NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4855 8.3349 115.5551 58.1797 65.6747 174.9119 10 L 4.3241 8.7258 117.8804 53.8173 42.3842 174.0648 11 K 4.8348 9.0334 121.9540 54.5333 35.8694 174.4253 12 D 5.5494 8.6906 122.5828 51.6713 41.6466 174.9168 13 E 4.7161 9.3571 122.3787 54.4520 32.9738 175.3852 14 V 4.4183 8.2685 123.5983 61.6937 31.6749 175.5188 15 L 4.2063 8.7226 128.7150 56.7720 41.8005 177.6480 16 K 4.5703 7.7272 116.9104 55.6437 35.5494 173.1252 17 I 5.3114 8.5622 117.8304 59.4396 40.1999 174.8547 18 V 4.7834 9.0484 119.1490 58.7873 35.0008 174.9597 19 P 3.6490 0.0000 0.0000 64.9629 32.4074 178.5017 20 V 2.8365 6.8160 116.8421 61.9549 30.3851 172.9014 21 Q 4.9520 8.2389 128.4983 54.0127 32.3904 174.8909 22 K 4.5774 8.2094 120.0611 54.9930 35.3942 175.1338 23 Q 4.5903 8.7487 126.0081 55.9896 29.6418 174.9425 24 T 4.6895 8.3969 114.5617 60.0234 71.0853 174.6352 25 R 3.8640 8.6535 123.9359 59.2833 30.3687 177.5872 26 A 4.0612 8.3459 119.7260 53.2776 18.7911 177.1283 27 G 3.9257 6.8762 102.0972 45.5210 0.0000 170.8367 28 Q 4.6034 8.3091 117.6087 55.6242 29.6549 175.5262 29 R 4.5812 8.9046 123.9186 54.8521 31.8748 174.8551 30 T 4.6441 8.4315 117.1846 61.0271 70.4988 173.9271 31 R 4.7141 7.9690 118.4819 55.1069 33.2714 173.8987 32 F 4.9449 9.5400 117.9524 55.4752 42.7895 174.3219 33 K 4.9617 9.0980 122.8669 54.5595 35.3614 174.6374 34 A 5.2342 8.3435 127.4605 50.2559 22.9817 174.5585 35 F 4.9970 9.4751 120.7064 55.7900 41.5729 175.2110 36 V 4.9554 9.3109 122.6216 61.0576 35.1583 173.7016 37 A 5.2848 9.0882 129.1217 50.2505 21.7907 175.2206 38 I 5.0896 8.9587 122.9516 59.5389 40.9682 174.9710 39 G 4.3919 8.8855 112.3250 45.2741 0.0000 173.5175 40 D 4.5713 8.5814 121.5747 55.0328 41.5326 176.6818 41 H 4.0604 8.3988 116.2273 56.9123 27.8725 173.9863 42 N 4.8757 8.0234 112.3118 52.1341 37.5654 174.9171 43 G 3.8280 7.8755 108.1031 45.6377 0.0000 172.5277 44 H 5.3038 8.1100 117.4445 53.7509 31.3504 173.4675 45 V 4.7662 8.5585 122.3212 61.2452 35.5880 174.3096 46 G 4.8804 9.2193 112.2263 44.3071 0.0000 171.0422 47 L 5.3688 8.8196 125.5618 53.0799 45.3717 175.1955 48 G 4.4602 9.2263 112.3718 44.4867 0.0000 171.6976 49 V 5.0631 8.2550 122.1983 58.3851 33.6661 174.7158 50 K 4.6115 8.4128 125.8868 54.5715 35.7121 174.4623 51 C 5.6352 8.1929 122.6127 58.0737 30.9178 172.8010 52 S 4.5225 8.1018 114.6597 57.8792 66.5517 176.5032 53 K 4.0703 8.9986 122.5564 58.8459 32.4408 177.3140 54 E 4.6504 7.8072 117.2942 54.1572 32.8040 176.9807 55 V 3.3561 7.6773 121.7245 66.0598 31.7271 178.3604 56 A 3.9164 7.7646 119.9721 55.4772 18.2160 179.2884 57 T 3.8105 7.8796 110.8721 65.0975 67.4127 176.0056 58 A 4.0337 7.8986 124.1016 54.6353 18.4501 179.4219 59 I 3.6071 7.9569 117.5430 64.1449 38.0571 178.0696 60 R 3.9601 8.5169 120.1509 59.4565 29.8841 178.7370 61 G 3.6169 8.4628 105.6568 47.5654 0.0000 175.5208 62 A 3.9280 8.4568 123.3175 55.0666 18.4622 179.5567 63 I 3.6259 7.8686 117.2156 64.2094 37.8263 177.8793 64 I 3.6674 7.6442 118.5163 63.9669 38.1425 177.2764 65 L 4.0574 8.1434 121.2134 57.9981 41.9061 178.7932 66 A 4.3734 8.5712 122.7614 54.5724 18.1511 179.7832 67 K 4.0154 8.0121 116.0301 59.9624 32.5811 179.0348 68 L 4.3183 7.6587 119.6897 55.8889 41.9513 176.7399 69 S 4.7546 7.9746 114.9546 56.6685 64.1748 173.0938 70 I 5.1625 8.4687 127.4082 59.5722 40.3897 175.2305 71 V 4.4978 8.7292 125.2465 60.2683 34.5864 172.6969 72 P 4.6048 0.0000 0.0000 62.2471 31.5491 175.5267 73 V 3.9891 8.3908 131.0993 62.4079 33.0997 175.7671 *75 R 3.9226 8.5837 118.6267 55.0169 31.0349 175.1007 76 G 3.7158 7.0353 115.1457 45.7092 0.0000 171.6000 77 Y 4.8140 8.3440 119.1994 55.7612 38.2244 175.3313 78 W 5.2962 8.6924 121.0084 54.2895 31.4756 175.3988 79 G 3.8660 8.7200 108.4629 45.4401 0.0000 172.4062 80 N 4.0392 8.5433 115.2787 53.5090 37.3103 172.9502 81 K 4.1584 7.2679 113.2541 55.6423 36.1772 174.6822 82 I 4.1108 8.3573 120.7320 60.4152 38.3458 175.5900 83 G 4.0630 8.6159 116.7937 45.4573 0.0000 173.6696 84 K 4.3425 8.6020 120.4059 53.6375 32.7471 172.6109 85 P 3.7536 0.0000 0.0000 62.1789 31.2184 177.3164 86 H 4.0594 8.5187 119.5012 56.3569 26.8856 174.5715 87 T 4.8526 7.3418 108.8821 60.0908 70.8830 173.0136 88 V 4.4392 7.9119 119.2584 59.1773 33.6869 174.7787 89 P 4.4722 0.0000 0.0000 66.1119 31.1872 175.2747 90 C 4.5843 7.2647 114.4608 58.8456 32.3716 172.2427 91 K 4.8627 8.3650 121.7450 55.6820 33.1007 176.1085 92 V 4.7842 8.5462 125.0399 60.5277 35.4314 173.6667 93 T 5.0536 8.4779 111.1474 60.0316 71.4924 173.2240 94 G 4.2982 9.1382 112.5222 44.1159 0.0000 171.4568 95 R 5.0138 8.6220 120.0250 54.2599 31.7262 175.2894 96 S 4.5912 9.2048 121.0067 57.1294 65.5948 173.8782 97 G 3.8531 8.5518 115.0693 46.8684 0.0000 174.3242 98 S 4.2917 8.5226 116.8831 59.2972 63.5887 173.1933 99 V 4.7094 8.2553 123.0385 60.3165 32.5336 173.1417 100 P 5.3298 0.0000 0.0000 61.4190 34.1903 174.6724 101 V 4.9120 8.5273 120.0314 59.9989 35.1026 174.1555 102 R 5.0477 9.0740 123.1718 54.5558 33.4004 173.8107 103 L 5.2809 9.1035 125.7854 52.9709 45.1647 175.3213 104 I 4.9496 8.8919 123.0664 58.5709 41.5727 172.9140 105 P 4.9131 0.0000 0.0000 62.7925 32.1304 175.2204 106 A 4.9976 8.2183 122.2727 49.9015 22.2291 174.2543 107 P 4.5296 0.0000 0.0000 61.8910 32.4926 176.2447 108 R 4.8028 7.6040 117.5030 57.3083 30.3930 177.3696 109 G 4.0477 8.8644 109.4849 45.8939 0.0000 175.2114 110 T 3.7799 7.3373 115.5834 65.9701 68.6466 175.4059 111 G 3.7035 9.4772 108.1732 44.5254 0.0000 171.7358 112 I 4.1082 7.7791 112.5409 59.4301 38.2323 176.1369 113 V 4.2020 8.0016 129.6745 60.9345 32.2960 175.1244 114 S 4.7365 7.9845 118.2119 57.4722 66.2608 175.4954 115 A 4.3684 7.9770 123.8372 50.9824 19.4556 175.0527 116 P 4.6871 0.0000 0.0000 63.3027 32.7608 175.5819 117 V 3.3127 8.4234 119.3182 62.9578 31.0406 172.1731 118 P 4.3512 0.0000 0.0000 64.9436 31.7398 178.4914 119 K 4.0304 7.7869 120.5182 58.9054 32.2170 178.8698 120 K 3.8314 7.9805 118.2208 59.3436 31.9923 178.9571 121 L 3.9733 7.8883 120.3734 58.2492 42.0868 179.0656 122 L 4.0283 8.3649 119.5491 57.7801 41.5323 179.4397 123 M 4.1821 8.8874 117.8912 58.8721 31.0396 178.6920 124 M 4.3533 7.8859 118.3576 57.5751 32.1143 178.2524 125 A 4.1154 7.9109 121.3434 53.4291 18.2297 178.9421 126 G 3.6148 8.2983 104.6466 44.9952 0.0000 172.9706 127 I 4.0130 7.3006 120.4911 60.1248 38.4647 175.2725 128 D 4.5506 8.5929 127.5663 55.9579 41.6264 176.2282 129 D 5.1977 8.3336 118.7669 51.9295 44.5689 174.7697 130 C 5.0228 8.2676 119.4863 58.8228 33.2762 172.3651 131 Y 4.9092 8.9753 118.9203 56.5978 40.0999 175.0251 132 T 5.3708 8.4166 117.7123 60.6243 71.5959 173.2261 133 S 4.6670 8.7115 117.8938 57.2638 66.3506 173.6561 134 A 5.1275 8.7113 126.9201 51.9896 19.5143 175.8793 135 R 4.4153 8.9995 120.2517 56.2404 34.1034 174.4686 136 G 3.9080 8.7224 108.1863 44.5502 0.0000 172.8469 137 C 4.2370 8.6574 117.9556 61.6407 31.3116 173.8818 138 T 4.5951 7.8744 109.6984 59.4585 70.1993 174.8706 139 A 4.1317 8.8923 128.6555 54.6297 19.0722 177.8007 140 T 3.8146 7.8928 112.4662 63.3689 69.0746 174.2766 141 L 4.1563 8.7366 127.7899 58.8041 40.5793 179.5296 142 G 3.6388 8.0263 106.1402 47.7569 0.0000 175.3351 143 N 4.4336 8.1499 118.7807 55.7167 38.5166 177.2501 144 F 3.6460 8.7557 122.4954 60.9838 39.5195 177.0837 145 A 4.1409 8.7431 120.8384 55.2272 18.1474 179.7269 146 K 3.9402 8.1352 116.8016 59.5450 32.0487 179.4398 147 A 4.4059 8.1628 122.6301 54.7475 18.1879 179.7477 148 T 3.8171 8.0720 108.6201 64.9054 68.8207 176.3841 149 F 4.0188 8.4035 123.6762 61.0293 39.2233 176.5207 150 D 4.3748 8.3866 116.4364 57.2722 41.3241 177.8042 151 A 4.1013 8.3004 121.6461 55.2997 17.9275 179.6240 152 I 3.5593 8.0171 118.7543 64.5253 36.8571 178.6384 153 S 3.8644 7.6514 113.1788 61.1176 62.2654 175.8471 154 K 4.1019 7.6756 121.6385 58.3486 32.2807 177.5603 155 T 3.9755 6.8938 108.5649 62.0112 69.0595 173.0090 156 Y 4.6283 8.2484 121.4904 56.1324 41.9790 175.4792 157 S 4.4601 8.8344 115.6005 58.6388 63.4859 174.0486 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 9 S 8.33 4.49 0.00 3.90 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.73 4.32 0.00 1.66 1.59 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 K 9.03 4.83 0.00 1.61 1.68 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.50 7.81 12 D 8.69 5.55 0.00 2.65 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 13 E 9.36 4.72 0.00 1.86 1.87 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 2.23 2.37 0.00 14 V 8.27 4.42 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 0.90 0.00 0.00 0.95 0.00 0.00 15 L 8.72 4.21 0.00 1.71 1.66 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.73 4.57 0.00 1.76 1.62 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.41 7.81 17 I 8.56 5.31 1.97 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 1.41 0.93 0.97 0.00 0.00 18 V 9.05 4.78 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 0.85 0.00 0.00 1.00 0.00 0.00 19 P 0.00 3.65 0.00 1.99 2.29 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 20 V 6.82 2.84 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 0.90 0.00 0.00 0.91 0.00 0.00 21 Q 8.24 4.95 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.49 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 22 K 8.21 4.58 0.00 1.78 1.56 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.35 7.81 23 Q 8.75 4.59 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 24 T 8.40 4.69 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 1.30 0.00 0.00 25 R 8.65 3.86 0.00 1.78 1.94 0.00 3.34 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 1.61 1.69 0.00 26 A 8.35 4.06 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 27 G 6.88 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 0.00 0.00 0.00 28 Q 8.31 4.60 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 29 R 8.90 4.58 0.00 1.86 1.80 0.00 3.07 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 30 T 8.43 4.64 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 1.14 0.00 0.00 31 R 7.97 4.71 0.00 1.79 1.85 0.00 2.96 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 32 F 9.54 4.94 0.00 2.99 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 33 K 9.10 4.96 0.00 1.72 1.58 0.00 1.18 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.80 1.03 7.81 34 A 8.34 5.23 1.18 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 0.00 0.00 35 F 9.48 5.00 0.00 3.11 3.03 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 36 V 9.31 4.96 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 1.12 0.00 0.00 0.95 0.00 0.00 37 A 9.09 5.28 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 38 I 8.96 5.09 1.90 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 1.18 0.63 0.93 0.00 0.00 39 G 8.89 4.39 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 0.00 40 D 8.58 4.57 0.00 2.64 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.40 4.06 0.00 3.32 3.40 0.00 5.91 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.02 4.88 0.00 2.90 3.04 0.00 0.00 7.12 6.88 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 43 G 7.88 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 44 H 8.11 5.30 0.00 3.11 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.56 4.77 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 1.09 0.00 0.00 0.95 0.00 0.00 46 G 9.22 4.88 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 47 L 8.82 5.37 0.00 1.84 1.40 1.10 0.99 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 48 G 9.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 5.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.31 0.00 0.00 50 K 8.41 4.61 0.00 1.75 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 51 C 8.19 5.64 0.00 2.83 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 52 S 8.10 4.52 0.00 4.00 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 53 K 9.00 4.07 0.00 1.75 1.88 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.45 7.81 54 E 7.81 4.65 0.00 2.00 1.74 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 2.29 2.34 0.00 55 V 7.68 3.36 1.80 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 1.03 0.00 0.00 -0.11 0.00 0.00 56 A 7.76 3.92 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 57 T 7.88 3.81 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 1.28 0.00 0.00 58 A 7.90 4.03 1.51 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 59 I 7.96 3.61 1.86 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 1.41 1.60 0.95 0.00 0.00 60 R 8.52 3.96 0.00 1.86 2.04 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 61 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.46 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.87 3.63 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 1.41 1.33 0.93 0.00 0.00 64 I 7.64 3.67 1.86 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 1.40 0.93 0.98 0.00 0.00 65 L 8.14 4.06 0.00 1.85 1.82 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.57 4.37 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 67 K 8.01 4.02 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.47 7.81 68 L 7.66 4.32 0.00 1.88 1.78 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.97 4.75 0.00 3.91 3.75 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 70 I 8.47 5.16 1.91 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 1.27 0.97 1.06 0.00 0.00 71 V 8.73 4.50 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 0.78 0.00 0.00 0.51 0.00 0.00 72 P 0.00 4.60 0.00 1.99 1.97 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 73 V 8.39 3.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.82 0.00 0.00 *75 R 8.58 3.92 0.00 1.67 1.68 0.00 3.28 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.69 0.00 76 G 7.04 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 77 Y 8.34 4.81 0.00 2.92 2.94 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 78 W 8.69 5.30 0.00 3.31 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 79 G 8.72 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 80 N 8.54 4.04 0.00 2.75 2.73 0.00 0.00 6.86 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 81 K 7.27 4.16 0.00 1.11 1.28 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.53 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.84 0.95 7.81 82 I 8.36 4.11 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 1.06 0.00 0.00 83 G 8.62 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.60 4.34 0.00 1.60 1.57 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.33 1.45 7.81 85 P 0.00 3.75 0.00 2.15 1.83 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 86 H 8.52 4.06 0.00 3.39 3.42 0.00 5.75 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 87 T 7.34 4.85 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 1.38 0.00 0.00 88 V 7.91 4.44 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 0.92 0.00 0.00 0.89 0.00 0.00 89 P 0.00 4.47 0.00 2.34 2.26 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 90 C 7.26 4.58 0.00 3.16 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 91 K 8.36 4.86 0.00 1.78 1.70 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.76 7.81 92 V 8.55 4.78 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 0.93 0.00 0.00 93 T 8.48 5.05 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 1.22 0.00 0.00 94 G 9.14 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 0.00 0.00 0.00 0.00 95 R 8.62 5.01 0.00 1.76 1.89 0.00 2.98 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 96 S 9.20 4.59 0.00 3.86 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 97 G 8.55 3.85 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 0.00 98 S 8.52 4.29 0.00 3.91 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 99 V 8.26 4.71 2.15 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 0.93 0.00 0.00 1.03 0.00 0.00 100 P 0.00 5.33 0.00 2.14 2.11 0.00 3.85 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 2.08 1.95 0.00 101 V 8.53 4.91 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 0.00 0.00 0.56 0.00 0.00 1.21 0.00 0.00 102 R 9.07 5.05 0.00 1.93 1.83 0.00 3.06 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 103 L 9.10 5.28 0.00 1.59 1.53 0.93 0.50 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 0.00 104 I 8.89 4.95 1.93 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 1.28 1.78 1.12 0.00 0.00 105 P 0.00 4.91 0.00 2.01 2.14 0.00 3.74 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 2.01 2.24 0.00 106 A 8.22 5.00 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 0.00 107 P 0.00 4.53 0.00 2.27 2.23 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 108 R 7.60 4.80 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.95 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 109 G 8.86 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 0.00 0.00 0.00 0.00 110 T 7.34 3.78 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 0.56 0.00 0.00 111 G 9.48 3.70 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 0.00 0.00 0.00 112 I 7.78 4.11 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.90 0.00 0.00 113 V 8.00 4.20 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 0.57 0.00 0.00 0.95 0.00 0.00 114 S 7.98 4.74 0.00 3.80 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 0.00 115 A 7.98 4.37 1.11 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 0.00 116 P 0.00 4.69 0.00 1.96 1.99 0.00 3.72 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 1.96 2.01 0.00 117 V 8.42 3.31 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.02 0.00 0.00 118 P 0.00 4.35 0.00 2.30 2.60 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.24 0.00 119 K 7.79 4.03 0.00 1.96 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.31 7.81 120 K 7.98 3.83 0.00 1.83 1.86 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 121 L 7.89 3.97 0.00 1.86 1.87 1.07 0.81 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 0.00 122 L 8.36 4.03 0.00 1.80 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.89 4.18 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 124 M 7.89 4.35 0.00 2.06 2.20 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 2.89 2.58 0.00 125 A 7.91 4.12 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 0.00 126 G 8.30 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 0.00 0.00 0.00 127 I 7.30 4.01 1.80 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 1.25 0.87 0.90 0.00 0.00 128 D 8.59 4.55 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.33 5.20 0.00 2.49 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 5.02 0.00 2.77 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 0.00 131 Y 8.98 4.91 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.42 5.37 4.27 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 1.23 0.00 0.00 133 S 8.71 4.67 0.00 3.97 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 0.00 134 A 8.71 5.13 1.16 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 0.00 0.00 0.00 0.00 0.00 135 R 9.00 4.42 0.00 1.85 1.84 0.00 3.37 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 136 G 8.72 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 0.00 0.00 0.00 137 C 8.66 4.24 0.00 2.95 3.10 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 0.00 0.00 0.00 138 T 7.87 4.60 4.27 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 1.23 0.00 0.00 139 A 8.89 4.13 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 0.00 140 T 7.89 3.81 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 1.28 0.00 0.00 141 L 8.74 4.16 0.00 1.77 1.84 0.57 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.03 3.64 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 0.00 0.00 0.00 143 N 8.15 4.43 0.00 2.78 2.87 0.00 0.00 6.73 8.13 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 0.00 144 F 8.76 3.65 0.00 3.25 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 0.00 145 A 8.74 4.14 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 0.00 146 K 8.14 3.94 0.00 1.94 1.89 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.61 7.81 147 A 8.16 4.41 1.05 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 0.00 0.00 148 T 8.07 3.82 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 1.64 0.00 0.00 149 F 8.40 4.02 0.00 3.28 3.31 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 0.00 150 D 8.39 4.37 0.00 2.84 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 0.00 151 A 8.30 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.02 3.56 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.73 0.00 0.00 153 S 7.65 3.86 0.00 3.61 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 0.00 154 K 7.68 4.10 0.00 1.80 1.97 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.56 7.81 155 T 6.89 3.98 4.17 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 1.22 0.00 0.00 156 Y 8.25 4.63 0.00 2.94 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 0.00 157 S 8.83 4.46 0.00 4.13 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 * Residues marked with a * may have inaccurate shift predictions.