NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3278 8.3044 120.3382 54.7826 33.5924 174.6795 2 K 3.9170 8.2641 126.7789 54.6551 33.2765 174.0130 3 S 5.0156 8.9937 122.1320 56.7598 66.4396 172.1241 4 Y 4.8631 8.6391 118.3977 56.3136 42.3021 174.1451 5 E 5.1145 10.1224 121.5348 54.9737 31.8332 175.2435 6 I 5.2024 9.3624 125.3076 59.3942 40.9476 174.4165 7 A 5.1989 8.8596 127.2380 50.1712 22.2230 174.9791 8 L 5.0331 9.1240 122.1606 53.8431 43.7885 175.7460 9 I 4.7209 8.1223 122.1330 59.5506 42.1250 173.7182 10 G 4.2945 8.2717 114.2272 45.9088 0.0000 172.0741 11 N 5.2139 7.9666 116.6252 51.6540 39.1146 173.2419 12 P 4.1744 0.0000 0.0000 64.1360 31.7877 176.4779 13 N 4.4548 8.8341 118.8541 54.0814 37.1953 175.1726 14 V 3.8016 7.5037 108.9218 62.3202 32.2386 176.6801 15 G 4.2204 8.2623 109.5805 45.6497 0.0000 176.1680 16 K 3.9443 8.4780 120.6878 59.4547 32.0572 179.1078 17 S 4.2195 7.9882 114.8006 61.8186 62.8183 176.6357 18 T 3.9097 7.9063 117.9910 66.7787 68.1509 176.5893 19 I 3.7166 7.9598 121.6502 64.0895 37.1095 177.9439 20 F 4.0215 8.6273 121.9904 61.6740 39.1735 176.9105 21 N 4.3246 8.8539 115.9888 56.4355 38.1503 177.3658 22 A 4.0614 7.8541 121.0229 54.8251 18.4589 179.4665 23 L 3.7466 7.8685 117.5204 57.2720 41.8932 178.7253 24 T 4.5484 7.6413 106.4630 60.6232 69.7662 175.7912 25 G 3.8775 8.4200 109.6995 45.6996 0.0000 173.5023 26 E 4.1219 7.5897 118.6637 56.4371 30.6311 176.1991 27 N 4.2261 8.7828 114.9555 54.4194 35.6556 175.5933 28 V 3.6030 7.5701 116.5002 64.1960 32.2017 177.3661 *38 V 3.8437 7.4034 118.4214 60.8981 32.2319 174.4587 39 E 4.2608 8.4627 122.1295 55.7353 30.0710 176.7900 40 K 4.1949 8.8243 126.3098 56.6419 32.7827 176.9610 41 K 3.9589 8.4635 119.6092 55.8786 34.0093 175.1375 42 E 5.3172 7.9851 119.3736 55.0574 33.1201 175.4939 43 G 4.3323 9.1524 109.4700 46.6412 0.0000 171.4792 44 E 5.4900 8.5725 116.4005 55.4517 32.4872 174.0603 45 F 5.1550 8.7496 115.0495 55.4500 42.1136 172.6153 46 E 5.3202 9.0387 119.6010 54.8724 32.2804 174.6119 47 Y 4.7284 9.3951 126.1022 57.7081 42.2564 174.2762 48 N 3.8868 9.2735 125.7816 54.6625 37.4538 174.6023 49 G 3.9779 8.4910 101.7824 45.3290 0.0000 173.1943 50 E 4.8607 8.2781 118.5550 54.1277 33.6369 174.6415 51 K 4.7811 8.6255 123.7582 54.8644 34.7524 175.1351 52 F 4.9556 8.6802 125.5733 55.5437 41.8526 174.2530 53 K 4.7926 9.0732 125.0828 55.5097 33.6377 176.2503 54 V 4.9908 9.2435 125.3350 61.0945 34.3986 174.2415 55 V 4.8776 8.8412 127.4123 61.1952 34.3944 173.8624 56 D 4.9975 8.6482 128.2878 52.6903 41.1628 175.8859 57 L 4.2043 8.2169 126.3990 53.3218 42.6092 175.7467 58 P 4.1595 0.0000 0.0000 62.6832 31.8363 176.7597 59 G 3.6542 8.4308 111.2364 45.9192 0.0000 173.2174 60 V 4.4587 8.2136 115.8997 60.0792 35.8263 175.5415 61 Y 4.4867 8.6495 118.5752 58.5662 38.6625 175.3881 62 S 4.7673 7.6256 111.7470 58.1584 65.8415 174.6669 63 L 4.8330 9.3293 119.0694 54.8002 41.1342 177.0675 64 T 4.4394 8.2468 106.9040 61.4314 68.2789 173.2536 65 A 3.7871 8.0522 118.7179 53.3576 15.9077 178.1981 66 N 4.8983 8.0661 113.8725 53.3607 39.6512 175.4420 67 S 4.5873 7.1637 112.6088 56.9444 66.3313 176.8795 68 I 3.8663 7.8944 122.5252 63.9569 36.7429 178.5265 69 D 4.3413 7.9953 119.9340 57.4284 40.7178 178.3212 70 E 4.0009 8.0560 118.7177 59.2690 29.3978 179.4680 71 I 3.7183 7.9180 119.8916 64.5477 37.3497 178.5418 72 I 3.7347 8.2552 120.7629 64.2399 37.0304 178.4750 73 A 4.0067 8.3569 121.9485 55.1772 18.2717 179.6570 74 R 3.8778 8.3358 117.6600 59.5485 30.1554 178.1160 75 D 4.3284 8.3082 117.8965 57.5785 41.2891 177.5556 76 Y 3.9774 7.9720 119.6096 60.8477 38.3416 178.3100 77 I 3.8303 7.8250 120.2368 64.4222 37.0536 178.5098 78 I 3.6228 7.8041 119.6620 63.7762 37.0762 177.3277 79 N 4.6285 8.3281 116.0033 54.7772 39.4216 176.2656 80 E 3.8566 7.7822 117.8304 56.4535 30.4351 176.4977 81 K 3.8312 7.1507 117.5453 56.4244 29.8885 173.3110 82 P 4.4584 0.0000 0.0000 62.8154 32.3857 176.9399 83 D 4.6471 8.5651 120.7874 57.1811 41.5483 176.8660 84 L 4.8723 7.8748 118.8338 53.3361 46.2461 175.1198 85 V 4.5375 9.1020 126.2972 61.4384 33.5051 174.8824 86 V 4.1315 8.8849 130.3272 61.7619 32.3457 174.5484 87 N 5.0066 9.0558 129.2276 52.7194 39.5952 173.7564 88 I 4.6577 8.4994 128.8043 60.5651 38.1990 175.9283 89 V 4.6208 9.0270 126.9479 60.9486 35.3671 173.7508 90 D 4.9600 8.9879 126.4053 53.0878 41.4603 177.0639 91 A 4.0478 8.9410 130.8172 55.1572 18.5078 177.9562 92 T 4.2952 8.6058 103.9438 62.1731 70.0590 175.2210 93 A 4.6822 7.9329 125.9487 50.0382 19.7399 177.3802 94 L 3.9400 8.1035 127.3331 58.3551 42.4797 177.3107 95 E 3.9249 8.1419 117.1549 59.3680 30.0277 178.1127 96 R 4.0766 8.0459 118.0629 59.7749 29.6521 178.0734 97 N 4.5547 8.1305 115.6282 56.2581 38.5353 177.1955 98 L 4.3477 8.3021 121.1613 56.2360 41.3929 178.7374 99 Y 3.9822 7.6899 119.4372 60.6539 38.8055 177.7301 100 L 4.0105 7.8664 120.5505 58.3066 42.0704 178.7138 101 T 3.8829 8.0149 115.2900 66.9681 68.4272 176.2012 102 L 3.9643 8.0364 120.5455 57.8967 41.5678 179.6995 103 Q 3.9306 7.7066 117.9051 58.8124 28.4703 178.7281 104 L 4.0107 8.0482 120.0669 58.0439 41.6515 179.4180 105 M 4.0517 8.1379 118.6415 58.4543 31.6686 178.4898 106 E 3.9638 7.9637 118.4169 59.3851 29.9050 178.4570 107 M 4.2433 7.8868 117.7752 56.2919 31.9183 177.4095 108 G 3.8330 7.7440 106.4187 45.5546 0.0000 173.5320 109 A 4.1781 7.4127 120.8371 51.5067 19.4786 177.8713 110 N 4.5517 8.7713 119.5816 53.4307 39.9009 173.7746 111 L 5.3372 8.5188 125.8072 52.9376 45.1634 175.8364 112 L 4.7267 8.5913 123.0519 53.4784 46.1747 174.7720 113 L 4.9315 8.9865 126.2372 53.4013 43.6716 175.4643 114 A 4.7272 8.8008 127.3169 50.8382 20.2299 175.7916 115 L 4.7313 8.8477 126.6250 54.6863 41.9176 175.6248 116 N 5.0026 9.3589 125.3247 51.8858 41.7342 174.0110 117 K 4.3050 8.4564 115.9288 57.2843 29.6505 178.4300 118 M 4.1335 7.9157 120.8267 58.2211 31.9050 177.8513 119 D 4.3357 8.0666 119.6460 56.4209 39.3597 178.4834 120 L 4.0116 7.8955 121.2676 57.6392 42.1086 178.5529 121 A 3.9838 7.9131 120.5762 55.0579 18.2844 179.4986 122 K 3.8940 8.2064 118.3957 59.6322 32.1247 178.9474 123 S 4.3649 7.9823 112.4484 59.9882 63.0982 175.2006 124 L 4.6499 7.2773 121.4921 53.5723 41.8495 176.2485 125 G 3.8685 7.6678 105.9025 46.5258 0.0000 173.9600 126 I 4.1039 8.0131 121.5357 59.6495 37.5439 175.1058 127 E 4.3949 8.6463 126.8974 54.6383 30.5092 174.9819 128 I 4.3182 8.1048 126.5932 59.1697 39.3834 175.8076 129 D 4.5190 8.4919 125.5704 53.4405 40.6954 176.3167 130 V 3.5905 8.1433 126.6425 65.9185 31.6160 177.1585 131 D 4.3397 8.0918 118.1130 57.2910 40.7365 178.5575 132 K 3.9482 8.2403 119.8782 59.1666 32.1576 178.5412 133 L 3.9245 7.9655 120.7121 58.3456 42.0353 178.7671 134 E 4.2757 7.9764 119.5755 58.9229 29.1517 179.6311 135 K 4.1261 7.6221 117.5701 59.3186 32.2335 179.2337 136 I 3.8639 7.6239 119.4642 64.1851 37.0652 177.9830 137 L 4.2821 7.8887 118.9726 55.1235 41.7816 177.6438 138 G 3.8615 8.5601 105.9527 46.3179 0.0000 173.2612 139 V 4.4320 7.3644 117.2352 59.9432 34.8952 174.2003 140 K 4.3220 8.5283 127.3197 56.5909 33.4214 175.3775 141 V 4.7221 8.5671 126.3459 61.1028 34.0466 174.5287 142 V 4.3585 8.9044 129.0996 60.3330 33.0545 172.9294 143 P 5.0405 0.0000 0.0000 62.9394 32.4628 175.3780 144 L 4.4194 8.6287 121.1076 55.3608 44.5068 174.2478 145 S 4.6259 8.8204 115.4268 56.1773 63.1427 174.8145 146 A 3.8661 9.4183 127.3975 54.8508 18.6517 180.2215 147 A 4.0367 7.9937 117.0542 54.2908 18.4221 178.0114 148 K 4.3864 8.2512 114.5687 55.1686 32.4882 176.6493 149 K 3.9520 7.7509 117.2107 57.5352 30.4697 174.5793 150 M 4.3756 7.5813 117.9837 55.0647 33.5144 177.5030 151 G 4.5137 8.8201 111.7576 46.4100 0.0000 174.9763 152 I 3.5325 7.6179 121.1768 64.3467 37.0009 177.7291 153 E 3.8260 7.9938 119.6049 59.0643 29.4946 178.3537 154 E 3.8441 8.0584 118.3346 59.2384 29.4351 178.9475 155 L 3.8107 7.7192 120.2280 58.0499 42.1873 179.1422 156 K 3.5068 7.7098 118.4000 58.9758 31.7353 179.3018 157 K 3.1843 7.6943 119.7727 59.3266 32.1388 178.7910 158 A 3.9522 8.2633 121.3046 55.1103 18.2903 179.7257 159 I 3.5751 7.8543 118.9817 64.5097 36.9675 178.8281 160 S 4.2423 7.5484 113.7425 61.2210 62.8777 176.2747 161 I 3.9462 7.5612 123.1589 63.9957 37.0392 178.0167 162 A 3.9956 8.1549 121.7660 55.1827 17.9739 179.9727 163 V 3.6459 7.5033 109.4235 63.4562 31.6001 177.7747 164 K 4.3933 7.4751 116.5360 56.4515 32.3422 176.3269 165 D 4.5732 7.9399 124.9927 54.3594 41.1790 175.8351 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 1 M 8.30 4.33 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 2 K 8.26 3.92 0.00 1.86 1.52 0.00 1.14 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.77 7.81 3 S 8.99 5.02 0.00 3.68 3.60 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 4 Y 8.64 4.86 0.00 2.66 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 5 E 10.12 5.11 0.00 1.92 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 2.26 2.43 0.00 6 I 9.36 5.20 2.12 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 1.38 1.25 1.04 0.00 0.00 7 A 8.86 5.20 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 8 L 9.12 5.03 0.00 1.59 1.62 1.10 0.61 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 9 I 8.12 4.72 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.50 0.93 0.00 0.00 10 G 8.27 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 11 N 7.97 5.21 0.00 2.68 2.48 0.00 0.00 7.62 8.03 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 12 P 0.00 4.17 0.00 1.96 1.90 0.00 2.46 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 13 N 8.83 4.45 0.00 2.85 2.98 0.00 0.00 7.09 7.71 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 14 V 7.50 3.80 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 0.79 0.00 0.00 0.95 0.00 0.00 15 G 8.26 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 0.00 0.00 0.00 0.00 16 K 8.48 3.94 0.00 1.78 2.05 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 17 S 7.99 4.22 0.00 3.86 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 18 T 7.91 3.91 4.36 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 1.21 0.00 0.00 19 I 7.96 3.72 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.88 0.00 0.00 20 F 8.63 4.02 0.00 3.18 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 21 N 8.85 4.32 0.00 2.82 2.97 0.00 0.00 7.02 7.47 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 22 A 7.85 4.06 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 23 L 7.87 3.75 0.00 1.53 1.33 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.64 4.55 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 0.82 0.00 0.00 25 G 8.42 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 26 E 7.59 4.12 0.00 2.14 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 0.00 2.34 2.53 0.00 27 N 8.78 4.23 0.00 3.06 2.88 0.00 0.00 6.89 7.68 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 28 V 7.57 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 0.76 0.00 0.00 0.94 0.00 0.00 *38 V 7.40 3.84 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 0.70 0.00 0.00 0.92 0.00 0.00 39 E 8.46 4.26 0.00 1.92 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 0.00 2.16 2.29 0.00 40 K 8.82 4.19 0.00 1.93 1.80 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.87 7.81 41 K 8.46 3.96 0.00 1.56 1.57 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.20 7.81 42 E 7.99 5.32 0.00 1.86 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 2.25 2.28 0.00 43 G 9.15 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 0.00 0.00 0.00 0.00 44 E 8.57 5.49 0.00 1.99 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 2.21 2.34 0.00 45 F 8.75 5.16 0.00 3.08 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 46 E 9.04 5.32 0.00 2.07 1.96 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 2.25 2.37 0.00 47 Y 9.40 4.73 0.00 3.29 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 48 N 9.27 3.89 0.00 2.25 2.81 0.00 0.00 7.23 7.98 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 49 G 8.49 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 0.00 0.00 0.00 50 E 8.28 4.86 0.00 2.05 1.67 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 2.24 2.30 0.00 51 K 8.63 4.78 0.00 1.69 1.47 0.00 1.49 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.33 7.81 52 F 8.68 4.96 0.00 1.51 2.49 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 53 K 9.07 4.79 0.00 1.90 1.78 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.36 7.81 54 V 9.24 4.99 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 1.16 0.00 0.00 1.24 0.00 0.00 55 V 8.84 4.88 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 0.63 0.00 0.00 1.01 0.00 0.00 56 D 8.65 5.00 0.00 2.17 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 57 L 8.22 4.20 0.00 1.62 1.50 0.91 0.64 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 58 P 0.00 4.16 0.00 2.00 2.08 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 59 G 8.43 3.65 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 0.00 0.00 0.00 60 V 8.21 4.46 2.27 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 0.81 0.00 0.00 0.91 0.00 0.00 61 Y 8.65 4.49 0.00 3.01 2.99 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 62 S 7.63 4.77 0.00 4.34 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 0.00 63 L 9.33 4.83 0.00 1.59 1.67 0.94 0.79 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 64 T 8.25 4.44 4.34 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 1.38 0.00 0.00 65 A 8.05 3.79 1.35 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 0.00 0.00 66 N 8.07 4.90 0.00 2.74 2.84 0.00 0.00 7.05 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 67 S 7.16 4.59 0.00 4.00 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 68 I 7.89 3.87 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 1.65 0.80 0.92 0.00 0.00 69 D 8.00 4.34 0.00 2.69 2.70 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 70 E 8.06 4.00 0.00 2.15 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 0.00 2.46 2.39 0.00 71 I 7.92 3.72 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.91 0.93 0.00 0.00 72 I 8.26 3.73 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.92 0.00 0.00 73 A 8.36 4.01 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 74 R 8.34 3.88 0.00 1.94 2.03 0.00 3.13 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 75 D 8.31 4.33 0.00 2.78 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 76 Y 7.97 3.98 0.00 3.20 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 77 I 7.82 3.83 1.93 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 1.67 0.99 0.95 0.00 0.00 78 I 7.80 3.62 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 1.52 0.57 0.90 0.00 0.00 79 N 8.33 4.63 0.00 2.82 2.81 0.00 0.00 7.08 7.59 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 80 E 7.78 3.86 0.00 1.16 1.38 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 2.03 2.07 0.00 81 K 7.15 3.83 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.46 7.81 82 P 0.00 4.46 0.00 2.45 2.28 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 83 D 8.57 4.65 0.00 2.90 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 84 L 7.87 4.87 0.00 1.75 1.51 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.10 4.54 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 0.91 0.00 0.00 1.01 0.00 0.00 86 V 8.88 4.13 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 0.85 0.00 0.00 0.96 0.00 0.00 87 N 9.06 5.01 0.00 2.89 2.71 0.00 0.00 6.92 8.58 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 88 I 8.50 4.66 1.86 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 1.11 0.83 0.90 0.00 0.00 89 V 9.03 4.62 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 0.91 0.00 0.00 0.94 0.00 0.00 90 D 8.99 4.96 0.00 2.79 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 91 A 8.94 4.05 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 92 T 8.61 4.30 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 1.21 0.00 0.00 93 A 7.93 4.68 1.28 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 0.00 0.00 94 L 8.10 3.94 0.00 1.78 1.69 0.93 0.82 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 95 E 8.14 3.92 0.00 2.02 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 2.34 2.41 0.00 96 R 8.05 4.08 0.00 1.94 2.13 0.00 3.37 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 97 N 8.13 4.55 0.00 3.01 2.88 0.00 0.00 7.08 6.68 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 98 L 8.30 4.35 0.00 1.73 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.69 3.98 0.00 3.19 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 0.00 100 L 7.87 4.01 0.00 2.14 1.88 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.01 3.88 4.41 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 1.21 0.00 0.00 102 L 8.04 3.96 0.00 1.67 1.62 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.71 3.93 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 104 L 8.05 4.01 0.00 1.86 1.72 0.93 0.79 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 0.00 105 M 8.14 4.05 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 106 E 7.96 3.96 0.00 1.94 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 2.30 2.33 0.00 107 M 7.89 4.24 0.00 2.05 2.30 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 2.81 2.56 0.00 108 G 7.74 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 0.00 109 A 7.41 4.18 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 0.00 110 N 8.77 4.55 0.00 2.89 2.86 0.00 0.00 6.85 6.66 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 0.00 111 L 8.52 5.34 0.00 1.53 1.53 0.90 1.01 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 0.00 112 L 8.59 4.73 0.00 1.71 1.42 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.99 4.93 0.00 1.79 1.57 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.80 4.73 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 0.00 115 L 8.85 4.73 0.00 1.75 1.70 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 N 9.36 5.00 0.00 2.83 2.66 0.00 0.00 7.12 7.26 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 0.00 117 K 8.46 4.30 0.00 2.12 1.87 0.00 2.17 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.40 7.81 118 M 7.92 4.13 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.94 0.00 119 D 8.07 4.34 0.00 2.92 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 0.00 120 L 7.90 4.01 0.00 1.77 1.86 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.91 3.98 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 0.00 122 K 8.21 3.89 0.00 1.91 1.96 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 123 S 7.98 4.36 0.00 4.09 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 0.00 124 L 7.28 4.65 0.00 1.56 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.67 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 0.00 126 I 8.01 4.10 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.91 0.00 0.00 127 E 8.65 4.39 0.00 1.90 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 0.00 2.23 2.37 0.00 128 I 8.10 4.32 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.91 0.00 0.00 129 D 8.49 4.52 0.00 2.71 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 0.00 130 V 8.14 3.59 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 1.00 0.00 0.00 0.97 0.00 0.00 131 D 8.09 4.34 0.00 2.93 2.70 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 0.00 132 K 8.24 3.95 0.00 2.00 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 133 L 7.97 3.92 0.00 1.92 1.81 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.98 4.28 0.00 2.25 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 2.48 2.42 0.00 135 K 7.62 4.13 0.00 1.69 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 136 I 7.62 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.91 0.00 0.00 137 L 7.89 4.28 0.00 1.63 1.71 0.92 1.00 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 0.00 138 G 8.56 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 0.00 139 V 7.36 4.43 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 0.99 0.00 0.00 0.98 0.00 0.00 140 K 8.53 4.32 0.00 1.83 1.64 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.36 7.81 141 V 8.57 4.72 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 0.98 0.00 0.00 142 V 8.90 4.36 2.03 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 0.96 0.00 0.00 0.88 0.00 0.00 143 P 0.00 5.04 0.00 2.10 2.02 0.00 3.82 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 1.96 1.94 0.00 144 L 8.63 4.42 0.00 1.93 1.72 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.82 4.63 0.00 3.73 3.77 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 0.00 146 A 9.42 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.99 4.04 1.28 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 0.00 0.00 148 K 8.25 4.39 0.00 1.98 1.80 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 149 K 7.75 3.95 0.00 1.81 1.83 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 150 M 7.58 4.38 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 151 G 8.82 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 0.00 0.00 0.00 0.00 152 I 7.62 3.53 1.77 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 1.45 0.97 0.76 0.00 0.00 153 E 7.99 3.83 0.00 2.00 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 2.39 2.45 0.00 154 E 8.06 3.84 0.00 2.18 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 2.39 0.00 155 L 7.72 3.81 0.00 1.74 1.65 0.84 0.63 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 0.00 156 K 7.71 3.51 0.00 1.52 1.21 0.00 1.55 0.00 0.00 1.40 0.00 0.00 2.18 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.08 7.81 157 K 7.69 3.18 0.00 1.78 1.74 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 158 A 8.26 3.95 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 0.00 159 I 7.85 3.58 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.78 0.00 0.00 160 S 7.55 4.24 0.00 4.33 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 0.00 161 I 7.56 3.95 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 0.90 0.00 0.00 162 A 8.15 4.00 1.35 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 0.00 0.00 163 V 7.50 3.65 1.59 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 0.79 0.00 0.00 0.35 0.00 0.00 164 K 7.48 4.39 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 165 D 7.94 4.57 0.00 2.74 2.53 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 * Residues marked with a * may have inaccurate shift predictions.