316 37 R 4.3379 8.7007 124.0901 56.6248 31.4067 178.6389 38 G 3.6626 7.7017 106.0381 47.6606 0.0000 174.4693 39 G 3.8711 8.5185 107.2919 45.7038 0.0000 175.5309 40 L 3.8480 7.7381 121.2178 57.7199 41.6200 179.5291 41 V 3.5913 7.2795 117.4081 65.7224 31.7120 176.1400 42 P 4.4453 0.0000 0.0000 65.5086 31.1745 178.8775 43 G 3.5634 8.4344 104.7501 47.6477 0.0000 175.7174 44 A 4.0638 8.1052 123.1034 54.8499 18.3827 179.7822 45 L 4.0219 8.0366 117.7270 57.8305 41.6999 179.6780 46 L 3.9656 8.0887 118.8654 57.6378 41.5720 179.2698 47 A 4.0475 8.0279 120.8182 55.0674 18.0353 179.7777 48 R 3.8270 7.6167 115.7901 59.6529 30.3200 178.3409 49 E 4.1146 7.8712 116.9814 59.3915 29.6034 178.9498 50 L 4.3259 8.3621 117.6229 55.1608 41.8627 177.8887 51 G 3.8370 8.0057 106.3665 45.9796 0.0000 173.1065 52 I 4.0756 7.8007 122.8585 60.9907 37.6589 176.8393 53 R 4.1637 8.5206 123.7928 57.9093 30.2050 172.3812 54 H 4.5950 8.0433 116.7822 55.7542 29.9947 173.5195 55 V 4.8242 8.1339 124.6746 60.9268 33.8359 173.7112 56 D 5.1998 9.6439 127.2865 52.5657 45.0022 173.9586 57 T 5.3013 8.2829 109.6304 59.7898 72.4719 173.9098 58 V 4.4840 8.4916 121.1533 60.4585 34.4675 174.2326 59 C 4.8862 9.2298 125.3938 58.0369 29.6841 173.0965 60 I 4.9933 8.2764 117.5190 59.1531 39.6798 174.7827 61 S 4.9241 9.0007 122.3180 56.8784 64.6453 173.0090 62 S 5.7441 8.5142 121.6786 57.2841 65.7777 173.1440 *63 Y 4.6585 8.3960 124.7254 55.2857 39.8803 171.1283 64 D 4.7417 8.7932 125.2077 53.6671 41.8999 176.7195 65 H 4.8076 9.4258 120.8605 54.1211 29.5955 174.1127 66 D 4.6347 8.6910 124.5377 54.0509 39.0084 174.1178 67 N 5.0390 8.8047 116.5839 52.6564 38.9268 174.5851 68 Q 4.5505 7.9772 118.7641 54.8858 32.4289 173.4105 69 R 4.7594 8.3967 121.5507 54.4635 32.6187 175.3328 70 E 4.4030 8.8349 125.0205 55.0004 30.5914 174.7416 71 L 5.1049 8.4913 129.4491 54.3680 44.0792 177.4982 72 K 4.4022 8.6114 124.7134 54.3052 36.3245 176.0039 73 V 4.2381 8.4706 126.8244 61.2192 30.7693 175.5237 74 L 4.2647 8.7561 129.6190 57.2717 42.3271 178.0749 75 K 4.6481 7.8282 118.6892 54.9120 35.7704 174.8080 76 R 5.0568 8.5602 126.2317 54.3908 33.1059 174.2070 77 A 4.4740 9.1863 130.6398 51.7342 19.4721 178.0320 78 E 3.9766 8.7114 118.7718 56.5998 30.5195 173.2445 79 G 3.8617 8.4322 107.7452 44.1634 0.0000 173.2533 80 D 4.6985 8.8489 115.3993 52.7566 39.8019 177.7809 81 G 3.7836 8.2787 107.1313 45.9711 0.0000 172.8855 82 E 4.3900 8.2066 120.5376 57.7569 29.5798 176.9697 83 G 4.0935 9.4297 114.5133 45.5040 0.0000 171.6516 84 F 5.3049 8.5538 117.9499 55.5978 42.6652 174.4075 85 I 4.4780 8.1291 121.4208 59.6788 39.2442 174.8478 86 V 4.6239 8.5703 127.8595 61.3768 33.1249 174.1308 87 I 5.2327 8.4769 128.4263 58.4382 40.9456 173.6802 88 D 5.2044 8.1722 126.7420 52.3822 44.5941 175.6473 89 D 4.6810 8.8990 122.1837 56.3591 40.6514 175.6324 90 L 5.1448 7.8390 116.2197 55.2529 43.8213 174.8480 91 V 3.9617 8.1288 117.8656 61.0970 33.9919 173.8016 92 D 4.6217 9.1157 126.9519 55.4362 40.7301 177.6630 93 T 4.0509 8.3090 113.2366 62.7294 70.3881 176.5103 94 G 4.0251 8.4796 109.7471 44.9059 0.0000 175.1045 95 G 3.6809 8.0438 107.6208 48.2832 0.0000 176.1800 96 T 3.9802 7.8774 117.5303 66.0856 68.5525 176.4803 97 A 3.6802 8.0377 122.2643 55.1571 18.1990 179.5633 98 V 3.4192 7.8908 116.3438 66.1865 31.6873 178.0930 99 A 3.9468 7.5466 118.9767 55.1278 18.1842 179.7405 100 I 3.6219 7.7409 118.3183 64.5591 37.1804 178.5386 101 R 3.9383 7.8471 119.5699 59.4227 29.4757 178.2752 102 E 3.8611 7.5493 117.5753 59.6466 29.5969 178.8223 103 M 3.9740 7.5444 116.8988 57.2636 33.0913 176.8892 104 Y 4.8404 7.8930 117.1048 55.3296 38.0492 174.3793 105 P 4.6121 0.0000 0.0000 65.3491 32.0520 178.3891 106 K 4.5186 8.1535 117.2776 54.5519 31.6675 177.7865 107 A 5.0885 7.4148 120.1473 51.6273 21.4466 178.0003 108 H 4.7988 8.9415 120.9763 55.4456 30.3375 173.4353 109 F 5.2102 9.4979 129.4537 57.5159 40.6419 174.7660 110 V 4.8358 8.3891 119.0319 59.8953 36.4846 174.3320 111 T 5.4167 8.0278 110.9358 59.9708 72.5251 174.8414 112 I 3.6788 8.3638 121.2583 63.4818 38.4961 176.1702 113 F 5.4132 7.9386 119.5809 55.8493 42.2719 174.9675 114 A 4.6165 8.4905 122.8245 50.8777 22.4532 176.4705 115 K 5.1372 8.5498 122.5548 54.3900 33.6408 176.6170 116 P 4.1008 0.0000 0.0000 65.9245 31.5193 178.2540 117 A 4.0773 8.6891 120.4329 55.2741 18.4729 178.9387 118 G 3.7820 7.6284 102.1098 46.7066 0.0000 175.5267 119 R 3.6164 7.8755 120.7527 59.1787 29.6916 176.1433 120 P 4.2503 0.0000 0.0000 64.1926 31.6341 177.6346 121 L 4.2851 7.8139 117.1820 55.2925 42.2101 177.1736 122 V 4.5476 6.6628 111.5248 60.1807 32.9685 175.9643 123 D 4.6569 8.9859 123.7647 57.4576 41.5870 176.3026 124 D 4.8014 7.8381 115.2377 53.6895 44.6611 173.8132 125 Y 5.8286 7.9522 120.8097 56.8295 40.9073 173.8219 126 V 3.9917 8.5058 116.9615 63.8450 33.5272 175.6844 127 V 4.5025 7.9865 120.2408 61.0079 34.3216 173.8772 128 D 5.2714 8.7833 127.1632 53.7297 42.1335 175.8859 129 I 4.4879 8.1358 123.1508 58.5723 41.3308 173.7475 130 P 4.6521 0.0000 0.0000 62.4193 32.0274 177.4767 131 Q 4.0179 8.6377 120.2416 59.1671 28.7337 177.9892 132 D 4.5050 7.9760 115.2812 55.3943 39.9514 176.0689 133 T 4.5076 7.3823 117.4824 62.6829 69.5051 174.0237 134 W 4.6084 8.9293 135.0000 56.3012 32.3913 174.9329 135 I 4.2739 7.3370 128.3545 60.3646 37.6843 174.9755 136 E 4.2285 8.9570 130.1002 54.6168 30.4000 175.6725 137 Q 3.7504 7.9170 126.3477 54.4218 29.8702 175.8676 138 P 3.6555 0.0000 0.0000 64.8932 31.2241 178.6349 139 W 4.5988 6.5302 113.1386 58.1160 28.3953 176.2128 140 D 4.7659 7.3134 117.5900 54.5093 40.8876 175.3407 141 M 4.7500 7.1062 118.4109 53.6658 34.9947 174.6411 142 G 4.0358 7.8902 105.6344 45.0936 0.0000 173.6546 143 V 3.9363 8.3910 121.0288 61.8878 31.0676 175.5686 144 V 4.6289 7.8666 119.2972 58.8691 35.7248 175.2557 145 F 4.1433 8.8160 123.3477 58.4177 39.5764 174.3696 146 V 4.0525 7.0849 126.5955 59.8986 33.3867 173.3438 147 P 4.1831 0.0000 0.0000 61.8635 31.8180 174.6627 148 P 4.4179 0.0000 0.0000 62.4275 31.9269 176.9178 149 I 3.8631 8.3186 121.5533 63.5440 37.3049 176.9165 150 S 4.7626 7.7540 112.7103 56.4516 65.5117 173.3562 151 G 4.0304 8.5229 110.6330 45.7859 0.0000 173.7249 152 R 4.0486 7.9530 125.5978 56.2226 30.1069 176.0915 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 E 8.30 4.46 0.00 1.99 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 2.31 2.37 0.00 4 K 8.75 5.00 0.00 1.70 1.72 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 5 Y 9.91 4.45 0.00 2.90 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 6 I 7.83 4.09 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.76 0.00 0.00 7 V 7.96 4.19 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 0.88 0.00 0.00 0.68 0.00 0.00 8 T 8.18 4.18 4.26 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 1.14 0.00 0.00 9 W 8.65 4.25 0.00 3.43 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 10 D 8.29 4.46 0.00 2.73 2.76 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 11 M 7.77 4.00 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.00 4.06 0.00 1.89 1.95 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.32 4.01 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.74 3.71 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.88 0.00 0.00 15 H 8.22 4.25 0.00 3.22 3.13 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.26 3.99 1.41 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 0.00 0.00 17 R 8.25 3.94 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 18 K 7.61 3.91 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.64 7.81 19 L 7.89 4.01 0.00 1.69 1.79 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.15 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.13 0.00 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 0.00 22 R 7.78 4.20 0.00 2.04 2.03 0.00 3.14 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 23 L 7.32 4.62 0.00 1.81 1.84 0.75 0.79 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 24 M 7.00 4.37 0.00 2.11 2.14 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 2.66 2.88 0.00 25 P 0.00 4.58 0.00 1.95 2.06 0.00 3.55 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 1.95 2.03 0.00 26 S 8.37 4.77 0.00 4.12 4.19 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 27 E 7.96 4.05 0.00 1.87 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 0.00 2.27 2.32 0.00 28 Q 7.57 3.83 0.00 1.48 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 29 W 7.12 5.14 0.00 3.18 2.97 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 0.00 30 K 9.24 3.89 0.00 1.01 1.23 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.33 7.81 31 G 6.20 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 32 I 8.17 5.14 1.86 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 1.09 0.89 0.92 0.00 0.00 33 I 9.26 4.73 1.64 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.54 0.00 0.00 34 A 8.96 4.73 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 35 V 8.68 4.03 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 0.91 0.00 0.00 1.08 0.00 0.00 36 S 8.38 4.44 0.00 3.85 3.74 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 37 R 8.70 4.34 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.70 3.66 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 0.00 0.00 0.00 39 G 8.52 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 40 L 7.74 3.85 0.00 1.63 1.61 0.82 0.66 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 41 V 7.28 3.59 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 1.49 0.00 0.00 0.96 0.00 0.00 42 P 0.00 4.45 0.00 2.20 2.11 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 43 G 8.43 3.56 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 0.00 44 A 8.11 4.06 1.41 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 0.00 0.00 45 L 8.04 4.02 0.00 1.92 1.76 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.09 3.97 0.00 1.80 1.63 0.80 0.58 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 47 A 8.03 4.05 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 48 R 7.62 3.83 0.00 1.94 2.12 0.00 3.44 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 49 E 7.87 4.11 0.00 2.01 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 2.59 2.50 0.00 50 L 8.36 4.33 0.00 1.65 1.79 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.01 3.84 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 52 I 7.80 4.08 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.97 0.00 0.00 53 R 8.52 4.16 0.00 1.82 1.83 0.00 3.26 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 54 H 8.04 4.59 0.00 3.29 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.13 4.82 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 0.83 0.00 0.00 0.93 0.00 0.00 56 D 9.64 5.20 0.00 2.72 2.47 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 57 T 8.28 5.30 4.22 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 1.18 0.00 0.00 58 V 8.49 4.48 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 0.83 0.00 0.00 1.17 0.00 0.00 59 C 9.23 4.89 0.00 2.96 2.91 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 60 I 8.28 4.99 1.88 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 1.26 0.68 0.94 0.00 0.00 61 S 9.00 4.92 0.00 3.93 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 62 S 8.51 5.74 0.00 3.85 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 *63 Y 8.40 4.66 0.00 1.98 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 0.00 0.00 0.00 0.00 64 D 8.79 4.74 0.00 2.55 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 0.00 0.00 0.00 0.00 65 H 9.43 4.81 0.00 3.09 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.69 4.63 0.00 2.86 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 67 N 8.80 5.04 0.00 2.78 2.85 0.00 0.00 5.64 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.98 4.55 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 69 R 8.40 4.76 0.00 1.70 1.79 0.00 3.25 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 70 E 8.83 4.40 0.00 1.91 1.77 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 2.23 2.28 0.00 71 L 8.49 5.10 0.00 1.55 1.56 0.91 0.85 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 72 K 8.61 4.40 0.00 1.41 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.26 7.81 73 V 8.47 4.24 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 0.94 0.00 0.00 0.91 0.00 0.00 74 L 8.76 4.26 0.00 1.58 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.83 4.65 0.00 1.75 1.59 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 76 R 8.56 5.06 0.00 1.82 1.74 0.00 3.19 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 77 A 9.19 4.47 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 78 E 8.71 3.98 0.00 2.00 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 0.00 2.23 1.88 0.00 79 G 8.43 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 80 D 8.85 4.70 0.00 2.93 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 81 G 8.28 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 82 E 8.21 4.39 0.00 2.17 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 2.43 2.35 0.00 83 G 9.43 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 0.00 0.00 0.00 84 F 8.55 5.30 0.00 3.20 2.95 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 85 I 8.13 4.48 1.54 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.64 0.00 0.00 86 V 8.57 4.62 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.86 0.00 0.00 87 I 8.48 5.23 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.45 0.85 0.00 0.00 88 D 8.17 5.20 0.00 2.85 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 89 D 8.90 4.68 0.00 3.12 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.84 5.14 0.00 1.64 1.82 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.13 3.96 2.14 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 0.62 0.00 0.00 0.99 0.00 0.00 92 D 9.12 4.62 0.00 2.70 2.48 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 93 T 8.31 4.05 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 1.23 0.00 0.00 94 G 8.48 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 0.00 0.00 0.00 95 G 8.04 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 0.00 0.00 0.00 96 T 7.88 3.98 4.30 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 1.25 0.00 0.00 97 A 8.04 3.68 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 0.00 0.00 98 V 7.89 3.42 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 0.97 0.00 0.00 1.00 0.00 0.00 99 A 7.55 3.95 1.33 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 0.00 0.00 0.00 100 I 7.74 3.62 1.46 0.00 0.00 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 1.61 0.72 0.83 0.00 0.00 101 R 7.85 3.94 0.00 1.73 1.97 0.00 3.17 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 102 E 7.55 3.86 0.00 2.06 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 2.43 2.44 0.00 103 M 7.54 3.97 0.00 1.18 1.69 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.37 0.00 104 Y 7.89 4.84 0.00 2.91 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 0.00 105 P 0.00 4.61 0.00 2.06 2.12 0.00 3.87 0.00 0.00 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 106 K 8.15 4.52 0.00 1.79 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.25 7.81 107 A 7.41 5.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.94 4.80 0.00 3.53 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.50 5.21 0.00 3.13 2.95 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 0.00 110 V 8.39 4.84 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 0.65 0.00 0.00 0.76 0.00 0.00 111 T 8.03 5.42 4.15 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 0.90 0.00 0.00 112 I 8.36 3.68 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 -0.02 0.00 0.00 113 F 7.94 5.41 0.00 2.92 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 0.00 114 A 8.49 4.62 0.45 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 0.00 0.00 115 K 8.55 5.14 0.00 1.84 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.15 7.81 116 P 0.00 4.10 0.00 2.01 2.10 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 117 A 8.69 4.08 1.41 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 0.00 0.00 118 G 7.63 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 0.00 119 R 7.88 3.62 0.00 1.92 1.98 0.00 3.17 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 0.00 120 P 0.00 4.25 0.00 2.07 2.10 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 121 L 7.81 4.29 0.00 1.83 1.77 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.66 4.55 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 0.65 0.00 0.00 0.98 0.00 0.00 123 D 8.99 4.66 0.00 2.54 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 0.00 124 D 7.84 4.80 0.00 2.76 2.38 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 0.00 125 Y 7.95 5.83 0.00 2.87 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 0.00 126 V 8.51 3.99 1.95 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 0.67 0.00 0.00 0.85 0.00 0.00 127 V 7.99 4.50 2.14 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 0.98 0.00 0.00 0.59 0.00 0.00 128 D 8.78 5.27 0.00 2.65 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 0.00 129 I 8.14 4.49 1.69 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.92 0.62 0.00 0.00 130 P 0.00 4.65 0.00 2.14 1.95 0.00 3.48 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 2.08 2.07 0.00 131 Q 8.64 4.02 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 132 D 7.98 4.51 0.00 2.93 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 0.00 133 T 7.38 4.51 4.30 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 1.23 0.00 0.00 134 W 8.93 4.61 0.00 3.43 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 0.00 135 I 7.34 4.27 1.26 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.27 0.17 0.00 0.00 136 E 8.96 4.23 0.00 2.05 1.70 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 2.19 2.21 0.00 137 Q 7.92 3.75 0.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.67 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 138 P 0.00 3.66 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.65 0.00 139 W 6.53 4.60 0.00 3.46 3.51 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 0.00 140 D 7.31 4.77 0.00 2.67 2.76 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 0.00 141 M 7.11 4.75 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 142 G 7.89 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 0.00 143 V 8.39 3.94 2.13 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.87 4.63 2.16 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.82 4.14 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 4.05 1.84 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 0.76 0.00 0.00 0.89 0.00 0.00 147 P 0.00 4.18 0.00 2.05 2.04 0.00 3.63 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 2.08 2.32 0.00 148 P 0.00 4.42 0.00 2.25 1.98 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 2.07 2.12 0.00 149 I 8.32 3.86 1.85 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 1.44 0.71 0.90 0.00 0.00 150 S 7.75 4.76 0.00 3.92 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 0.00 151 G 8.52 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 0.00 0.00 0.00 152 R 7.95 4.05 0.00 1.79 1.83 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.