NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5405 8.1849 122.7566 55.2865 43.4226 175.6719 2 T 4.4378 9.2397 124.8498 61.7017 70.3915 168.6229 3 V 4.8140 9.7222 126.8732 61.0696 34.6628 173.8774 4 V 4.7405 8.6210 128.0360 61.0046 34.1738 173.7180 5 L 4.9445 9.0764 130.7448 53.6919 43.8034 174.6033 6 I 4.6005 8.7611 127.9498 59.6633 39.8910 174.5657 7 V 4.5264 8.8628 131.2731 61.9506 31.7351 173.5241 8 D 4.8028 8.5655 125.4546 52.9780 44.4668 174.3280 9 D 4.5184 8.7630 124.0926 54.6448 41.4044 175.6287 10 H 4.7968 8.3421 115.9747 53.8955 31.2262 173.3132 11 H 4.0659 8.9566 125.9772 59.7868 29.5721 176.9117 12 L 4.0161 7.8540 119.6747 57.4075 41.4783 179.5184 13 I 3.6434 7.6246 119.5086 64.3445 37.1344 178.0687 14 R 3.8558 8.1316 118.8875 59.5821 29.8973 179.0187 15 A 4.0379 8.4411 120.6736 54.7987 18.3337 179.6606 16 G 3.6225 8.2377 104.3078 48.1716 0.0000 175.7103 17 A 4.0053 7.9708 123.7660 54.3705 18.3225 179.6638 18 K 3.8403 8.2188 118.2178 59.7077 32.3195 178.7669 19 N 4.3011 8.3753 117.0426 56.1791 38.3471 177.0495 20 L 3.9050 7.9194 121.4867 58.2409 42.2446 179.0939 21 L 4.2191 8.1433 118.8901 58.0705 41.4246 179.4526 22 E 4.1875 8.2835 117.3667 59.3445 29.4097 179.4205 23 G 3.7026 8.1156 104.9604 47.1602 0.0000 174.8456 24 A 4.3403 7.6375 121.5464 51.5497 19.8126 177.2545 25 F 4.8093 7.7935 115.8915 55.6002 41.7544 175.6630 26 S 4.3214 9.0566 120.5671 61.2585 63.3734 174.9128 27 G 4.1511 8.0270 107.4511 46.5638 0.0000 172.5491 28 M 5.2842 8.2057 119.3883 53.1914 35.0294 174.4503 29 R 4.7630 9.1403 125.9918 54.4995 33.1829 174.0480 30 V 4.7503 9.1075 126.8431 61.3379 33.1670 174.6320 31 E 4.7588 9.3851 127.1589 54.5034 33.0985 175.0219 32 G 4.4767 8.3852 107.1233 44.5350 0.0000 172.2951 33 A 4.6388 8.7373 122.0090 49.9983 22.3081 177.5179 34 E 3.8725 8.9674 121.5452 59.1125 29.9842 177.7082 35 T 4.6883 7.2768 106.0588 58.8984 73.3548 174.8098 36 V 3.5229 8.2818 120.1859 66.1948 31.4351 177.8909 37 S 4.0750 8.0647 114.3285 61.9898 62.7346 176.4639 38 D 4.3288 8.0204 120.8364 57.1996 40.5384 178.6404 39 A 4.0303 8.2865 121.6955 55.2236 18.2753 179.7507 40 L 3.5887 8.1732 117.6137 57.5244 41.6890 179.3974 41 A 3.9210 8.0035 120.8359 55.1547 17.7722 179.5022 42 F 4.1869 8.2754 119.0432 61.4567 39.4424 177.4452 43 L 4.1270 8.0454 118.6565 57.9138 41.2366 179.3463 44 E 4.3418 8.2093 117.5390 59.2124 29.4677 178.6341 45 A 4.1307 7.6003 118.6061 52.6749 18.3987 177.0747 46 D 4.5471 7.9470 115.8372 54.6146 40.2343 173.5733 47 N 4.3948 7.2487 113.6798 52.1647 39.0714 174.8657 48 T 4.6411 8.0682 112.1657 60.0424 71.2952 173.5732 49 V 4.6136 7.8946 114.6914 60.3904 35.6741 174.5531 50 D 4.8456 9.0882 120.0220 55.4198 43.2699 176.7428 51 L 4.8827 7.6453 118.9079 53.7321 45.9488 174.1951 52 I 4.9062 8.8628 126.8375 59.5676 40.1194 174.3809 53 L 4.8935 9.1359 128.0356 53.2169 43.4919 175.2109 54 L 4.8365 8.6389 127.6452 52.9980 43.8136 175.2234 55 D 4.9884 8.7099 126.9958 54.6329 41.8318 175.6566 56 V 4.1060 8.0356 116.2504 60.0641 35.8482 174.4208 *63 A 4.2794 8.7421 123.3370 52.5897 21.0760 179.1857 64 I 3.7923 7.5126 114.1472 63.7741 37.5731 178.0881 65 D 4.5068 8.2344 118.7119 57.2487 41.0236 178.4756 66 G 3.5679 7.9350 105.6923 47.6074 0.0000 175.0960 67 L 3.9516 7.7686 122.8507 57.8180 42.1270 178.9527 68 V 3.5662 8.1844 118.3781 66.2869 31.4073 177.8573 69 R 3.9814 8.5684 118.0160 59.6616 29.9843 179.1164 70 L 4.0942 8.1023 118.3444 57.5181 41.3206 179.7656 71 K 4.0537 7.8636 117.6587 59.2748 32.2862 179.0729 72 R 4.0856 7.9113 117.2143 59.2526 30.0739 178.5325 73 F 4.4130 8.1759 119.0931 60.0471 40.4096 175.4334 74 D 4.4651 8.2176 121.3030 51.7130 41.6330 173.4231 75 P 4.3003 0.0000 0.0000 64.4222 31.6320 177.7436 76 S 4.3496 8.1644 111.5692 59.3932 63.4822 173.7809 77 N 4.8525 8.0637 119.8580 52.1771 39.4518 175.0478 78 A 4.4198 8.1855 125.4111 52.0326 20.0985 176.6151 79 V 4.8053 9.7341 121.0329 61.1694 34.8528 174.0100 80 A 5.1728 8.9640 129.7159 49.9938 22.2639 174.8810 81 L 4.6070 8.7401 122.0385 54.3541 43.6831 176.0632 82 I 4.6741 8.7203 124.4327 59.5227 39.8430 174.5181 83 S 4.7650 8.5182 122.3103 55.9760 64.7952 175.0826 84 G 3.8538 9.1769 116.1505 47.3924 0.0000 173.3048 85 E 4.6858 7.7001 121.7431 55.9370 30.4358 175.6322 *88 H 4.9290 8.7004 112.0503 56.2066 32.0012 175.5016 89 E 3.9660 8.2554 119.1069 59.1469 29.4689 178.0372 90 L 3.9712 7.9532 119.8035 58.5069 42.0633 178.8147 91 I 3.3285 7.4226 118.8335 64.1163 37.0525 178.2348 92 R 3.8209 8.1294 119.2942 59.3858 29.9811 178.1877 93 A 3.9750 8.6537 120.6607 55.1749 18.3640 179.2548 94 A 3.9591 8.1044 119.0834 55.5622 18.4702 179.8030 95 L 3.9266 8.0035 117.4032 58.0118 41.4420 179.5307 96 E 3.9606 7.9757 117.9020 58.9729 29.6711 177.9907 97 A 4.3381 7.8568 117.5477 52.3847 18.3017 177.8913 98 G 3.7978 8.0140 105.8744 45.6588 0.0000 174.1841 99 A 4.1955 7.7698 121.7695 52.6388 18.8236 178.0637 100 D 4.8031 9.6627 120.3639 53.0841 41.4564 176.5869 101 G 4.5459 7.0543 110.7200 46.4426 0.0000 172.2166 102 F 5.0386 9.0727 123.9574 56.9202 42.1185 173.6724 103 I 4.7653 8.5410 128.6738 58.7332 39.4407 173.8799 104 P 4.7799 0.0000 0.0000 62.5068 31.8489 178.0450 105 K 3.9602 8.7870 123.7452 59.3614 32.0997 178.2749 106 S 4.4009 7.9962 110.3874 58.3032 63.5292 174.1867 107 A 4.1059 7.6173 125.0823 51.9517 18.7640 177.6283 108 D 4.3962 8.7687 120.4034 54.2743 42.9518 175.8956 109 P 4.1722 0.0000 0.0000 66.5433 30.8871 178.3552 110 Q 3.9475 8.2146 118.3963 58.6405 28.9811 177.9660 111 V 3.5240 7.7349 119.0313 65.7103 31.4582 177.5417 112 L 3.7637 7.5789 120.1472 58.1321 41.8980 178.8801 113 I 3.8527 7.5111 119.2952 65.0677 37.0696 178.2154 114 H 4.2935 8.2230 116.5195 58.4464 28.5090 177.7236 115 A 3.8849 8.2421 123.2288 55.0791 18.1276 179.7970 116 V 3.5001 8.1157 117.0944 66.1823 31.4416 178.2262 117 S 4.3139 8.4704 114.9556 61.9424 62.6844 176.8805 118 L 4.0895 8.0317 121.4344 57.8697 41.3621 179.7128 119 I 4.3913 7.8978 121.1893 63.9492 36.8278 178.5234 120 L 4.0770 7.8017 118.9079 57.3277 41.4753 178.3886 121 E 4.4194 7.6743 116.3393 56.2223 29.6389 177.3490 122 G 3.9002 8.1593 107.8080 45.1581 0.0000 173.2959 123 E 4.6036 8.2663 120.1841 55.1061 32.4039 174.5060 124 I 5.2330 8.1464 120.3885 59.0015 39.6949 175.2460 125 F 4.8653 8.8193 128.5810 56.7590 41.3292 174.2844 126 L 4.9718 7.0733 124.3986 52.0824 45.7965 174.6427 127 P 4.3348 0.0000 0.0000 61.9691 32.5420 177.1547 128 R 3.9088 9.0489 119.8358 60.6561 29.4323 178.6118 129 S 3.6776 7.1016 109.3908 61.2228 63.7772 173.6091 130 Y 4.1820 7.8203 125.9133 58.2871 38.3812 176.5793 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 L 8.18 4.54 0.00 1.66 1.67 1.00 0.65 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 2 T 9.24 4.44 4.19 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 0.00 0.00 0.00 1.11 0.00 0.00 3 V 9.72 4.81 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 0.84 0.00 0.00 0.95 0.00 0.00 4 V 8.62 4.74 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 0.86 0.00 0.00 0.77 0.00 0.00 5 L 9.08 4.94 0.00 1.81 1.54 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.76 4.60 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.49 0.93 0.00 0.00 7 V 8.86 4.53 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 0.84 0.00 0.00 0.90 0.00 0.00 8 D 8.57 4.80 0.00 2.68 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 9 D 8.76 4.52 0.00 2.55 2.36 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 0.00 10 H 8.34 4.80 0.00 3.31 3.17 0.00 5.90 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 11 H 8.96 4.07 0.00 3.22 3.34 0.00 5.87 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 12 L 7.85 4.02 0.00 1.70 1.65 0.92 0.77 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 13 I 7.62 3.64 2.15 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 1.60 1.01 0.92 0.00 0.00 14 R 8.13 3.86 0.00 1.98 1.96 0.00 3.07 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 15 A 8.44 4.04 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 16 G 8.24 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 17 A 7.97 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.22 3.84 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 19 N 8.38 4.30 0.00 2.75 2.85 0.00 0.00 6.72 7.25 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 20 L 7.92 3.90 0.00 1.85 1.80 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.14 4.22 0.00 1.78 1.66 0.84 1.19 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 22 E 8.28 4.19 0.00 2.05 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 2.50 2.48 0.00 23 G 8.12 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 24 A 7.64 4.34 1.14 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 25 F 7.79 4.81 0.00 3.01 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 26 S 9.06 4.32 0.00 4.00 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 27 G 8.03 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 28 M 8.21 5.28 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 29 R 9.14 4.76 0.00 1.85 1.72 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 30 V 9.11 4.75 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 0.88 0.00 0.00 31 E 9.39 4.76 0.00 1.82 1.65 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 2.22 2.23 0.00 32 G 8.39 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.64 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 34 E 8.97 3.87 0.00 2.13 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 2.26 2.24 0.00 35 T 7.28 4.69 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 1.17 0.00 0.00 36 V 8.28 3.52 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 1.12 0.00 0.00 0.91 0.00 0.00 37 S 8.06 4.08 0.00 3.87 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 38 D 8.02 4.33 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.03 1.36 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 0.00 0.00 0.00 40 L 8.17 3.59 0.00 1.64 1.33 0.83 0.57 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 41 A 8.00 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.28 4.19 0.00 3.09 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 43 L 8.05 4.13 0.00 1.71 1.94 1.03 0.95 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 44 E 8.21 4.34 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 45 A 7.60 4.13 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 46 D 7.95 4.55 0.00 2.79 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 47 N 7.25 4.39 0.00 1.56 1.68 0.00 0.00 6.70 7.42 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 48 T 8.07 4.64 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 49 V 7.89 4.61 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 0.92 0.00 0.00 0.99 0.00 0.00 50 D 9.09 4.85 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.88 0.00 1.68 1.39 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.86 4.91 1.88 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 1.26 0.65 0.91 0.00 0.00 53 L 9.14 4.89 0.00 1.49 1.54 0.86 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.64 4.84 0.00 1.71 1.49 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.71 4.99 0.00 2.85 2.65 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 56 V 8.04 4.11 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 0.71 0.00 0.00 0.90 0.00 0.00 *63 A 8.74 4.28 1.30 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 64 I 7.51 3.79 1.89 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 1.56 0.80 0.93 0.00 0.00 65 D 8.23 4.51 0.00 2.79 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 66 G 7.94 3.57 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 0.00 0.00 0.00 67 L 7.77 3.95 0.00 1.82 1.90 0.94 0.81 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 68 V 8.18 3.57 2.28 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 1.00 0.00 0.00 0.97 0.00 0.00 69 R 8.57 3.98 0.00 2.03 2.00 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 70 L 8.10 4.09 0.00 1.88 1.77 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.86 4.05 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.64 7.81 72 R 7.91 4.09 0.00 1.99 2.06 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 73 F 8.18 4.41 0.00 3.13 3.28 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 74 D 8.22 4.47 0.00 2.60 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 75 P 0.00 4.30 0.00 2.06 2.10 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 76 S 8.16 4.35 0.00 3.98 3.96 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 77 N 8.06 4.85 0.00 2.77 2.82 0.00 0.00 6.92 7.74 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 78 A 8.19 4.42 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.73 4.81 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 0.95 0.00 0.00 0.96 0.00 0.00 80 A 8.96 5.17 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 81 L 8.74 4.61 0.00 1.72 1.21 0.91 0.76 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 82 I 8.72 4.67 1.77 0.00 0.00 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 1.00 1.10 0.88 0.00 0.00 83 S 8.52 4.77 0.00 3.33 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.18 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 85 E 7.70 4.69 0.00 2.01 1.90 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 2.29 2.32 0.00 *88 H 8.70 4.93 0.00 3.22 3.31 0.00 5.73 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 89 E 8.26 3.97 0.00 2.16 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 2.45 0.00 90 L 7.95 3.97 0.00 1.82 1.64 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.42 3.33 1.23 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.21 -0.30 0.00 0.00 92 R 8.13 3.82 0.00 2.15 2.12 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 93 A 8.65 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.10 3.96 1.46 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 95 L 8.00 3.93 0.00 1.79 1.71 0.71 0.82 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 96 E 7.98 3.96 0.00 2.01 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 2.33 2.34 0.00 97 A 7.86 4.34 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 98 G 8.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.77 4.20 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 0.00 100 D 9.66 4.80 0.00 2.80 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 0.00 101 G 7.05 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.07 5.04 0.00 2.99 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 0.00 103 I 8.54 4.77 1.79 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 1.13 0.66 0.82 0.00 0.00 104 P 0.00 4.78 0.00 2.18 2.11 0.00 3.83 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 105 K 8.79 3.96 0.00 1.73 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.49 7.81 106 S 8.00 4.40 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.62 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.77 4.40 0.00 2.81 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 0.00 109 P 0.00 4.17 0.00 2.27 2.31 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 110 Q 8.21 3.95 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 111 V 7.73 3.52 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 0.70 0.00 0.00 0.96 0.00 0.00 112 L 7.58 3.76 0.00 1.67 1.78 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.51 3.85 1.87 0.00 0.00 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 1.59 0.43 0.57 0.00 0.00 114 H 8.22 4.29 0.00 3.15 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.24 3.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.12 3.50 2.23 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 0.64 0.00 0.00 0.88 0.00 0.00 117 S 8.47 4.31 0.00 4.16 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 0.00 118 L 8.03 4.09 0.00 1.97 1.81 1.09 0.94 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 0.00 119 I 7.90 4.39 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.93 0.00 0.00 120 L 7.80 4.08 0.00 1.81 1.73 0.70 0.92 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 0.00 121 E 7.67 4.42 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 122 G 8.16 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 0.00 123 E 8.27 4.60 0.00 2.05 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 2.30 2.46 0.00 124 I 8.15 5.23 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 1.24 1.67 0.91 0.00 0.00 125 F 8.82 4.87 0.00 3.21 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 0.00 126 L 7.07 4.97 0.00 1.28 1.28 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.33 0.00 2.29 2.37 0.00 3.55 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 128 R 9.05 3.91 0.00 1.81 2.04 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 129 S 7.10 3.68 0.00 3.95 3.81 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 0.00 130 Y 7.82 4.18 0.00 2.79 2.91 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 * Residues marked with a * may have inaccurate shift predictions.