NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3708 8.3033 120.2310 55.9039 31.1670 176.2888 6 E 3.8056 8.9410 123.1832 59.3232 29.3685 178.1682 7 R 3.9298 8.1880 117.8609 59.3077 30.5788 178.2518 8 L 4.0570 7.9481 119.5712 58.1575 42.1775 179.0428 9 K 4.0117 8.5028 119.1578 60.1344 32.3688 178.5066 10 H 4.0911 8.6206 119.7943 59.1659 29.5562 176.4773 11 Y 4.1743 7.8514 119.7802 60.9916 38.8764 177.9360 12 L 3.8927 8.3129 120.0548 57.6023 41.3546 179.2119 13 E 4.0694 8.7426 118.5837 58.5593 29.2278 178.7717 14 K 4.1068 7.4538 117.2977 57.9767 32.2621 178.1214 15 Q 4.3375 7.3907 117.1124 55.3344 29.0059 175.6197 16 I 3.9798 6.8520 121.9072 59.8480 37.1712 174.3052 17 P 4.4679 0.0000 0.0000 61.4296 32.0927 176.2419 18 A 4.0980 8.2299 122.9234 52.4830 18.8156 177.9500 19 R 4.3678 8.2999 120.6828 54.7235 31.6975 176.4116 20 D 4.3329 8.4467 116.9654 54.8653 42.6680 177.4626 21 Q 4.0025 8.9981 125.1425 59.6961 28.6163 179.0524 22 Y 3.9614 8.7800 120.6193 60.6438 38.5986 177.9931 23 I 3.9515 7.7173 119.5702 64.4178 37.7445 177.7863 24 E 4.4571 8.3919 120.9231 58.5147 29.2205 179.4330 25 Q 4.3282 7.9787 120.0250 56.0691 28.6508 177.8688 *27 E 3.9926 8.2112 119.3005 56.0283 31.7888 178.7254 28 R 3.8933 7.7859 117.2530 59.0525 29.9784 178.5889 29 E 4.0788 8.7005 120.6494 58.6761 29.6020 178.7851 30 A 3.9497 7.8249 120.2277 55.2770 18.5694 178.9727 31 H 3.9368 8.0522 116.3153 59.4616 29.6846 177.2030 32 E 4.0180 8.4517 120.7109 59.2820 29.0708 178.5587 33 Q 4.4994 8.1905 115.0287 54.4304 29.4699 175.5775 34 Q 3.1999 7.5051 117.2389 56.8336 26.9161 174.6943 35 V 4.1008 8.0680 117.5532 60.3897 31.9727 173.5502 36 P 4.4786 0.0000 0.0000 63.0145 33.1736 173.4065 37 I 4.6075 7.7859 114.3944 60.8957 37.0719 178.0061 *39 D 4.4364 8.9755 112.7136 52.5382 40.2903 175.2705 40 L 4.1444 8.6057 120.6214 58.1093 42.1757 178.8207 41 L 4.0711 8.2006 120.0194 58.1434 42.3482 179.7056 42 G 3.8740 8.7518 104.9180 46.4830 0.0000 174.7963 *44 E 4.2321 8.2997 121.1456 56.2601 31.6911 178.4771 45 S 4.1164 8.2910 114.7472 61.5157 62.8667 176.4478 46 L 3.9533 8.0944 123.0133 58.3382 41.7792 179.0671 47 L 3.9738 7.8486 118.3338 57.9294 41.3349 178.8672 48 H 4.1247 8.0994 117.5444 59.1916 29.8920 176.9698 49 L 4.0740 7.8659 119.8341 57.7717 41.8243 179.2551 50 L 4.1916 8.0423 118.8828 57.4549 41.3576 180.8129 51 K 4.0095 7.8790 116.8623 56.4275 32.2850 177.9420 *53 A 4.1149 8.0828 123.1265 50.5002 20.9069 177.2423 54 A 3.7450 7.5502 117.7408 52.6082 16.3706 175.3992 55 P 4.5232 0.0000 0.0000 62.3646 33.2250 176.6313 56 A 4.4558 9.1187 121.8689 53.4676 20.7739 177.5648 57 R 5.1968 8.1982 113.7787 54.6326 34.3639 174.6932 58 I 5.1702 9.1159 124.2452 59.3615 41.1433 174.0323 59 L 4.6782 8.6602 128.6544 52.9545 44.2830 174.4590 60 E 5.0981 9.1069 127.2505 54.4060 32.7381 174.3041 61 I 4.0371 8.7198 128.0248 61.1977 38.5206 176.5562 62 G 4.0286 9.0570 117.2879 46.4054 0.0000 172.6960 63 T 4.0867 8.1280 119.8378 65.4663 70.2850 176.3481 64 A 3.5816 7.8853 123.0011 53.7211 18.2147 177.4086 65 I 4.2109 8.5745 112.9570 63.1821 37.6478 176.9904 66 G 4.0715 8.5649 109.3700 46.3063 0.0000 175.0904 67 Y 4.0332 8.1445 120.9410 60.9759 38.5370 178.3630 68 S 3.8826 8.0638 113.7009 61.3530 63.0489 176.0787 69 A 4.0496 7.7657 122.0122 55.1100 18.4670 179.3519 70 I 3.8002 7.8669 118.4155 64.4633 37.1826 179.4342 71 R 3.8074 7.6099 115.8707 57.1381 29.8650 178.2451 *73 A 4.2702 7.9530 124.0951 52.3871 20.4627 179.9935 74 Q 3.8605 8.1503 113.7370 58.7590 28.9121 177.6907 75 A 4.1720 7.9036 119.9754 53.9662 19.0138 177.5219 76 L 4.7425 7.2417 115.8471 51.8301 41.7934 175.3202 77 P 4.4252 0.0000 0.0000 64.7360 31.7536 177.9744 78 E 4.4249 8.0906 116.3780 55.9894 29.8637 175.2595 79 A 4.8971 7.6829 121.4467 51.1596 20.5505 177.2212 80 T 4.8164 9.0024 109.9635 59.9487 72.0483 173.0498 81 I 4.9419 9.0827 124.8990 59.5882 40.4282 174.5052 82 V 4.8532 8.9942 126.7707 61.1718 34.0221 174.1520 83 S 5.0965 9.2833 122.6163 56.5319 65.7944 172.2875 84 I 4.8757 8.4620 127.6612 59.6087 39.5239 174.2291 85 E 4.5581 9.2001 127.9440 54.3409 32.0914 175.2874 86 R 3.6839 9.2417 123.0844 59.5213 29.9787 175.7228 87 D 4.9470 8.9945 116.9955 51.9547 43.8408 177.3410 88 E 3.9527 8.9242 126.6004 59.4235 29.8750 179.1223 89 R 3.9421 8.7607 119.1666 59.5486 30.1001 178.8019 90 R 4.1994 8.2898 118.6973 58.7879 30.1318 178.0746 91 Y 4.1113 8.8535 120.3096 60.6908 38.8896 177.7527 92 E 3.6119 10.0911 119.7239 59.2686 29.8393 178.2572 93 E 3.7623 8.0935 118.2232 59.5703 29.5095 179.1615 94 A 4.4969 8.0677 121.9490 54.8511 18.3409 178.9720 95 H 3.8964 7.9758 116.6901 59.4644 29.8054 177.5788 96 K 3.8697 7.7689 119.8430 59.7115 31.5522 179.1127 97 H 4.5567 8.2533 117.9410 58.2908 28.6196 177.9153 98 V 3.5989 8.0216 120.1959 66.1384 31.4095 178.2016 99 K 3.8411 8.1711 118.0249 59.3898 31.6038 179.0850 100 A 3.8813 8.1301 120.5736 54.5551 18.2611 178.6785 101 L 4.2738 7.1817 114.2053 53.6376 41.9982 176.8571 102 G 3.8604 7.6989 106.6884 46.5901 0.0000 174.5965 103 L 4.5517 7.8708 117.1873 54.0366 42.0837 178.3349 104 E 3.9823 8.3273 121.2784 59.6771 29.3919 179.6018 105 S 4.2268 8.0301 110.8713 60.2843 63.5584 174.5603 106 R 4.5801 7.8498 118.1211 55.8135 32.2921 175.2941 107 I 4.8728 7.9613 119.8263 59.4236 39.9554 174.6988 108 E 4.5258 9.5320 130.0155 54.7783 30.9332 174.6047 109 L 5.0852 8.6563 127.7802 53.7243 43.1006 175.9977 110 L 4.7891 9.2581 124.7092 52.8713 44.2243 175.2050 111 F 4.9429 8.7221 125.7533 56.7723 40.7321 173.6413 112 G 4.1000 8.1481 112.9660 46.4693 0.0000 172.5247 113 D 4.3980 7.6826 125.5685 52.5548 39.9178 176.0646 114 A 4.3546 8.7094 131.2623 55.1292 18.5117 179.5029 115 L 4.2451 8.4994 115.0774 57.1209 41.7754 177.9006 116 Q 4.6710 8.4760 116.8725 55.6220 29.3302 176.5552 117 L 4.7531 7.6609 116.3071 54.6885 42.8498 178.2845 118 G 3.6426 8.0081 106.3298 47.4322 0.0000 175.7542 119 E 4.7207 8.0003 121.2528 58.6754 29.8443 178.7186 120 K 4.1347 7.9935 119.1464 59.7627 32.4261 178.8114 121 L 3.6357 8.1244 119.2770 57.2506 41.5672 178.9181 122 E 4.2309 8.2648 116.6124 58.1273 29.4590 178.0524 123 L 4.4536 7.8600 118.8578 54.9620 42.3315 176.4550 124 Y 4.2860 7.5677 117.0159 56.6898 38.5945 173.7564 125 P 4.4312 0.0000 0.0000 61.9588 32.1175 176.6697 126 L 4.1057 8.1245 119.8422 55.3164 42.2929 176.9054 127 F 4.7238 8.4969 119.5455 56.6499 40.6580 176.7229 128 D 4.5251 9.0782 122.0062 56.8393 42.0895 176.7427 129 V 4.9506 7.8612 117.2413 61.0369 35.4827 173.5793 130 L 5.0377 9.2246 129.6704 53.1527 44.7953 174.4555 131 F 5.1605 9.2600 128.8857 56.4982 41.7674 174.0005 132 I 4.6992 8.0179 126.4776 59.4242 41.4411 174.1487 133 D 4.9599 8.5598 125.5527 52.3730 41.7651 176.5595 134 A 4.0219 8.7431 130.8512 54.8024 18.4782 179.0240 135 A 4.0865 8.2192 117.7131 54.1969 18.6346 178.4740 136 K 4.1391 8.0650 113.8931 56.6724 31.2627 178.0212 137 G 4.0329 7.7736 105.1121 45.8124 0.0000 173.2016 138 Q 3.5974 8.6543 113.1476 56.7699 26.5860 175.8616 139 Y 4.4138 7.7330 119.9936 61.1814 38.7766 177.7721 140 R 3.6447 8.1085 118.9489 59.1961 29.9794 178.1591 141 R 3.6850 7.6238 116.9275 59.5153 30.1693 178.0920 142 F 4.6880 7.7154 116.3038 60.3783 39.1432 177.0445 143 F 4.1668 8.3835 120.4600 61.4679 38.8774 177.2693 144 D 4.6237 7.7806 112.4864 55.9337 40.3501 176.9107 *146 Y 4.7665 7.7999 118.7678 57.8431 39.9097 176.5274 147 S 4.0324 8.0247 114.2797 60.7780 63.1515 174.7613 148 P 4.4601 0.0000 0.0000 61.7285 29.7968 176.2877 *150 V 4.3405 7.4743 116.7438 62.5557 32.7849 175.7490 151 R 4.3754 8.8473 124.1330 55.1730 30.8296 174.1167 152 P 4.4138 0.0000 0.0000 64.5133 31.4138 176.7842 153 G 3.9214 9.1929 111.6503 45.2768 0.0000 173.6823 154 G 4.0841 8.0791 107.5874 45.7170 0.0000 172.3595 155 L 5.5176 8.9438 119.0535 52.8577 45.2850 176.1439 156 I 4.9121 9.0401 123.9017 59.6135 39.9434 174.4654 157 L 4.9733 9.0633 128.2758 53.4641 43.5032 175.9003 158 S 4.9212 8.7497 121.5954 56.5813 64.8043 173.3463 159 D 4.5096 8.6648 126.2606 54.3990 42.7515 176.0368 160 N 4.4917 8.7692 120.2119 54.4088 36.6056 177.2029 161 V 3.3044 7.9680 113.7732 63.3696 31.6816 177.0325 162 L 4.5199 7.5643 116.7530 55.2559 40.9364 176.6879 163 F 4.0859 7.9515 119.7518 60.1257 39.2627 175.4734 *189 Q 4.3004 7.9642 118.9933 56.0871 30.5038 177.3628 190 W 4.1568 7.9724 113.9978 59.1151 28.4533 176.9968 191 L 3.3612 6.2128 120.8160 57.5905 41.7131 178.6339 192 L 4.0941 7.5408 118.3249 57.1894 41.7147 177.7631 193 E 4.4469 8.0611 116.6197 55.6636 30.0285 174.9628 194 H 4.2798 8.6313 119.5414 56.3411 30.1301 174.3167 195 P 4.3344 0.0000 0.0000 65.6015 31.5382 176.8316 196 Q 4.2999 8.3843 117.1926 56.6929 29.9917 174.6803 197 Y 5.1806 8.1302 115.3651 56.9739 41.7072 174.6281 198 D 4.8149 9.3465 124.2816 53.4994 42.3544 174.9391 199 T 5.2962 8.5354 122.5804 61.7933 71.3906 173.8776 200 R 4.7176 8.9133 124.9819 54.7260 34.0950 173.6219 201 I 4.8178 8.3687 125.8576 60.4647 38.6496 175.0164 202 F 4.6612 9.4435 125.6448 54.6322 41.9444 173.9300 203 P 5.2078 0.0000 0.0000 61.9403 29.0643 174.9758 204 V 4.4555 7.7836 124.5380 62.9324 35.3070 175.2704 205 G 3.9487 8.3037 115.3279 47.4077 0.0000 173.3926 206 D 4.6537 8.7034 124.1844 53.7597 41.0349 175.7489 207 G 4.1110 8.4733 110.7959 44.8648 0.0000 172.9506 208 I 4.9849 8.7645 124.8489 58.9792 41.1100 174.1078 209 A 4.7351 8.9622 131.8551 51.6894 20.0762 176.0748 210 I 4.6191 9.4310 124.4326 59.9162 39.4538 174.8941 211 S 5.3311 9.1770 124.7230 56.8526 65.3316 173.3960 212 I 4.9184 8.8788 126.7154 59.5160 39.1089 174.9907 213 K 4.1779 9.1253 129.8383 55.9008 33.3304 176.9763 214 R 4.1696 8.5025 126.1059 56.5035 29.6037 176.5095 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 5 E 8.30 4.37 0.00 2.03 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 0.00 2.31 2.30 0.00 6 E 8.94 3.81 0.00 2.14 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 0.00 2.42 2.54 0.00 7 R 8.19 3.93 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 8 L 7.95 4.06 0.00 1.79 1.87 1.04 0.82 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 9 K 8.50 4.01 0.00 2.04 2.09 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.61 7.81 10 H 8.62 4.09 0.00 3.36 3.65 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.85 4.17 0.00 2.99 3.26 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 12 L 8.31 3.89 0.00 1.72 1.67 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.74 4.07 0.00 2.04 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 2.31 2.43 0.00 14 K 7.45 4.11 0.00 1.65 1.77 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 15 Q 7.39 4.34 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 16 I 6.85 3.98 1.84 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 1.27 0.49 0.90 0.00 0.00 17 P 0.00 4.47 0.00 2.02 1.96 0.00 3.66 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 2.00 2.05 0.00 18 A 8.23 4.10 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 19 R 8.30 4.37 0.00 1.87 1.90 0.00 3.30 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 20 D 8.45 4.33 0.00 2.72 2.63 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 21 Q 9.00 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 22 Y 8.78 3.96 0.00 3.08 3.05 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 0.00 23 I 7.72 3.95 2.08 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 1.72 0.78 1.02 0.00 0.00 24 E 8.39 4.46 0.00 2.13 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 2.49 0.00 25 Q 7.98 4.33 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.39 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 *27 E 8.21 3.99 0.00 2.22 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 1.92 2.32 0.00 28 R 7.79 3.89 0.00 1.96 1.92 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 29 E 8.70 4.08 0.00 2.03 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 2.41 2.17 0.00 30 A 7.82 3.95 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 31 H 8.05 3.94 0.00 3.30 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.45 4.02 0.00 2.22 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 2.33 2.45 0.00 33 Q 8.19 4.50 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 34 Q 7.51 3.20 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 35 V 8.07 4.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 36 P 0.00 4.48 0.00 2.06 1.94 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 37 I 7.79 4.61 1.59 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.76 0.00 0.00 *39 D 8.98 4.44 0.00 2.84 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 40 L 8.61 4.14 0.00 1.66 1.80 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.20 4.07 0.00 1.72 1.85 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.75 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 *44 E 8.30 4.23 0.00 2.16 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 2.52 2.26 0.00 45 S 8.29 4.12 0.00 4.04 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 46 L 8.09 3.95 0.00 1.79 1.65 1.02 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 47 L 7.85 3.97 0.00 1.84 1.67 0.84 0.92 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 48 H 8.10 4.12 0.00 3.26 3.42 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.87 4.07 0.00 1.80 1.64 0.81 0.64 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 50 L 8.04 4.19 0.00 1.85 1.69 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.88 4.01 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.64 7.81 *53 A 8.08 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4.90 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 80 T 9.00 4.82 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 1.22 0.00 0.00 81 I 9.08 4.94 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 1.11 0.92 0.89 0.00 0.00 82 V 8.99 4.85 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 0.84 0.00 0.00 1.35 0.00 0.00 83 S 9.28 5.10 0.00 3.84 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 84 I 8.46 4.88 1.62 0.00 0.00 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 0.96 0.42 0.82 0.00 0.00 85 E 9.20 4.56 0.00 2.14 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 2.37 2.64 0.00 86 R 9.24 3.68 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.21 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 87 D 8.99 4.95 0.00 2.90 2.64 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 129 V 7.86 4.95 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 1.14 0.00 0.00 0.98 0.00 0.00 130 L 9.22 5.04 0.00 1.67 1.42 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 131 F 9.26 5.16 0.00 3.06 2.84 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 0.00 132 I 8.02 4.70 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 1.24 0.00 0.00 133 D 8.56 4.96 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.74 4.02 0.81 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 0.00 0.00 135 A 8.22 4.09 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 0.00 136 K 8.06 4.14 0.00 2.00 1.96 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.42 7.81 137 G 7.77 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 0.00 138 Q 8.65 3.60 0.00 1.84 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 139 Y 7.73 4.41 0.00 3.29 3.18 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 0.00 140 R 8.11 3.64 0.00 1.84 1.72 0.00 2.21 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 141 R 7.62 3.69 0.00 1.59 1.62 0.00 3.11 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.51 0.00 142 F 7.72 4.69 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.38 4.17 0.00 2.90 3.02 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 0.00 144 D 7.78 4.62 0.00 2.75 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 *146 Y 7.80 4.77 0.00 3.12 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 0.00 147 S 8.02 4.03 0.00 3.56 2.87 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 0.00 148 P 0.00 4.46 0.00 2.07 2.13 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 *150 V 7.47 4.34 2.31 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 0.95 0.00 0.00 1.03 0.00 0.00 151 R 8.85 4.38 0.00 1.95 2.08 0.00 2.85 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 152 P 0.00 4.41 0.00 2.09 2.08 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 153 G 9.19 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.08 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.94 5.52 0.00 1.62 1.59 0.94 1.29 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 0.00 156 I 9.04 4.91 1.90 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 0.96 0.00 0.00 157 L 9.06 4.97 0.00 1.71 1.71 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.75 4.92 0.00 3.72 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 0.00 159 D 8.66 4.51 0.00 2.56 2.45 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 0.00 160 N 8.77 4.49 0.00 3.00 2.81 0.00 0.00 6.95 7.16 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 0.00 161 V 7.97 3.30 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 0.45 0.00 0.00 0.84 0.00 0.00 162 L 7.56 4.52 0.00 1.67 1.68 0.90 0.56 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 0.00 163 F 7.95 4.09 0.00 3.04 3.14 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 *189 Q 7.96 4.30 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 190 W 7.97 4.16 0.00 3.50 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 6.21 3.36 0.00 0.45 1.04 0.21 0.48 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 0.00 192 L 7.54 4.09 0.00 1.60 1.69 0.82 0.76 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 0.00 193 E 8.06 4.45 0.00 1.98 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 2.28 2.24 0.00 194 H 8.63 4.28 0.00 3.57 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.33 0.00 2.13 2.14 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 196 Q 8.38 4.30 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 197 Y 8.13 5.18 0.00 3.00 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 0.00 198 D 9.35 4.81 0.00 2.76 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 0.00 199 T 8.54 5.30 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 200 R 8.91 4.72 0.00 1.94 1.96 0.00 3.07 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 201 I 8.37 4.82 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.92 0.00 0.00 202 F 9.44 4.66 0.00 2.99 3.01 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 0.00 203 P 0.00 5.21 0.00 2.10 2.11 0.00 3.60 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 204 V 7.78 4.46 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 0.91 0.00 0.00 1.03 0.00 0.00 205 G 8.30 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.70 4.65 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 G 8.47 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.76 4.98 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 1.07 0.00 0.00 209 A 8.96 4.74 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 0.00 210 I 9.43 4.62 1.98 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.91 0.00 0.00 211 S 9.18 5.33 0.00 3.94 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 0.00 212 I 8.88 4.92 1.95 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 1.18 0.88 0.96 0.00 0.00 213 K 9.13 4.18 0.00 1.98 1.80 0.00 1.82 0.00 0.00 2.00 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 0.87 7.81 214 R 8.50 4.17 0.00 1.60 1.78 0.00 3.46 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.