NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.7718 8.1648 122.9781 51.9854 19.9486 175.8913 *2 I 4.0594 7.9644 119.2536 61.6688 38.0117 176.2331 3 V 4.2150 8.5693 118.3827 62.1641 33.0447 176.4028 4 G 4.7459 7.5446 105.1115 46.0321 0.0000 172.0746 5 L 5.2946 8.4333 123.5787 53.0623 45.8549 175.3056 6 G 4.2830 9.0435 111.5622 45.1409 0.0000 171.2577 7 T 5.2502 8.2471 115.6739 60.7284 70.9123 172.2110 8 D 4.7664 8.7795 124.1308 53.1808 45.2570 173.6928 9 I 5.0240 8.4668 123.9106 59.1441 41.0704 174.1126 10 A 4.9256 9.4705 130.2981 50.0060 22.3322 174.8231 11 E 4.5240 8.8612 123.0002 55.4756 30.3743 177.3655 12 I 3.7200 8.5688 128.7403 64.4601 37.0672 178.0842 13 E 4.0617 8.0530 119.6697 59.3144 29.4546 178.9658 14 R 3.8571 7.7120 118.3239 58.9665 30.0601 179.2095 15 V 3.5408 7.6126 117.6944 65.8823 31.6858 177.7149 16 E 4.0131 8.3446 118.4619 59.5475 29.2259 179.5563 17 K 3.9379 8.3770 118.5406 59.3649 32.0217 179.2970 18 A 3.7097 7.8633 121.0717 54.9494 18.1030 179.7298 19 L 4.1435 8.1116 117.3807 57.9006 41.5007 179.5683 20 A 4.0696 7.9595 119.8321 54.5837 18.2748 179.5051 21 R 4.1656 7.3993 115.9801 58.5933 30.9064 178.3217 22 S 4.7101 8.4792 112.7505 56.0554 64.9235 175.9903 23 G 3.9864 8.6712 110.8404 46.1465 0.0000 175.6906 24 E 4.0564 9.1517 123.2201 59.4539 28.8100 178.1012 25 N 4.3978 7.8644 115.4221 56.0959 38.9580 177.0702 26 F 4.4445 8.2226 121.3914 61.3081 39.6227 176.9285 27 A 3.3753 8.0216 120.4030 55.1349 17.8938 179.8181 28 R 3.8095 8.0594 115.3531 58.7557 30.1340 178.8766 29 R 4.0261 7.5071 118.1265 58.8138 30.0802 177.7216 30 I 3.6726 7.1056 117.7900 61.4467 38.3063 175.8536 31 L 4.7965 7.1772 118.6111 53.0984 43.4999 177.1743 32 T 3.9415 8.5417 113.0265 61.3245 70.7505 175.4494 33 D 4.3753 8.6149 122.2171 58.0275 41.1604 179.3078 34 S 4.2888 7.9803 114.8857 61.7508 62.9219 176.4563 35 E 4.3834 8.0810 120.7872 59.2005 29.1953 179.1547 36 L 3.9672 8.0932 119.2735 57.7359 41.3546 179.2830 37 E 3.9748 7.5627 116.3945 59.7675 29.6428 179.2221 38 Q 4.1226 8.0532 117.3900 58.6104 28.8755 178.2249 39 F 2.8161 7.9179 121.7048 61.4022 39.2122 177.0301 40 H 4.0036 8.3476 114.1149 58.3105 28.5139 176.9209 41 A 4.1627 7.2122 120.8696 52.3170 19.0648 177.6757 42 S 4.1382 6.9539 112.1196 58.1977 62.9163 173.9366 43 K 4.3972 8.4258 123.6752 56.4433 33.1517 176.6269 44 Q 4.6594 7.9534 117.4563 54.2174 29.3717 176.3592 45 Q 3.9847 7.9523 120.0979 58.9098 29.2196 178.9700 46 G 3.7445 8.1468 106.3162 47.9635 0.0000 175.8492 47 R 3.9957 8.0207 120.1160 58.7612 30.2527 178.5069 48 F 4.0462 8.5411 120.6679 61.5365 39.4283 177.0738 49 L 4.1900 8.7736 119.7971 58.0047 41.8046 178.6029 50 A 4.1122 8.3641 120.9662 55.1800 18.2621 179.7945 51 K 3.9543 8.0046 116.4702 59.7008 32.0600 179.9037 52 R 3.8667 7.8374 117.9266 58.9481 29.9630 178.7917 53 F 3.9800 8.8780 120.6542 61.2613 39.3297 177.0176 54 A 4.5125 8.7804 121.6758 54.6548 18.1585 179.4272 55 A 3.8584 8.1636 119.3285 55.2798 18.4215 180.1015 56 K 3.4511 8.1296 117.0516 59.3704 32.2456 179.4797 57 E 3.6046 8.0050 118.5902 59.2148 29.3761 179.2270 58 A 3.8814 8.1127 120.7839 55.0720 18.3009 179.4991 59 A 3.7913 8.0014 119.8511 55.2626 18.3137 180.0807 60 S 4.1453 7.7632 112.9880 61.3191 63.0818 176.8661 61 K 3.9721 7.8702 121.7798 59.0350 31.7795 179.0978 62 A 4.2466 7.9688 122.4339 54.3681 18.0169 179.2233 63 L 4.0481 7.6052 117.8705 56.3819 42.2891 177.8805 64 G 4.0126 8.0123 106.1120 45.2716 0.0000 173.6928 65 T 4.2432 7.5928 108.3653 60.2501 70.8083 175.8101 66 G 4.0169 7.8944 110.9017 45.6183 0.0000 173.8130 67 I 3.9298 7.8319 117.6690 59.1882 35.5406 174.6001 68 A 4.1881 8.4728 126.1965 52.2664 22.6572 176.2894 69 Q 3.5756 9.8451 114.7520 57.1845 26.0545 175.6245 70 G 3.8788 8.5068 105.4585 45.1902 0.0000 174.2876 71 V 4.0645 7.7968 121.4930 62.0662 32.1913 175.0177 72 T 4.8084 8.8956 116.7427 59.1950 71.8313 174.7969 73 F 4.3100 8.7359 119.8991 61.1522 38.9469 177.4014 74 H 4.4886 7.9114 114.7438 57.7953 28.7104 175.8994 75 D 4.4409 8.3007 119.4575 55.0765 40.8464 175.4407 76 F 5.3401 7.7561 118.4629 55.8221 42.2437 174.5720 77 T 4.8107 8.9213 119.7823 61.8472 71.5690 172.9022 78 I 4.9886 9.1396 128.2635 60.1164 38.9111 175.2381 79 S 4.8750 8.8154 120.6024 57.2278 66.8318 172.1141 80 H 5.4700 8.6260 114.8410 54.3837 32.7462 173.5896 81 D 4.7632 8.7851 121.5644 51.7035 40.9668 177.4366 82 K 3.9202 8.5441 117.6217 59.4365 32.3519 177.6010 83 L 4.3028 7.9611 117.6671 54.5118 42.0164 177.2760 84 G 4.0325 8.3276 107.2336 44.3940 0.0000 173.9384 85 K 4.1821 8.1659 122.5351 55.8226 33.1434 174.1632 86 P 4.7583 0.0000 0.0000 62.7844 32.3793 175.5363 87 L 4.8751 9.1034 121.8162 52.8095 45.7331 175.0340 88 L 5.1662 8.5260 123.5844 53.3662 44.5849 175.4001 89 I 4.6498 8.6272 126.4986 59.5263 40.4603 174.6421 90 L 5.1375 8.5437 126.1426 53.7650 43.8316 175.6086 91 S 4.3758 8.4827 116.1340 57.0177 67.2427 174.3296 92 G 3.6666 8.7275 107.5668 46.5488 0.0000 175.7294 93 Q 3.9112 8.5144 118.7261 58.8310 28.9315 178.2934 94 A 3.8238 7.8802 121.3789 55.1068 18.3802 179.3179 95 A 3.8734 7.5973 118.7417 55.1122 18.3802 179.7320 96 E 3.8684 8.0154 116.8273 59.6407 29.6016 179.6133 97 L 3.9623 8.1335 118.9274 57.7267 41.6626 179.4662 98 A 3.9971 8.2763 121.0276 55.0799 18.2749 179.6070 99 S 4.0177 8.2289 111.7333 61.7715 62.2821 176.5196 100 Q 4.0601 7.8778 119.4136 58.5003 28.5123 177.8633 101 L 4.2873 7.5952 117.4135 54.3414 41.6651 176.9153 102 Q 3.6481 7.9847 117.6961 56.5851 26.5178 173.2197 103 V 4.1559 7.7540 118.4510 63.2964 31.8294 175.3322 104 E 4.7346 9.1004 125.2993 56.0757 32.6399 175.4348 105 N 5.0568 8.0727 116.5639 51.2931 42.7480 173.2261 106 I 4.8896 8.3707 123.4146 59.7608 40.1001 174.5675 107 H 5.0058 9.1809 123.4753 53.8681 32.0839 172.5647 108 L 5.2024 8.4863 123.3369 53.4585 45.4294 175.2440 109 S 4.7877 9.0781 119.0298 56.6642 66.0678 172.5747 110 I 4.9876 8.3330 125.5508 59.8300 40.2800 174.7444 111 S 4.6823 8.3824 117.8955 57.0568 65.4210 172.5506 112 D 5.0757 8.3741 123.9116 51.7175 42.4879 174.5123 113 E 4.8046 8.6730 118.1445 54.7996 32.3309 174.6105 114 R 3.9452 8.9080 117.4680 59.9277 30.0053 177.7171 115 H 4.6479 8.5246 112.1407 55.5807 30.9614 173.2295 116 Y 5.3388 7.9282 115.7905 56.0472 42.2031 174.3474 117 A 5.4678 9.1592 123.1750 49.1066 23.1621 174.8204 *119 A 4.5699 8.2295 119.0526 52.4772 20.4956 176.0023 120 T 5.1273 8.6736 115.2558 61.7847 73.1480 173.3805 121 V 4.9599 8.9023 124.3429 61.1972 35.3203 174.1709 122 I 5.0284 8.8146 127.3577 59.5328 40.7404 174.1637 123 L 5.2269 8.8631 127.0174 52.9817 44.1218 175.4234 124 E 5.0300 9.1072 120.5963 54.7031 33.4286 175.2272 125 R 4.8359 8.4663 119.4026 54.3846 33.0145 176.9721 126 R 4.4128 8.4225 117.6226 55.7875 30.3944 176.4496 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 0 A 8.16 4.77 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 *2 I 7.96 4.06 1.87 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 1.41 0.58 0.98 0.00 0.00 3 V 8.57 4.22 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 0.66 0.00 0.00 0.97 0.00 0.00 4 G 7.54 4.75 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 0.00 0.00 0.00 5 L 8.43 5.29 0.00 1.71 1.44 0.91 1.00 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 6 G 9.04 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 0.00 0.00 0.00 7 T 8.25 5.25 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 1.20 0.00 0.00 8 D 8.78 4.77 0.00 2.79 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 9 I 8.47 5.02 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.91 0.00 0.00 10 A 9.47 4.93 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 11 E 8.86 4.52 0.00 2.19 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 2.28 2.08 0.00 12 I 8.57 3.72 1.80 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 1.42 0.48 0.91 0.00 0.00 13 E 8.05 4.06 0.00 1.98 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 2.34 2.37 0.00 14 R 7.71 3.86 0.00 1.97 1.86 0.00 3.12 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 15 V 7.61 3.54 2.25 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 1.30 0.00 0.00 0.87 0.00 0.00 16 E 8.34 4.01 0.00 2.19 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 0.00 2.37 2.50 0.00 17 K 8.38 3.94 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.53 7.81 18 A 7.86 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.11 4.14 0.00 1.98 1.87 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.96 4.07 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 21 R 7.40 4.17 0.00 1.79 1.94 0.00 3.07 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 22 S 8.48 4.71 0.00 3.89 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 23 G 8.67 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 24 E 9.15 4.06 0.00 2.05 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 2.51 2.43 0.00 25 N 7.86 4.40 0.00 2.88 2.94 0.00 0.00 7.01 8.61 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 26 F 8.22 4.44 0.00 3.02 3.24 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 27 A 8.02 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.06 3.81 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 29 R 7.51 4.03 0.00 2.07 1.86 0.00 3.38 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 30 I 7.11 3.67 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 1.06 0.33 0.59 0.00 0.00 31 L 7.18 4.80 0.00 1.48 1.50 0.52 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.54 3.94 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 1.23 0.00 0.00 33 D 8.61 4.38 0.00 2.65 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 34 S 7.98 4.29 0.00 3.88 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 35 E 8.08 4.38 0.00 2.23 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 0.00 2.41 2.39 0.00 36 L 8.09 3.97 0.00 1.85 1.60 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.56 3.97 0.00 2.12 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 2.38 2.55 0.00 38 Q 8.05 4.12 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 39 F 7.92 2.82 0.00 2.74 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 40 H 8.35 4.00 0.00 3.06 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.21 4.16 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 42 S 6.95 4.14 0.00 3.54 3.47 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 43 K 8.43 4.40 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.38 7.81 44 Q 7.95 4.66 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 45 Q 7.95 3.98 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 1.55 2.14 0.00 46 G 8.15 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 0.00 0.00 0.00 47 R 8.02 4.00 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.54 4.05 0.00 3.31 3.37 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 49 L 8.77 4.19 0.00 2.18 1.89 0.66 0.96 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 50 A 8.36 4.11 1.42 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 51 K 8.00 3.95 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 R 7.84 3.87 0.00 1.97 1.96 0.00 3.24 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 53 F 8.88 3.98 0.00 3.14 3.24 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 54 A 8.78 4.51 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 55 A 8.16 3.86 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 56 K 8.13 3.45 0.00 1.89 1.81 0.00 1.87 0.00 0.00 2.18 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.74 7.81 57 E 8.00 3.60 0.00 1.97 1.85 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 1.95 1.72 0.00 58 A 8.11 3.88 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 59 A 8.00 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.76 4.15 0.00 4.05 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 61 K 7.87 3.97 0.00 1.95 1.84 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.55 7.81 62 A 7.97 4.25 1.39 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 0.00 0.00 63 L 7.61 4.05 0.00 1.82 1.92 0.95 1.65 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 64 G 8.01 4.01 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 0.00 0.00 0.00 65 T 7.59 4.24 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 1.21 0.00 0.00 66 G 7.89 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 0.00 0.00 0.00 67 I 7.83 3.93 1.66 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.27 0.73 0.00 0.00 68 A 8.47 4.19 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 69 Q 9.85 3.58 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 70 G 8.51 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 71 V 7.80 4.06 2.33 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 1.01 0.00 0.00 0.90 0.00 0.00 72 T 8.90 4.81 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 1.18 0.00 0.00 73 F 8.74 4.31 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 7.91 4.49 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.30 4.44 0.00 1.98 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 0.00 0.00 0.00 76 F 7.76 5.34 0.00 2.86 2.89 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 77 T 8.92 4.81 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 1.24 0.00 0.00 78 I 9.14 4.99 1.84 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 1.23 0.39 0.79 0.00 0.00 79 S 8.82 4.88 0.00 3.86 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 80 H 8.63 5.47 0.00 2.98 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.79 4.76 0.00 2.92 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 82 K 8.54 3.92 0.00 1.89 2.01 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.48 7.81 83 L 7.96 4.30 0.00 1.68 1.75 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.33 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 85 K 8.17 4.18 0.00 1.87 2.01 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.46 7.81 86 P 0.00 4.76 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 87 L 9.10 4.88 0.00 1.50 1.53 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.53 5.17 0.00 1.59 1.52 1.06 0.99 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 89 I 8.63 4.65 1.88 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 1.23 0.86 0.90 0.00 0.00 90 L 8.54 5.14 0.00 1.47 1.45 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.48 4.38 0.00 3.75 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 92 G 8.73 3.67 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 0.00 0.00 0.00 93 Q 8.51 3.91 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 94 A 7.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.60 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.87 0.00 2.19 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 2.30 2.43 0.00 97 L 8.13 3.96 0.00 1.79 1.70 0.91 1.26 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 98 A 8.28 4.00 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 0.00 0.00 0.00 0.00 0.00 99 S 8.23 4.02 0.00 4.04 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 0.00 100 Q 7.88 4.06 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 101 L 7.60 4.29 0.00 1.77 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.98 3.65 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 103 V 7.75 4.16 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 0.76 0.00 0.00 0.94 0.00 0.00 104 E 9.10 4.73 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 105 N 8.07 5.06 0.00 2.77 2.62 0.00 0.00 6.94 7.33 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 0.00 106 I 8.37 4.89 1.84 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 1.35 0.60 0.91 0.00 0.00 107 H 9.18 5.01 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.49 5.20 0.00 1.55 1.45 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.08 4.79 0.00 3.89 3.61 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 0.00 110 I 8.33 4.99 1.87 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 1.21 0.77 0.90 0.00 0.00 111 S 8.38 4.68 0.00 3.81 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 0.00 112 D 8.37 5.08 0.00 2.93 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 0.00 113 E 8.67 4.80 0.00 2.04 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 0.00 2.28 2.36 0.00 114 R 8.91 3.95 0.00 1.71 1.85 0.00 2.80 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.56 0.00 115 H 8.52 4.65 0.00 3.03 2.57 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.93 5.34 0.00 2.92 2.82 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 0.00 117 A 9.16 5.47 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 *119 A 8.23 4.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 5.13 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 1.26 0.00 0.00 121 V 8.90 4.96 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 1.00 0.00 0.00 0.89 0.00 0.00 122 I 8.81 5.03 1.90 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 1.22 0.57 0.97 0.00 0.00 123 L 8.86 5.23 0.00 1.59 1.57 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.11 5.03 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 2.38 2.28 0.00 125 R 8.47 4.84 0.00 1.79 1.88 0.00 3.63 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 126 R 8.42 4.41 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.