NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2646 8.1593 117.3740 63.5804 69.7852 173.9381 2 S 4.4877 8.3040 121.4002 55.6416 66.6909 173.3918 3 K 3.9931 9.1825 123.0903 59.7026 32.3315 179.4445 4 K 3.8256 8.1355 118.1469 59.7948 31.7919 178.8186 5 K 3.9319 7.5858 118.0300 59.2815 32.1142 178.0169 6 R 4.2840 7.7679 115.6829 56.8534 30.5964 178.0287 7 Q 4.0909 8.0202 119.4933 57.4883 28.4427 176.4433 8 R 4.0667 7.5745 118.6280 58.5606 30.2110 176.4488 9 G 4.0876 9.0536 111.2663 45.4374 0.0000 174.1126 10 S 4.1969 8.1555 113.4560 58.4007 63.5537 174.3488 11 R 4.1352 7.9541 124.9528 57.4097 29.2383 176.6134 12 T 4.2950 7.6210 104.8877 61.2913 69.7797 174.0430 13 H 4.7845 8.5675 118.3374 56.0772 26.8699 175.3430 14 G 3.9013 8.3394 102.4882 46.4043 0.0000 174.9154 15 G 3.8811 8.2289 107.3928 45.1099 0.0000 175.7929 16 G 4.0139 7.6944 107.4112 45.0459 0.0000 175.6008 17 S 4.2263 8.5749 119.4760 58.0497 62.6118 174.3235 18 H 4.3386 8.8378 122.0864 57.4082 28.3351 175.8494 19 K 4.0784 7.7995 119.2178 56.9133 31.4050 177.3246 20 N 4.3966 7.4342 117.2218 55.2195 39.5066 176.7472 21 R 4.4132 7.4480 120.3267 56.8027 29.3145 176.9069 22 R 4.3950 7.7210 120.9045 56.2018 30.4834 180.1081 23 G 4.1433 8.6872 122.7758 45.4416 0.0000 173.6901 24 A 4.2667 8.5903 120.2433 54.1061 18.3283 180.0510 25 G 3.5773 8.0347 104.6103 48.0057 0.0000 175.3128 26 H 4.3314 7.9435 119.5430 58.6162 29.9306 176.7660 27 R 4.2795 7.8836 117.5618 55.6656 30.5715 176.2095 28 G 3.7172 7.8099 106.8064 46.7531 0.0000 174.3569 29 G 4.0368 8.0211 105.1369 44.3948 0.0000 174.3137 30 R 4.0764 8.5619 120.4339 56.7060 31.7529 176.1218 31 G 3.7552 8.2999 113.2699 47.4550 0.0000 173.9318 32 D 4.6387 8.6936 124.2852 54.0812 40.6362 175.6072 33 A 3.8958 7.4708 122.3238 53.8489 18.8246 178.3509 34 G 3.8184 8.9550 107.5021 46.2081 0.0000 175.4734 35 R 3.9971 7.6089 114.6317 57.2693 29.0447 177.2701 36 D 5.0622 7.7818 114.8110 52.8785 42.3690 174.9428 37 K 4.4577 8.8754 117.0768 57.5305 32.6572 177.0294 38 H 4.5641 9.6712 124.5351 58.1633 30.2092 176.3537 39 E 4.6684 7.5747 120.5538 55.6344 30.2692 178.0085 40 F 4.3676 8.1434 115.2402 59.1366 38.4849 175.5589 41 H 3.5383 5.6499 115.7960 57.3986 29.0500 174.7690 42 N 4.2040 8.8863 121.0200 54.6561 35.6008 174.6925 43 H 4.7387 7.9602 113.0281 53.6908 32.4620 173.9349 44 E 3.9896 9.0234 124.3758 55.8721 29.8091 175.3623 45 P 4.3698 0.0000 0.0000 62.8978 31.6539 176.0490 46 L 4.1439 8.0694 119.2496 55.0620 42.2868 175.7965 47 G 4.2575 8.1466 105.7078 43.3951 0.0000 173.4147 48 K 4.4494 8.1549 120.7144 54.8894 33.5552 176.6439 49 S 4.3701 8.0596 116.2927 57.3320 64.8781 175.0680 50 G 4.0744 8.9070 118.6543 44.9147 0.0000 170.6278 51 F 5.0810 8.9363 112.8542 55.2609 41.1411 173.3892 52 K 4.2424 8.1405 117.8581 54.6615 35.6872 176.1265 53 R 4.4341 7.8881 120.3582 53.4981 31.8764 174.7765 54 P 4.1809 0.0000 0.0000 63.5056 31.6979 176.5420 55 Q 3.8753 9.0725 122.7445 59.1459 28.6680 179.5594 56 K 4.3163 8.0388 111.2870 57.8275 32.2173 177.0345 57 V 4.3264 8.0437 117.7935 62.7771 31.8720 174.7167 58 Q 4.6613 8.0542 117.0163 54.0466 30.5833 174.7294 59 E 4.6066 8.5449 121.0742 54.6028 31.6422 175.1873 60 E 4.4166 8.3365 123.8735 54.2559 31.4355 174.0988 61 A 4.1032 8.1095 129.1748 50.9616 19.7548 176.2626 62 A 4.2962 9.0235 126.1611 51.6380 19.6475 176.6905 63 T 5.4305 8.1111 112.1684 59.5641 72.1611 173.2968 64 I 4.3578 7.8042 119.1875 60.2884 41.4716 172.5894 65 D 5.1335 8.5283 128.1812 53.2985 42.3537 177.7431 66 V 3.5786 8.5979 116.3595 64.8650 31.6121 178.7303 67 R 3.8609 7.8020 118.0271 59.6975 29.5278 178.0874 68 E 3.8955 8.0957 117.7445 59.5502 30.0032 178.3107 69 I 3.7198 7.7823 119.3063 64.4187 37.2073 177.2854 70 D 4.4020 8.5011 118.6220 57.9327 40.9004 178.7354 71 E 4.3102 8.1300 116.5572 58.0924 29.6093 177.1399 72 N 5.0417 8.2799 116.9532 52.8734 40.0304 177.1021 73 V 3.3054 7.8622 114.4312 64.5121 31.7921 178.0190 74 T 3.9208 7.5319 108.7064 64.4509 68.9121 175.8466 75 L 4.0356 7.7235 120.6219 56.8463 42.6819 177.3479 76 L 4.3674 7.4624 121.0975 53.6594 40.8122 178.0236 77 A 4.0963 7.7671 121.9487 55.0854 19.0500 178.0047 78 A 4.4410 7.7151 118.0628 52.0846 18.8427 177.3883 79 D 4.5486 8.1080 119.4043 56.1649 45.4621 176.0974 80 D 4.1258 7.4923 121.9435 49.5305 41.2734 175.5230 81 V 4.2121 8.4526 122.1244 61.3089 32.6560 174.7469 82 A 4.4665 8.0895 131.9786 50.5438 20.8512 176.7567 83 E 3.6652 8.7642 113.2667 59.3028 29.6281 176.4218 *89 F 4.5515 7.6934 117.5069 57.5677 41.2486 173.4047 90 R 5.2015 8.6933 119.1657 55.2045 32.6987 174.7655 91 V 4.5016 8.9694 125.6690 60.0091 35.4430 174.4081 92 D 4.9895 8.7370 123.6105 53.1477 40.6398 176.5894 93 V 3.5767 8.5684 127.2040 66.1980 31.7223 178.4452 94 R 4.2614 7.5666 116.6085 59.7040 29.8985 177.2922 95 D 4.5827 8.1306 114.3554 55.1810 41.2752 176.8961 96 V 4.0257 8.9351 118.9524 64.1798 32.6670 176.4807 97 V 3.6002 7.6115 118.9581 62.8484 31.5491 175.4472 98 E 4.1893 8.5954 126.6522 56.7110 30.1204 175.5435 99 E 3.7139 8.5822 116.0384 58.1052 26.8705 175.2818 100 A 4.6352 8.1108 117.3263 52.2360 19.8331 177.8918 101 D 4.5796 7.9812 118.5091 57.4895 41.6182 178.0669 102 D 4.7561 7.9714 115.3147 53.3199 39.4156 175.3434 103 A 4.5478 7.4536 123.3531 50.8250 20.3328 178.7817 104 D 4.1327 8.5324 122.2329 55.8997 41.7335 175.7289 105 Y 4.7405 6.2845 117.9747 57.0753 41.5462 171.8879 106 V 4.8488 8.8140 120.8739 61.2101 33.9526 174.3706 107 K 4.7315 9.3164 128.6364 54.5935 35.7021 174.5968 108 V 4.5501 8.6702 127.6416 61.6585 33.1508 174.7642 109 L 4.6510 9.5576 129.1051 53.0735 44.1101 176.5745 110 G 4.5867 8.3271 109.3894 44.8605 0.0000 172.3632 111 A 4.6919 8.0353 123.7857 51.6416 21.8307 176.8165 112 G 3.9883 8.9069 108.9821 44.5736 0.0000 172.2319 113 Q 4.4037 8.0996 117.6426 54.4578 30.5478 175.8024 114 V 4.4377 7.7919 116.7582 60.7774 32.4862 174.9646 115 R 4.6174 9.1835 130.2156 55.5290 30.5564 176.2893 116 H 4.7621 7.8088 112.3237 54.8676 32.7116 173.8407 117 E 4.6647 8.7274 120.0996 55.6081 29.6810 175.0041 118 L 4.9403 8.3880 125.5660 53.7104 44.7060 175.9581 119 T 5.3825 8.8535 120.2973 61.0790 69.6979 172.4699 120 L 5.0743 8.2204 125.6984 53.5108 44.4782 175.6104 121 I 5.8108 9.0571 122.6763 58.8215 40.3746 174.4083 122 A 4.9814 8.6729 127.5431 50.2361 22.4581 175.8993 123 D 4.4413 8.5024 117.9253 57.1004 41.9743 176.4753 124 D 4.5612 7.1575 115.0904 53.4494 44.4527 174.1893 125 F 5.6234 9.1556 121.4871 54.8157 43.6980 173.8579 126 S 4.7400 8.5430 114.3080 56.9112 65.5231 174.8698 127 E 4.0328 8.9827 120.6956 59.6389 29.3359 179.1968 128 G 3.6348 8.1244 104.9174 47.5816 0.0000 175.4516 129 A 4.1113 7.8936 122.8092 55.3115 18.3219 179.5619 130 R 3.7655 8.1806 116.7597 58.8993 30.0489 178.7137 131 E 3.9135 8.2480 117.9730 59.7600 29.4638 179.8971 132 K 3.9019 7.6842 116.3485 59.5531 32.6075 179.1762 133 V 3.7571 7.6752 118.0606 66.1231 31.4953 177.7662 134 E 4.7332 7.8525 119.6698 59.0971 29.2388 179.5786 135 G 4.1476 8.1185 104.1700 46.8867 0.0000 173.9792 136 A 4.7702 7.5829 121.9086 51.2173 21.6917 176.5661 137 G 3.7815 8.6119 105.9904 48.1611 0.0000 172.8107 138 G 4.4697 7.2420 105.1788 44.5393 0.0000 171.3428 139 S 5.0780 8.8838 113.2038 56.3064 66.6061 173.2150 140 V 4.4650 8.2793 121.8505 61.1381 33.4170 174.1955 141 E 4.6334 9.2986 128.1188 54.4053 31.8652 174.8963 142 L 5.0110 8.5220 127.3677 54.6528 43.1838 176.5640 143 T 4.1896 8.6858 123.1452 63.4131 69.7396 175.2968 144 D 4.4400 8.7672 121.6156 57.6435 40.5096 178.7909 145 L 4.0306 7.9165 119.5759 58.0001 42.0459 178.7615 146 G 3.7914 7.7880 105.1563 45.8823 0.0000 173.6848 147 E 4.7416 8.1385 121.9938 56.9075 28.8618 177.0435 148 E 4.4521 7.8071 115.9746 56.1789 31.0389 177.6253 149 R 4.1221 7.3504 118.4195 56.5059 28.6876 176.4231 150 Q 4.3404 8.3172 122.6774 56.7435 29.4727 173.1786 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 T 8.16 4.26 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 2 S 8.30 4.49 0.00 4.09 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 3 K 9.18 3.99 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.14 3.83 0.00 1.84 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.54 7.81 5 K 7.59 3.93 0.00 1.68 2.03 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.77 4.28 0.00 1.93 1.93 0.00 3.21 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 7 Q 8.02 4.09 0.00 2.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 8 R 7.57 4.07 0.00 1.79 1.92 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 G 9.05 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 10 S 8.16 4.20 0.00 3.95 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 11 R 7.95 4.14 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.62 4.30 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 1.33 0.00 0.00 13 H 8.57 4.78 0.00 3.27 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.34 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 15 G 8.23 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 16 G 7.69 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 17 S 8.57 4.23 0.00 3.87 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 18 H 8.84 4.34 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.80 4.08 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.31 7.81 20 N 7.43 4.40 0.00 2.74 2.54 0.00 0.00 6.93 8.52 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 21 R 7.45 4.41 0.00 1.78 1.91 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 22 R 7.72 4.39 0.00 1.74 1.12 0.00 3.28 0.00 0.00 3.19 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 23 G 8.69 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.59 4.27 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 25 G 8.03 3.58 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 0.00 0.00 0.00 26 H 7.94 4.33 0.00 3.03 3.51 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.88 4.28 0.00 2.01 1.96 0.00 3.31 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 28 G 7.81 3.72 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 0.00 29 G 8.02 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 30 R 8.56 4.08 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.30 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 0.00 0.00 0.00 32 D 8.69 4.64 0.00 2.74 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 33 A 7.47 3.90 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 34 G 8.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.61 4.00 0.00 1.73 2.20 0.00 2.77 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 36 D 7.78 5.06 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 37 K 8.88 4.46 0.00 1.77 1.68 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.52 7.81 38 H 9.67 4.56 0.00 3.30 3.45 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.57 4.67 0.00 1.85 1.86 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 2.23 2.03 0.00 40 F 8.14 4.37 0.00 3.05 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 41 H 5.65 3.54 0.00 2.97 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.89 4.20 0.00 2.85 2.86 0.00 0.00 6.85 8.16 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 43 H 7.96 4.74 0.00 3.31 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.02 3.99 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 45 P 0.00 4.37 0.00 2.18 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 46 L 8.07 4.14 0.00 1.66 1.65 0.92 0.94 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 47 G 8.15 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 0.00 0.00 0.00 0.00 48 K 8.15 4.45 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 49 S 8.06 4.37 0.00 3.78 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 50 G 8.91 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 0.00 0.00 0.00 51 F 8.94 5.08 0.00 3.13 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 52 K 8.14 4.24 0.00 1.62 1.56 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.37 7.81 53 R 7.89 4.43 0.00 1.66 1.78 0.00 3.21 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 54 P 0.00 4.18 0.00 2.20 2.22 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 55 Q 9.07 3.88 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 56 K 8.04 4.32 0.00 1.85 1.91 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.42 7.81 57 V 8.04 4.33 2.19 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 0.83 0.00 0.00 0.96 0.00 0.00 58 Q 8.05 4.66 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.39 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 59 E 8.54 4.61 0.00 1.94 1.79 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 2.64 2.29 0.00 60 E 8.34 4.42 0.00 1.93 1.72 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 2.15 2.18 0.00 61 A 8.11 4.10 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 62 A 9.02 4.30 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 63 T 8.11 5.43 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 1.22 0.00 0.00 64 I 7.80 4.36 1.85 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 1.34 1.17 0.93 0.00 0.00 65 D 8.53 5.13 0.00 2.64 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 66 V 8.60 3.58 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 67 R 7.80 3.86 0.00 1.95 2.00 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 68 E 8.10 3.90 0.00 1.99 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 2.31 2.33 0.00 69 I 7.78 3.72 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.38 0.90 0.00 0.00 70 D 8.50 4.40 0.00 2.94 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 71 E 8.13 4.31 0.00 1.98 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 2.35 2.66 0.00 72 N 8.28 5.04 0.00 2.59 2.68 0.00 0.00 6.84 7.58 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 73 V 7.86 3.31 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 0.00 0.00 0.51 0.00 0.00 0.37 0.00 0.00 74 T 7.53 3.92 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 1.18 0.00 0.00 75 L 7.72 4.04 0.00 1.71 1.74 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.46 4.37 0.00 1.80 1.67 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.77 4.10 1.29 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 78 A 7.72 4.44 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 79 D 8.11 4.55 0.00 2.77 2.57 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 80 D 7.49 4.13 0.00 3.01 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 81 V 8.45 4.21 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 0.58 0.00 0.00 1.16 0.00 0.00 82 A 8.09 4.47 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 83 E 8.76 3.67 0.00 2.04 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 0.00 2.26 2.33 0.00 *89 F 7.69 4.55 0.00 3.06 3.30 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 0.00 90 R 8.69 5.20 0.00 1.84 1.81 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 91 V 8.97 4.50 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 0.74 0.00 0.00 0.94 0.00 0.00 92 D 8.74 4.99 0.00 2.78 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 93 V 8.57 3.58 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 0.85 0.00 0.00 0.92 0.00 0.00 94 R 7.57 4.26 0.00 2.08 2.03 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 95 D 8.13 4.58 0.00 2.77 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 96 V 8.94 4.03 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 0.73 0.00 0.00 0.92 0.00 0.00 97 V 7.61 3.60 2.06 0.00 0.00 0.00 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 0.96 0.00 0.00 98 E 8.60 4.19 0.00 1.98 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 2.30 2.31 0.00 99 E 8.58 3.71 0.00 2.07 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 2.19 2.26 0.00 100 A 8.11 4.64 1.29 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 0.00 101 D 7.98 4.58 0.00 2.70 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 0.00 102 D 7.97 4.76 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.45 4.55 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 0.00 104 D 8.53 4.13 0.00 2.61 2.51 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 0.00 105 Y 6.28 4.74 0.00 3.09 3.07 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 0.00 106 V 8.81 4.85 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 0.87 0.00 0.00 0.93 0.00 0.00 107 K 9.32 4.73 0.00 2.00 1.65 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.45 7.81 108 V 8.67 4.55 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 1.02 0.00 0.00 0.61 0.00 0.00 109 L 9.56 4.65 0.00 1.79 1.58 0.92 0.67 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 0.00 110 G 8.33 4.59 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 0.00 0.00 0.00 111 A 8.04 4.69 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 0.00 112 G 8.91 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 0.00 113 Q 8.10 4.40 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 114 V 7.79 4.44 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 1.16 0.00 0.00 0.96 0.00 0.00 115 R 9.18 4.62 0.00 1.70 1.82 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 116 H 7.81 4.76 0.00 3.22 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.73 4.66 0.00 1.97 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 0.00 2.25 2.36 0.00 118 L 8.39 4.94 0.00 1.69 1.68 1.04 0.76 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 0.00 119 T 8.85 5.38 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 1.23 0.00 0.00 120 L 8.22 5.07 0.00 1.89 1.82 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 I 9.06 5.81 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 1.02 0.00 0.00 122 A 8.67 4.98 0.58 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 0.00 0.00 123 D 8.50 4.44 0.00 2.75 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 0.00 124 D 7.16 4.56 0.00 2.51 2.32 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 0.00 125 F 9.16 5.62 0.00 2.84 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 0.00 126 S 8.54 4.74 0.00 3.93 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 0.00 127 E 8.98 4.03 0.00 2.07 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 2.53 2.40 0.00 128 G 8.12 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.89 4.11 1.53 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 0.00 0.00 130 R 8.18 3.77 0.00 2.05 1.89 0.00 3.31 0.00 0.00 3.12 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 131 E 8.25 3.91 0.00 2.04 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 2.34 2.56 0.00 132 K 7.68 3.90 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 133 V 7.68 3.76 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 1.05 0.00 0.00 1.06 0.00 0.00 134 E 7.85 4.73 0.00 2.02 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 2.40 2.30 0.00 135 G 8.12 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 0.00 0.00 0.00 0.00 136 A 7.58 4.77 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 0.00 137 G 8.61 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 0.00 138 G 7.24 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 0.00 0.00 0.00 0.00 139 S 8.88 5.08 0.00 3.83 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 0.00 140 V 8.28 4.47 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 -0.48 0.00 0.00 0.37 0.00 0.00 141 E 9.30 4.63 0.00 2.04 1.86 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 2.21 2.20 0.00 142 L 8.52 5.01 0.00 1.70 1.61 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.69 4.19 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 0.00 144 D 8.77 4.44 0.00 2.69 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 0.00 145 L 7.92 4.03 0.00 1.64 1.84 0.96 0.97 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 0.00 146 G 7.79 3.79 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 0.00 147 E 8.14 4.74 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 148 E 7.81 4.45 0.00 1.85 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 2.18 2.56 0.00 149 R 7.35 4.12 0.00 1.62 1.91 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 150 Q 8.32 4.34 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.