NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4763 8.3349 115.3036 58.1593 63.4288 173.2653 3 L 4.4843 8.4641 128.0752 51.9052 43.7757 173.6564 4 P 4.5322 0.0000 0.0000 63.3060 32.7399 175.7379 5 D 4.2214 9.6686 116.5006 55.6938 38.4635 174.7857 6 G 3.7720 8.4963 104.1361 45.8271 0.0000 173.4261 7 F 5.3941 7.7434 116.2360 55.6730 42.4774 174.0717 8 Y 5.3273 8.6213 117.6203 55.8047 41.7932 173.3821 9 I 5.0474 8.4947 120.3253 59.4187 40.7095 174.3331 10 R 4.8075 8.3416 123.8067 54.0376 32.9209 177.1609 11 R 4.9444 8.3868 124.6229 55.3045 29.2034 178.4569 *13 E 4.2647 8.5696 125.9835 56.8714 30.2663 176.0384 14 E 4.4428 8.9521 120.2648 59.9836 29.2602 179.7722 15 G 3.8226 8.1108 103.1486 46.6300 0.0000 174.2783 16 D 4.6336 8.7571 120.8105 54.6447 40.9931 177.5157 17 L 2.7660 7.2431 122.1931 58.0244 41.8928 178.5980 18 E 3.8407 7.8855 116.3204 59.8321 29.5232 179.0143 19 Q 3.9982 8.3162 120.1776 58.1652 28.6574 178.9852 20 V 3.6623 7.9584 119.6474 65.9340 31.4870 178.2382 21 T 3.8404 7.9152 109.7528 64.5853 68.2986 176.1761 22 E 3.8960 7.9565 121.5732 59.3721 30.1809 178.7402 23 T 4.0995 8.1807 109.6937 64.4586 68.8839 176.5466 24 L 4.1428 8.2568 121.8549 57.1178 40.0512 179.2632 25 K 4.6538 7.8674 119.8226 58.6241 31.6307 179.1879 26 V 3.8601 7.3383 117.8578 65.7420 31.3680 177.6111 27 L 4.1131 7.8714 119.4785 58.8212 42.9504 176.0595 28 T 4.1300 7.4267 114.3070 62.1978 71.1352 171.8039 29 T 4.3555 8.6287 115.8712 61.8541 68.1093 174.6607 30 V 3.8740 8.6472 128.3400 63.8668 32.5617 176.6262 31 G 3.8448 7.9284 105.8650 44.6251 0.0000 172.0773 32 T 4.1074 8.1483 115.1904 63.1859 68.9675 174.8807 33 I 4.4433 7.9694 126.7532 58.9448 40.2274 175.5507 34 T 4.1466 8.3910 117.2668 60.6053 70.9713 173.4113 35 P 4.2652 0.0000 0.0000 66.3806 31.0225 178.6512 36 E 3.9824 8.0948 117.7443 59.2217 29.4992 178.7581 37 S 4.0660 7.9993 115.2158 61.7442 62.8926 176.3424 38 F 3.8618 8.3300 123.0167 61.8439 39.0099 177.0598 39 C 3.8387 8.0881 115.7905 62.6910 27.7842 176.3521 40 K 3.9546 7.8868 119.7509 59.0507 31.5393 179.1108 41 L 3.5727 7.8471 120.8877 58.1901 41.9282 179.1436 42 I 3.3515 7.7890 120.6239 64.1293 36.4167 178.3992 43 K 3.9790 8.1755 120.9534 59.3629 31.8840 178.4085 44 Y 4.2270 8.0912 120.1664 60.6695 38.6012 177.9567 45 W 4.0180 8.1265 118.5104 59.0930 29.1505 177.2429 46 N 4.7695 7.9608 114.0291 53.6707 38.5095 175.7920 47 E 4.5637 7.4688 118.3715 56.2540 31.2780 176.5009 48 A 4.0595 7.6582 122.1694 52.9629 18.7136 176.6187 49 T 4.8688 8.3364 118.9688 61.7509 72.2827 173.5814 50 V 4.2564 8.5649 124.8483 60.7026 32.7630 175.4657 51 W 4.3086 9.0692 135.0000 57.4316 30.7213 174.2536 52 N 4.3542 8.2086 124.3517 53.4653 38.1342 173.3597 53 D 4.4785 7.7273 111.7458 55.0771 46.0087 176.3783 54 N 4.9792 7.2608 120.5363 52.7406 36.1516 176.3098 *56 D 5.1668 8.7275 112.2514 53.7714 42.0855 174.3321 57 K 4.4859 7.9420 118.1306 54.4689 33.7977 175.8912 58 K 4.1982 8.5795 124.8594 55.6695 32.9598 176.0687 59 I 3.7311 7.7417 128.4355 59.8220 39.9568 174.9135 *61 Q 4.0009 8.5177 119.9457 56.4784 31.0769 175.2809 62 Y 4.5071 7.7791 114.5783 55.8692 39.3083 176.1494 63 N 5.1434 8.5113 120.0929 51.0774 38.7227 172.1395 64 P 4.3109 0.0000 0.0000 62.5991 33.9094 177.3171 *66 V 4.0721 8.1481 113.4485 61.4949 33.5788 174.4033 67 I 4.3918 8.7172 126.6005 60.3763 38.7167 174.8080 68 V 4.5067 8.5898 128.3627 60.7981 34.0218 174.0832 69 D 4.4343 9.2868 128.5835 53.5966 41.2528 176.8967 70 K 4.1858 8.9939 129.2001 59.4355 32.6223 178.0661 71 R 4.0914 8.4502 118.2542 59.0379 29.9943 177.5034 72 T 4.6244 7.4110 103.3186 60.3442 69.6756 173.0531 73 E 3.9377 8.0814 119.1742 58.1325 27.9049 174.4612 74 T 4.8678 7.5672 106.5089 59.9125 71.9472 173.7336 75 V 4.0153 8.2368 124.0208 63.1147 31.4451 175.5608 76 A 4.0557 9.1422 130.2929 53.7580 20.3803 176.3415 77 A 4.8108 7.3943 114.2204 51.8103 22.7710 175.2402 78 T 4.8630 8.8607 113.3564 61.0221 71.2611 172.8473 79 G 4.5103 8.3170 111.9358 45.4608 0.0000 171.6593 80 N 5.3699 8.7852 118.0718 50.6570 43.1167 172.9864 81 I 4.9004 8.0904 123.2381 59.3954 40.7981 174.2102 82 I 4.2965 8.8971 130.9082 60.0975 39.0639 174.7326 83 I 4.6529 8.4282 127.9608 59.7674 38.4585 174.7143 84 E 4.6926 9.3683 128.5880 54.2640 32.4591 174.2483 85 R 5.0742 8.6080 125.8404 54.8348 32.3508 175.1066 86 K 4.7200 9.2651 126.1814 55.2589 35.4166 176.3353 87 I 4.0558 8.2778 119.3268 63.2313 38.4534 176.6767 88 I 4.0566 7.5213 112.6685 61.4074 38.2135 174.5708 89 H 3.8166 8.8807 114.6512 57.4533 26.2412 174.8854 90 E 3.6323 8.7025 111.9545 57.9711 27.1916 175.2864 91 L 4.4471 7.6280 112.7471 55.2761 40.0876 175.1966 92 G 4.0595 8.4246 106.5928 46.2874 0.0000 172.8507 93 L 5.4240 8.7217 119.3682 52.9052 44.6856 175.2611 94 C 4.8920 9.3181 124.0824 57.4138 34.4908 172.8967 95 G 4.2355 8.5392 113.2198 45.3851 0.0000 172.4901 96 H 5.2736 9.0308 119.4058 53.7514 32.3231 172.7605 97 I 4.5031 8.5960 125.7170 61.0219 37.9670 175.5652 98 E 4.5759 9.2361 125.1396 54.1530 34.2884 174.6437 99 D 4.3713 8.3019 118.3202 55.4716 38.4004 173.8237 100 I 4.6440 7.3572 117.9846 60.7792 38.8541 177.3857 101 A 4.6361 9.2374 128.1121 50.5451 22.9027 174.8075 102 V 4.4828 8.1971 122.0736 60.6018 33.6210 174.9823 103 N 4.4167 9.4079 127.3870 53.9545 39.4463 175.7281 104 S 4.1477 9.0594 121.8475 61.7049 63.0270 175.5781 105 K 4.2225 8.1855 116.1807 57.5312 32.5386 176.6028 106 Y 5.1103 7.9988 115.8070 56.9446 38.8174 175.8020 107 Q 4.0896 8.0325 119.5418 56.8596 29.3621 176.8272 108 G 4.0336 8.6248 106.5460 46.6576 0.0000 174.3649 109 Q 4.3366 7.7398 117.4585 55.2371 29.4844 177.2367 110 G 4.0315 8.1594 106.7863 45.8847 0.0000 175.4893 111 L 3.9339 7.7992 121.5771 57.2133 41.5351 179.1279 112 G 3.8187 8.1402 105.3873 48.0610 0.0000 175.4183 113 K 3.9603 8.1514 121.8401 58.9928 32.3404 178.7509 114 L 3.9612 7.6767 119.5360 57.4311 41.5010 179.1940 115 L 3.9070 8.4209 120.7095 58.1712 42.0907 179.0055 116 I 3.7397 7.9299 119.6849 64.6975 37.1320 177.8856 117 D 4.4163 8.3295 119.8381 57.7926 40.5979 179.0487 118 Q 3.9801 8.0756 119.5642 58.9875 28.9768 178.2436 119 L 3.9101 7.9216 120.2014 57.6640 41.5991 179.4955 120 V 3.2553 7.8494 118.1901 66.2133 31.3474 178.2577 121 T 3.8890 7.7811 115.3783 66.5422 68.1413 176.6535 122 I 3.4911 7.8795 122.0141 64.2891 37.1811 178.7350 123 G 3.5446 8.1918 106.7326 47.9653 0.0000 175.8318 124 F 4.7168 8.2268 120.7902 60.2890 38.6302 177.6069 125 D 4.4056 8.1314 118.1987 57.4194 40.6253 178.0505 126 Y 4.5800 7.4875 116.7058 59.7743 37.8430 176.5533 127 G 4.2082 7.6265 107.4351 45.4136 0.0000 173.7565 128 C 4.3758 8.1074 118.1323 60.0771 28.3899 173.6594 129 Y 4.4365 8.4140 121.5950 57.6538 38.4982 174.7900 130 K 4.4750 6.7675 118.4995 56.7780 35.6209 173.8994 131 I 5.0859 8.1662 120.8107 59.7773 40.8437 174.6775 132 I 4.9351 8.7304 120.0606 59.3718 41.3024 173.8975 133 L 4.6555 7.9928 121.2961 55.2953 42.9796 173.7798 134 D 4.9088 8.2565 118.7684 52.8289 43.7306 175.0523 135 C 4.5658 7.9157 115.2111 57.3033 32.7214 172.6771 136 D 4.6769 8.3403 118.8776 53.2062 42.0190 176.4451 137 E 3.9867 8.7331 123.1451 59.3564 29.3754 178.8987 138 K 3.8865 8.3002 117.1522 59.1840 32.3503 177.6390 139 N 4.8244 7.8886 114.0417 52.9135 38.7785 176.8028 140 V 3.7260 7.8567 122.1639 66.1774 31.5865 177.8252 141 K 4.0600 8.1842 117.4631 59.6812 31.8180 178.6232 142 F 3.9450 8.2559 120.0446 61.7570 39.1984 176.6424 143 Y 4.0006 8.0883 115.9028 60.6698 37.6009 177.9883 144 E 4.9154 8.5419 121.7457 58.9641 29.3056 179.4359 145 K 4.0476 7.8525 117.7464 59.1093 32.0930 178.2147 146 C 4.4659 7.3079 114.7119 59.6167 28.1025 174.3697 147 G 3.8616 7.9823 108.8971 45.4644 0.0000 173.7739 148 F 4.6554 8.5395 118.8208 55.8593 40.6763 175.0079 149 S 5.0453 8.2396 115.7105 55.9371 65.9085 173.4518 150 N 4.3526 8.8626 120.0451 54.2704 38.9840 174.3991 151 A 4.6995 9.3112 125.2859 50.4720 20.9983 175.9295 152 G 3.9174 6.2380 100.8557 45.7183 0.0000 171.4819 153 V 4.2990 7.9813 118.5144 60.9334 33.7960 175.9745 154 E 4.2654 8.4379 127.5919 54.8059 31.1346 174.6146 *156 Q 4.1716 8.0767 117.5842 56.0008 29.5293 174.3690 157 I 4.5765 7.9732 117.6923 59.5881 41.1305 175.0947 158 R 4.2467 8.6161 125.0542 56.3808 30.2921 175.8005 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 2 S 8.33 4.48 0.00 3.88 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 3 L 8.46 4.48 0.00 1.95 1.68 0.91 0.81 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 4 P 0.00 4.53 0.00 2.25 2.02 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 5 D 9.67 4.22 0.00 3.10 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 6 G 8.50 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.74 5.39 0.00 3.10 2.86 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 8 Y 8.62 5.33 0.00 3.09 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 9 I 8.49 5.05 1.86 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 1.10 0.95 0.00 0.00 10 R 8.34 4.81 0.00 1.94 2.14 0.00 3.29 0.00 0.00 3.66 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 11 R 8.39 4.94 0.00 1.89 1.46 0.00 3.33 0.00 0.00 3.93 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 *13 E 8.57 4.26 0.00 2.30 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 2.36 2.42 0.00 14 E 8.95 4.44 0.00 2.10 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 0.00 2.41 2.44 0.00 15 G 8.11 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 16 D 8.76 4.63 0.00 2.98 2.79 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 17 L 7.24 2.77 0.00 0.82 1.37 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.89 3.84 0.00 2.23 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 0.00 2.33 2.40 0.00 19 Q 8.32 4.00 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 20 V 7.96 3.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.02 0.00 0.00 21 T 7.92 3.84 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 E 7.96 3.90 0.00 2.09 2.22 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 2.33 2.32 0.00 23 T 8.18 4.10 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 1.31 0.00 0.00 24 L 8.26 4.14 0.00 1.96 1.80 1.03 1.19 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 25 K 7.87 4.65 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 V 7.34 3.86 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 0.82 0.00 0.00 0.96 0.00 0.00 27 L 7.87 4.11 0.00 1.66 1.92 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.43 4.13 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 29 T 8.63 4.36 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 1.22 0.00 0.00 30 V 8.65 3.87 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 0.86 0.00 0.00 0.98 0.00 0.00 31 G 7.93 3.84 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 0.00 0.00 0.00 32 T 8.15 4.11 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 1.20 0.00 0.00 33 I 7.97 4.44 1.83 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 1.48 0.66 0.97 0.00 0.00 34 T 8.39 4.15 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 1.20 0.00 0.00 35 P 0.00 4.27 0.00 2.30 2.38 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 36 E 8.09 3.98 0.00 2.04 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 2.40 2.40 0.00 37 S 8.00 4.07 0.00 4.04 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 38 F 8.33 3.86 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.09 3.84 0.00 3.04 3.04 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 40 K 7.89 3.95 0.00 1.87 1.77 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.58 7.81 41 L 7.85 3.57 0.00 1.33 1.20 0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.79 3.35 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.31 0.86 0.00 0.00 43 K 8.18 3.98 0.00 1.94 1.89 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 44 Y 8.09 4.23 0.00 2.93 2.97 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 45 W 8.13 4.02 0.00 3.32 2.97 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 46 N 7.96 4.77 0.00 2.74 2.89 0.00 0.00 6.87 7.82 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 47 E 7.47 4.56 0.00 2.07 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 2.28 2.53 0.00 48 A 7.66 4.06 1.08 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 49 T 8.34 4.87 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 50 V 8.56 4.26 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 0.70 0.00 0.00 0.84 0.00 0.00 51 W 9.07 4.31 0.00 3.32 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.35 0.00 2.43 1.98 0.00 0.00 6.83 8.47 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 53 D 7.73 4.48 0.00 2.32 2.38 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 54 N 7.26 4.98 0.00 3.10 1.95 0.00 0.00 6.00 8.07 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 *56 D 8.73 5.17 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.94 4.49 0.00 1.75 1.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 58 K 8.58 4.20 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 59 I 7.74 3.73 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.06 0.00 0.00 *61 Q 8.52 4.00 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 1.64 2.31 0.00 62 Y 7.78 4.51 0.00 2.34 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.51 5.14 0.00 2.75 2.69 0.00 0.00 6.50 7.79 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 64 P 0.00 4.31 0.00 2.32 1.62 0.00 3.44 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 2.19 1.54 0.00 *66 V 8.15 4.07 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 0.94 0.00 0.00 1.00 0.00 0.00 67 I 8.72 4.39 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.70 0.00 0.00 68 V 8.59 4.51 0.67 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 0.93 0.00 0.00 0.45 0.00 0.00 69 D 9.29 4.43 0.00 2.70 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 70 K 8.99 4.19 0.00 1.86 1.98 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.49 7.81 71 R 8.45 4.09 0.00 1.92 1.98 0.00 3.10 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 72 T 7.41 4.62 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 1.23 0.00 0.00 73 E 8.08 3.94 0.00 2.18 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 0.00 2.33 2.44 0.00 74 T 7.57 4.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 V 8.24 4.02 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 0.77 0.00 0.00 0.93 0.00 0.00 76 A 9.14 4.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.39 4.81 1.15 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 78 T 8.86 4.86 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 1.26 0.00 0.00 79 G 8.32 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.79 5.37 0.00 2.66 2.51 0.00 0.00 6.49 7.88 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 81 I 8.09 4.90 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.88 0.00 0.00 82 I 8.90 4.30 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.19 0.53 0.00 0.00 83 I 8.43 4.65 1.66 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 1.27 0.59 0.78 0.00 0.00 84 E 9.37 4.69 0.00 1.96 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 2.25 2.24 0.00 85 R 8.61 5.07 0.00 1.93 1.91 0.00 3.71 0.00 0.00 3.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 86 K 9.27 4.72 0.00 1.79 1.80 0.00 1.96 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.54 7.81 87 I 8.28 4.06 1.89 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 1.49 0.68 0.92 0.00 0.00 88 I 7.52 4.06 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.90 0.00 0.00 89 H 8.88 3.82 0.00 2.75 2.88 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.70 3.63 0.00 2.09 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 2.28 0.00 91 L 7.63 4.45 0.00 1.89 1.92 1.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.42 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 93 L 8.72 5.42 0.00 1.68 1.59 0.92 0.68 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 94 C 9.32 4.89 0.00 2.86 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 95 G 8.54 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 0.00 0.00 0.00 0.00 96 H 9.03 5.27 0.00 2.93 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.60 4.50 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.90 0.00 0.00 98 E 9.24 4.58 0.00 1.77 1.78 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 2.33 2.40 0.00 99 D 8.30 4.37 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.36 4.64 1.92 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 1.32 0.51 0.93 0.00 0.00 101 A 9.24 4.64 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 0.00 102 V 8.20 4.48 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 0.81 0.00 0.00 0.89 0.00 0.00 103 N 9.41 4.42 0.00 2.89 2.99 0.00 0.00 6.85 7.75 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 0.00 104 S 9.06 4.15 0.00 3.90 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 0.00 105 K 8.19 4.22 0.00 1.65 1.80 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 0.74 7.81 106 Y 8.00 5.11 0.00 2.84 2.86 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 0.00 107 Q 8.03 4.09 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.14 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 108 G 8.62 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 0.00 109 Q 7.74 4.34 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.53 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 110 G 8.16 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 0.00 111 L 7.80 3.93 0.00 1.55 1.50 0.14 0.23 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 0.00 112 G 8.14 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 0.00 113 K 8.15 3.96 0.00 1.73 1.79 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.31 7.81 114 L 7.68 3.96 0.00 1.79 1.66 0.90 0.53 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 0.00 115 L 8.42 3.91 0.00 1.77 1.97 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.93 3.74 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.07 1.18 0.00 0.00 117 D 8.33 4.42 0.00 2.81 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 0.00 118 Q 8.08 3.98 0.00 2.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 119 L 7.92 3.91 0.00 1.89 1.66 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.85 3.26 2.20 0.00 0.00 0.00 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 0.93 0.00 0.00 121 T 7.78 3.89 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 1.18 0.00 0.00 122 I 7.88 3.49 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.42 0.65 0.00 0.00 123 G 8.19 3.54 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 0.00 0.00 0.00 124 F 8.23 4.72 0.00 3.07 2.93 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 0.00 125 D 8.13 4.41 0.00 2.61 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 0.00 126 Y 7.49 4.58 0.00 3.11 2.86 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 0.00 127 G 7.63 4.21 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 0.00 0.00 0.00 128 C 8.11 4.38 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 0.00 129 Y 8.41 4.44 0.00 3.06 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 0.00 130 K 6.77 4.48 0.00 1.68 1.73 0.00 1.38 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.86 7.81 131 I 8.17 5.09 1.63 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 1.14 0.19 0.88 0.00 0.00 132 I 8.73 4.94 1.84 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 1.25 1.18 0.87 0.00 0.00 133 L 7.99 4.66 0.00 1.53 1.40 -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.26 4.91 0.00 2.57 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 0.00 135 C 7.92 4.57 0.00 3.14 2.67 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 0.00 136 D 8.34 4.68 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.73 3.99 0.00 2.06 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 2.40 2.36 0.00 138 K 8.30 3.89 0.00 1.77 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.73 7.81 139 N 7.89 4.82 0.00 3.01 2.94 0.00 0.00 6.54 7.53 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 0.00 140 V 7.86 3.73 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 1.16 0.00 0.00 1.07 0.00 0.00 141 K 8.18 4.06 0.00 1.86 1.89 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.49 7.81 142 F 8.26 3.95 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.09 4.00 0.00 3.19 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 0.00 144 E 8.54 4.92 0.00 2.17 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 2.42 2.56 0.00 145 K 7.85 4.05 0.00 1.56 1.73 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.70 7.81 146 C 7.31 4.47 0.00 3.26 3.11 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 0.00 147 G 7.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.54 4.66 0.00 3.37 3.04 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 0.00 149 S 8.24 5.05 0.00 3.96 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 0.00 150 N 8.86 4.35 0.00 2.74 2.81 0.00 0.00 6.74 7.96 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 0.00 151 A 9.31 4.70 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 0.00 152 G 6.24 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 0.00 153 V 7.98 4.30 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 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.44 4.27 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 *156 Q 8.08 4.17 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 157 I 7.97 4.58 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 1.42 0.88 0.92 0.00 0.00 158 R 8.62 4.25 0.00 1.81 1.79 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.