NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5752 8.3649 120.1898 54.4648 43.3562 176.7402 5 I 3.4339 7.7113 119.2426 63.0205 37.3198 175.6943 6 F 5.0003 7.8472 117.1729 55.7399 43.1457 175.1348 7 E 4.2737 8.6159 118.3745 55.4045 30.3160 178.2621 8 R 4.1885 8.2489 118.2832 56.9941 31.5240 177.9477 9 G 4.1726 8.2714 113.6594 46.1724 0.0000 173.8913 10 S 5.1419 8.9951 120.6671 56.0978 66.2859 173.4035 11 K 3.7709 8.7363 123.6622 56.3646 32.3388 176.8486 12 G 3.5425 8.2771 115.5137 45.4659 0.0000 173.5498 13 S 4.2640 8.8244 117.5487 57.7403 62.9887 175.4667 14 S 4.4462 8.3090 120.8759 60.2660 62.9256 175.2303 15 D 4.0540 7.3287 120.5381 56.2404 40.5437 176.6758 16 F 4.1674 7.2225 115.0270 56.3013 41.2001 174.8978 17 F 5.3519 7.4968 116.7441 55.8968 43.5793 173.4795 18 T 4.4056 9.4372 119.0081 63.1528 70.5899 176.1033 19 G 3.9988 8.7132 114.7380 44.5120 0.0000 171.3387 20 N 4.3892 8.2701 115.8302 52.2982 39.8888 174.9070 21 V 4.3776 7.4436 122.9703 60.5482 35.3876 173.7380 22 W 5.1043 8.6819 127.2163 54.8469 31.6782 174.8024 23 V 4.6413 8.9670 125.0428 61.1007 33.7210 173.8803 24 K 4.5529 8.8176 130.6935 55.6790 35.2041 176.1432 *26 L 4.0631 8.6799 115.4038 54.1816 43.5433 176.9876 27 V 4.2686 7.9515 119.8536 61.2084 32.9735 175.6856 28 T 4.0092 8.6617 117.9732 61.7968 69.9498 174.0640 29 D 4.4782 8.4103 123.4943 55.4930 39.5636 175.3287 30 E 4.0370 8.4176 114.9744 58.8656 28.8336 179.6529 31 N 4.6228 8.2628 113.6948 52.9504 39.1160 176.3737 32 G 3.8965 8.2222 106.4769 45.8922 0.0000 175.0828 33 V 3.5007 7.2881 118.9828 65.1776 31.4484 177.1175 34 F 4.5128 8.8862 116.6822 56.8677 39.8182 175.2457 35 N 4.3106 8.4445 118.4161 54.0657 37.8340 173.0330 36 T 5.2870 8.1269 110.0348 61.9882 72.7558 173.3954 37 Q 4.9941 8.9381 124.0343 54.1918 32.8239 174.7386 38 V 4.9364 8.8233 121.0680 61.4797 35.2647 173.7986 39 Y 5.2924 8.6304 124.5085 55.3573 42.1214 173.2357 40 D 5.4282 9.2950 120.2834 52.4223 44.4884 175.0106 41 V 4.9589 8.9019 124.2884 59.8808 35.1967 174.3168 42 V 4.8968 8.6551 123.2479 61.2675 34.2933 173.9210 43 F 5.0322 9.5337 127.3507 55.6871 40.8837 175.6801 44 E 4.6284 8.9245 123.6314 55.2230 30.9251 174.8823 45 P 4.7063 0.0000 0.0000 64.8785 31.7068 176.9318 46 G 3.9423 9.1540 111.5144 44.5645 0.0000 173.6672 47 A 4.6411 8.1912 122.2421 52.1124 19.9622 176.6979 48 R 5.1110 8.9197 115.6262 55.2401 33.1547 174.6293 49 T 4.7317 9.1400 111.4985 61.9683 69.7340 173.7337 50 H 4.6391 9.0203 120.7171 55.2878 30.0715 175.4188 51 W 4.8242 9.0674 120.4923 57.7139 30.0646 175.5183 52 H 5.1098 9.0853 118.7795 55.0424 31.9697 172.0025 53 S 4.9698 8.6132 112.1462 57.1822 67.0486 172.5122 54 H 5.0730 8.5043 116.4526 53.3558 31.4404 173.4053 55 P 4.8561 0.0000 0.0000 64.7673 31.5126 177.1063 56 G 4.3827 7.2585 103.5387 44.2287 0.0000 174.1947 57 G 3.9627 8.5956 108.3494 46.1733 0.0000 172.5320 58 Q 5.3551 8.9329 121.5447 53.9067 32.2965 174.6836 59 I 4.6385 8.6395 122.3960 59.5618 40.7216 174.3792 60 L 5.0957 8.7784 127.0929 52.9167 44.6844 175.6590 61 I 4.7571 8.6321 123.5836 59.4288 40.4764 174.7873 62 V 4.4365 8.7323 129.0222 62.8192 31.8841 176.3947 63 T 4.6465 8.8020 118.0711 62.5517 70.6940 174.4837 64 R 4.3873 8.0983 120.2915 56.5508 33.2457 175.4052 65 G 4.2666 9.5801 109.6526 44.2030 0.0000 171.6570 66 K 4.7551 8.5633 120.0066 55.3036 36.3991 177.2171 67 G 4.3815 8.2297 111.7803 46.0136 0.0000 171.5237 68 F 5.2136 9.1356 117.2846 55.7474 43.6923 173.6712 69 Y 4.8496 8.6454 122.6428 55.7580 41.9820 174.0379 70 Q 4.2083 7.4676 126.4991 54.3007 32.9012 173.3829 71 E 4.8926 8.2850 125.1642 54.7222 31.8603 175.7284 72 R 4.1592 8.8595 124.3566 57.7219 30.4990 177.2688 73 G 3.9802 8.9969 112.3722 45.4967 0.0000 173.0123 74 K 4.7251 7.7665 117.8918 53.3441 35.3067 174.3996 75 P 4.3689 0.0000 0.0000 62.3824 31.8913 176.5420 76 A 4.2737 8.4309 123.3806 52.1636 19.5289 176.5197 77 R 4.6013 9.0740 120.7242 54.5761 32.5335 175.2249 78 I 4.0318 8.2907 127.0057 60.7401 38.2847 175.0465 79 L 5.0311 8.5654 126.9322 52.9261 44.6121 175.6725 80 K 5.0366 9.3709 121.0933 53.9286 36.9682 175.2336 81 K 4.0591 8.6346 120.8279 58.5678 32.1645 175.8710 82 G 4.0642 9.1353 114.6592 45.3684 0.0000 173.7526 83 D 4.5087 8.0475 119.6248 54.3213 42.1210 175.7219 84 V 4.6595 8.2163 121.4509 61.1037 34.0710 174.5297 85 V 4.0729 8.5476 128.4141 61.1303 33.5099 174.0941 86 E 4.6659 8.5998 128.0857 55.2269 30.5456 175.8730 87 I 4.2334 8.8590 128.0112 58.9649 38.5503 174.1960 88 P 4.6673 0.0000 0.0000 61.3020 32.7999 174.4736 89 P 4.3388 0.0000 0.0000 64.8068 31.8494 176.6867 90 N 4.3935 9.6992 119.0049 53.2935 37.1449 173.9720 91 V 4.1128 7.4115 119.1575 62.6646 32.3570 175.5696 92 V 4.4362 8.4823 128.2864 62.8029 32.9629 174.3038 93 H 5.6749 9.2182 122.4381 54.7389 32.4959 171.9844 94 W 5.6873 8.6549 115.4568 55.2408 31.9139 173.5421 95 H 5.1249 9.0147 114.8325 54.1275 32.2431 172.8334 96 G 2.9880 7.8413 106.4071 45.2834 0.0000 172.3043 97 A 4.6953 8.4566 122.6790 51.4164 19.1845 177.3907 98 A 4.8401 8.5942 122.8132 51.3420 19.1095 177.5274 99 P 4.5736 0.0000 0.0000 64.8031 31.4629 177.3487 100 D 4.9497 7.9691 114.7272 52.9961 40.7758 175.3736 101 E 4.9221 7.6859 119.9019 54.9991 33.1400 174.2064 102 E 4.6089 8.9234 124.0174 56.3083 31.8610 174.9368 103 L 5.2936 9.0730 121.9593 53.3550 45.5483 175.1367 104 V 5.2365 8.9285 125.7916 61.4564 34.4402 173.8525 105 H 5.4119 9.0742 121.9102 54.3104 32.3976 172.7033 106 I 4.3483 8.9905 121.5690 61.0760 38.6080 175.2329 107 G 3.6074 8.4952 112.4117 44.0708 0.0000 171.6188 108 I 4.8718 8.5929 124.1824 59.3792 40.7653 174.6432 109 S 5.1027 9.3353 124.5292 56.8027 64.3906 174.0810 110 T 4.6110 8.7067 115.6023 59.8556 71.5972 174.2706 111 Q 3.8722 8.4447 118.2394 57.0347 26.4870 175.8776 112 V 3.6897 8.1252 119.3590 66.1661 32.1966 177.5023 113 H 4.2638 8.9279 114.9864 58.2044 28.3053 176.6450 114 L 3.7930 7.4953 119.5812 56.1223 41.4815 176.2404 115 G 4.1711 7.2269 103.7328 42.1925 0.0000 171.1844 116 P 4.5934 0.0000 0.0000 61.1029 32.6421 175.5442 117 A 3.9699 8.2965 120.2169 52.2879 19.1117 176.8260 118 E 4.5040 8.8422 121.3389 54.5184 31.6016 175.1295 119 W 4.9204 8.8303 124.8743 55.4262 31.0061 173.8649 120 L 4.6942 9.4868 122.2627 55.0360 43.3419 180.5105 121 G 4.0229 9.3671 116.0881 46.4745 0.0000 172.8581 122 S 4.4255 8.4103 116.1718 58.1482 63.8451 174.6803 123 V 3.8754 7.9194 122.6191 62.2163 31.3937 176.8329 124 T 4.1366 8.6061 118.6569 61.2940 70.6997 175.0005 125 E 3.9925 8.8277 123.5990 60.3391 29.3135 180.3267 126 E 3.9869 8.0633 117.6059 61.1948 29.9016 181.0245 127 E 4.2059 8.2109 120.0730 59.3241 29.0182 178.9778 128 Y 3.6730 8.2006 119.8391 60.5351 38.7964 177.9398 129 R 3.7465 8.3213 120.0269 59.2104 29.9703 178.3042 130 K 3.8218 8.0514 118.2608 59.5940 32.2956 178.3755 131 A 4.1206 8.0727 120.1509 54.3893 18.6734 178.1214 132 T 3.5023 7.2569 108.3410 62.3277 70.6329 175.0753 133 E 4.0440 8.3804 119.1863 57.2402 29.7429 180.9837 134 G 4.0371 8.9470 111.8502 45.3409 0.0000 173.5192 135 K 4.2452 7.9515 124.1586 56.2056 32.5335 176.1185 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 4 D 8.36 4.58 0.00 2.64 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 5 I 7.71 3.43 1.47 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 -0.32 0.00 0.00 6 F 7.85 5.00 0.00 2.99 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 7 E 8.62 4.27 0.00 1.99 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 2.23 1.90 0.00 8 R 8.25 4.19 0.00 1.47 1.46 0.00 2.64 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 9 G 8.27 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 0.00 0.00 0.00 0.00 10 S 9.00 5.14 0.00 3.79 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 11 K 8.74 3.77 0.00 1.50 1.53 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.27 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.06 1.05 7.81 12 G 8.28 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 13 S 8.82 4.26 0.00 3.83 3.68 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 14 S 8.31 4.45 0.00 3.91 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 15 D 7.33 4.05 0.00 1.58 1.54 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 16 F 7.22 4.17 0.00 1.68 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 17 F 7.50 5.35 0.00 2.91 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 18 T 9.44 4.41 4.16 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 1.09 0.00 0.00 19 G 8.71 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 0.00 0.00 0.00 20 N 8.27 4.39 0.00 2.72 2.45 0.00 0.00 6.23 7.68 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 21 V 7.44 4.38 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 0.00 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 22 W 8.68 5.10 0.00 3.24 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 23 V 8.97 4.64 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 0.98 0.00 0.00 0.66 0.00 0.00 24 K 8.82 4.55 0.00 1.79 1.48 0.00 1.90 0.00 0.00 1.36 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.35 7.81 *26 L 8.68 4.06 0.00 1.70 1.63 0.32 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.95 4.27 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 1.04 0.00 0.00 0.79 0.00 0.00 28 T 8.66 4.01 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 1.24 0.00 0.00 29 D 8.41 4.48 0.00 3.18 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.42 4.04 0.00 2.03 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 1.92 0.00 31 N 8.26 4.62 0.00 2.75 2.85 0.00 0.00 7.11 8.66 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 32 G 8.22 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 33 V 7.29 3.50 1.66 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 -0.03 0.00 0.00 0.78 0.00 0.00 34 F 8.89 4.51 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.44 4.31 0.00 2.95 2.84 0.00 0.00 6.79 7.27 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 36 T 8.13 5.29 4.31 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 1.27 0.00 0.00 37 Q 8.94 4.99 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 38 V 8.82 4.94 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 0.94 0.00 0.00 0.85 0.00 0.00 39 Y 8.63 5.29 0.00 3.01 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 40 D 9.29 5.43 0.00 2.17 2.24 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 41 V 8.90 4.96 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 0.75 0.00 0.00 0.26 0.00 0.00 42 V 8.66 4.90 2.29 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 1.22 0.00 0.00 1.00 0.00 0.00 43 F 9.53 5.03 0.00 3.13 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 44 E 8.92 4.63 0.00 2.04 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 2.53 2.59 0.00 45 P 0.00 4.71 0.00 2.11 2.31 0.00 3.79 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 2.11 2.18 0.00 46 G 9.15 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 0.00 0.00 0.00 47 A 8.19 4.64 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 48 R 8.92 5.11 0.00 2.08 2.06 0.00 2.21 0.00 0.00 2.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 49 T 9.14 4.73 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 1.67 0.00 0.00 50 H 9.02 4.64 0.00 3.46 3.74 0.00 5.68 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 51 W 9.07 4.82 0.00 3.45 3.12 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 0.00 0.00 0.00 52 H 9.09 5.11 0.00 2.20 2.50 0.00 5.22 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.61 4.97 0.00 3.77 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.50 5.07 0.00 3.15 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.86 0.00 2.03 2.11 0.00 3.88 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 56 G 7.26 4.38 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 0.00 57 G 8.60 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 0.00 0.00 0.00 58 Q 8.93 5.36 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 59 I 8.64 4.64 1.80 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 1.16 0.78 0.83 0.00 0.00 60 L 8.78 5.10 0.00 1.33 1.29 0.52 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.63 4.76 1.86 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 1.07 0.75 0.90 0.00 0.00 62 V 8.73 4.44 2.21 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 0.98 0.00 0.00 0.90 0.00 0.00 63 T 8.80 4.65 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 1.27 0.00 0.00 64 R 8.10 4.39 0.00 1.91 1.81 0.00 3.21 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 65 G 9.58 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 0.00 0.00 0.00 0.00 66 K 8.56 4.76 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.25 7.81 67 G 8.23 4.38 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 0.00 68 F 9.14 5.21 0.00 2.91 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 69 Y 8.65 4.85 0.00 2.86 2.62 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 70 Q 7.47 4.21 0.00 1.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 71 E 8.28 4.89 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.93 0.00 72 R 8.86 4.16 0.00 1.66 1.66 0.00 2.96 0.00 0.00 2.65 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 73 G 9.00 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 0.00 0.00 0.00 74 K 7.77 4.73 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 75 P 0.00 4.37 0.00 2.06 2.01 0.00 3.69 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 2.04 2.10 0.00 76 A 8.43 4.27 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 77 R 9.07 4.60 0.00 1.90 2.00 0.00 3.13 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 78 I 8.29 4.03 1.74 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 1.07 0.63 0.61 0.00 0.00 79 L 8.57 5.03 0.00 1.40 1.45 0.86 0.33 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 80 K 9.37 5.04 0.00 1.78 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.09 7.81 81 K 8.63 4.06 0.00 1.74 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.52 7.81 82 G 9.14 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 83 D 8.05 4.51 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.22 4.66 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 0.71 0.00 0.00 0.89 0.00 0.00 85 V 8.55 4.07 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.67 0.00 0.00 86 E 8.60 4.67 0.00 1.81 1.83 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 2.18 2.25 0.00 87 I 8.86 4.23 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.36 0.76 0.00 0.00 88 P 0.00 4.67 0.00 2.09 1.97 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 89 P 0.00 4.34 0.00 2.04 2.25 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 90 N 9.70 4.39 0.00 2.89 2.98 0.00 0.00 6.29 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 91 V 7.41 4.11 2.26 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 0.78 0.00 0.00 1.00 0.00 0.00 92 V 8.48 4.44 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 1.10 0.00 0.00 0.92 0.00 0.00 93 H 9.22 5.67 0.00 3.16 3.40 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.65 5.69 0.00 3.19 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 95 H 9.01 5.12 0.00 3.28 3.51 0.00 5.56 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 96 G 7.84 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 0.00 0.00 0.00 97 A 8.46 4.70 1.61 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 98 A 8.59 4.84 1.61 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 99 P 0.00 4.57 0.00 2.17 2.31 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 100 D 7.97 4.95 0.00 2.81 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 0.00 101 E 7.69 4.92 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 102 E 8.92 4.61 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 103 L 9.07 5.29 0.00 2.11 1.77 0.99 0.83 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 0.00 104 V 8.93 5.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.03 0.00 0.00 105 H 9.07 5.41 0.00 3.38 3.43 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.99 4.35 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.84 0.00 0.00 107 G 8.50 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 0.00 108 I 8.59 4.87 1.80 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 1.12 0.70 0.87 0.00 0.00 109 S 9.34 5.10 0.00 3.85 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 0.00 110 T 8.71 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 111 Q 8.44 3.87 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 112 V 8.13 3.69 2.26 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 1.04 0.00 0.00 1.05 0.00 0.00 113 H 8.93 4.26 0.00 3.30 3.57 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.50 3.79 0.00 1.75 1.72 0.91 0.83 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 0.00 115 G 7.23 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 0.00 0.00 0.00 0.00 116 P 0.00 4.59 0.00 2.22 2.11 0.00 3.79 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 1.99 1.98 0.00 117 A 8.30 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.84 4.50 0.00 1.78 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 2.20 2.18 0.00 119 W 8.83 4.92 0.00 3.38 3.42 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 0.00 120 L 9.49 4.69 0.00 1.73 0.98 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.37 4.02 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 0.00 0.00 0.00 122 S 8.41 4.43 0.00 3.68 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 0.00 123 V 7.92 3.88 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 -0.19 0.00 0.00 -0.42 0.00 0.00 124 T 8.61 4.14 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 1.24 0.00 0.00 125 E 8.83 3.99 0.00 1.98 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 0.00 2.35 2.30 0.00 126 E 8.06 3.99 0.00 1.97 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 1.97 0.00 127 E 8.21 4.21 0.00 2.16 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 2.50 2.42 0.00 128 Y 8.20 3.67 0.00 2.73 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 0.00 129 R 8.32 3.75 0.00 1.96 1.90 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 130 K 8.05 3.82 0.00 2.17 1.99 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.33 7.81 131 A 8.07 4.12 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 0.00 132 T 7.26 3.50 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 133 E 8.38 4.04 0.00 1.97 1.82 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 2.27 2.15 0.00 134 G 8.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.95 4.25 0.00 2.11 1.87 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.