NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4734 0.0000 0.0000 62.6604 32.5496 176.0249 3 N 4.9201 7.7084 111.8703 52.4441 42.5870 173.8246 4 T 5.1210 8.7572 117.9549 61.7519 72.0352 172.8935 5 I 4.6736 8.7548 126.2696 59.4816 40.9033 174.7612 6 R 5.0858 8.6269 123.1710 54.5314 33.5441 174.8422 7 L 5.0705 8.9849 122.9057 53.3710 46.1480 175.2915 8 H 5.3934 8.7689 117.7206 54.4609 32.7434 172.9672 9 R 4.7591 9.2450 120.5604 54.7616 35.1353 173.9104 10 V 4.7418 8.3955 121.4377 61.2567 33.3870 174.7188 11 L 4.8902 9.0722 127.7274 52.4161 44.4650 177.2400 12 S 4.7171 8.8115 119.1795 56.0486 61.8635 173.4955 13 A 4.6136 7.0877 121.5216 49.9523 22.7226 174.8034 14 P 4.4903 0.0000 0.0000 61.7990 32.4719 175.5969 15 P 4.2606 0.0000 0.0000 66.1434 31.2194 178.4594 16 E 3.9366 8.1752 117.3036 59.3910 29.4243 178.7517 17 R 3.9852 7.9896 118.3036 59.2848 29.9089 178.6862 18 V 3.6332 7.7578 117.0563 65.8249 32.0191 176.8282 19 Y 4.3739 8.4586 119.7001 61.0792 38.6729 178.5305 20 R 3.9589 8.2775 118.5136 59.1995 29.8946 178.9418 21 A 4.2433 7.6545 119.7438 54.8906 18.4179 178.9913 22 F 4.6081 8.0689 114.0895 58.9750 39.2643 176.2023 23 L 4.5053 7.5366 116.2200 54.7862 44.3300 176.0860 24 D 4.4246 8.5898 119.8988 53.0605 41.2841 174.8564 25 P 4.4074 0.0000 0.0000 66.1108 29.7937 178.3655 26 L 4.0182 8.5188 118.7143 57.2385 41.4934 179.2939 27 A 4.1861 7.9428 120.4110 55.1066 18.6350 179.3297 28 L 3.3215 8.3906 117.7033 57.9174 41.5027 179.7344 29 A 3.9966 7.6890 119.0533 54.6292 18.2408 179.1586 30 K 4.0988 7.2650 117.9164 58.5721 32.6276 178.1097 31 W 4.6582 7.8758 114.9303 57.6243 29.0067 177.4230 32 L 3.0902 6.6623 121.1608 56.7747 41.5807 175.4933 33 P 2.9700 0.0000 0.0000 61.4135 31.5789 174.3279 34 P 4.4016 0.0000 0.0000 61.5876 32.1776 174.9881 35 E 4.0330 8.4018 117.9318 58.5501 29.6348 178.2009 36 G 3.8830 9.1395 110.4631 45.3727 0.0000 172.2530 37 F 5.2789 7.9167 116.7901 55.5544 42.4237 174.8243 38 V 4.5477 8.6864 114.4203 59.8583 35.3913 174.0699 39 C 5.4960 8.4452 120.6756 57.9653 34.5204 172.6086 40 K 4.5829 8.8666 127.3237 54.6192 33.8959 175.1915 41 V 4.0423 8.3676 127.5500 61.9105 31.8076 175.3231 42 L 4.2687 8.8363 129.1929 56.8341 42.2446 177.1980 43 E 4.8318 7.7350 116.6983 54.1233 33.6138 175.9937 44 H 4.9999 7.9287 117.5532 54.7320 27.4410 175.4031 45 D 4.5606 8.8861 119.8273 53.9471 40.7820 175.8438 46 A 4.0866 7.9700 129.6758 50.2809 17.2721 176.9172 47 R 4.6699 7.3731 120.2547 53.1857 34.8956 175.3179 48 V 4.0679 8.3024 120.6475 64.6394 31.7234 176.4672 49 G 4.0417 9.5238 117.1671 44.8760 0.0000 173.5416 50 G 4.1708 8.7833 107.4094 45.1773 0.0000 172.8604 51 A 5.4862 8.5598 122.7809 50.2375 21.7122 175.4534 52 Y 5.1450 8.0992 117.4623 55.3970 41.8242 174.2552 53 K 4.5045 9.0272 120.8737 55.2045 36.6442 174.2681 *55 E 4.5386 8.6192 121.7787 56.3808 31.3921 174.2861 56 F 5.8997 9.4682 122.8495 56.3101 41.5519 174.7645 57 L 5.4677 9.0085 122.3134 52.6541 45.2231 175.7652 58 A 3.6439 8.8307 126.6960 51.7098 18.6437 177.8987 59 F 3.9080 8.9079 126.5042 61.6157 39.6075 176.7715 60 A 3.9901 8.1343 120.5370 55.2168 18.5714 178.6200 61 S 4.1013 7.8778 108.7716 60.2054 63.5808 175.4517 62 G 3.8613 8.1781 107.4407 44.1978 0.0000 172.8979 63 Q 4.0001 8.1350 122.4195 56.2210 29.7485 175.5264 64 K 4.8964 8.5722 127.5981 56.2512 34.2546 176.2507 65 H 4.8599 9.0925 122.3710 55.0385 32.2379 172.1752 66 A 5.0414 8.7416 125.9143 50.8699 20.9405 175.6151 67 F 5.1463 7.7863 114.1814 56.1878 41.6275 173.0584 68 G 3.1336 8.0588 106.3066 46.0898 0.0000 171.9693 69 G 4.0912 5.8513 104.2898 45.8216 0.0000 172.3336 70 R 5.1203 8.3325 117.6283 54.5517 35.0181 174.3383 71 Y 4.8797 8.8255 119.7802 58.0630 38.5951 176.2171 72 L 4.7689 9.4050 123.7701 55.5522 44.1097 176.9041 73 E 4.7664 8.1120 117.0128 54.9896 34.1901 175.0185 74 L 5.2249 8.6307 123.2607 53.4555 44.1870 174.1704 75 V 4.1469 9.2879 123.5721 59.9492 33.4800 172.6307 76 P 2.9700 0.0000 0.0000 63.4491 31.1507 176.7283 77 G 3.9051 7.3556 110.4496 45.8650 0.0000 173.0372 78 E 4.6730 8.3385 118.0396 56.3015 34.0280 175.7259 79 R 5.1741 7.6471 116.9352 55.4078 33.8675 173.8475 80 I 5.3168 8.8270 125.6967 59.8387 41.8948 174.1500 81 R 5.1126 9.1829 126.3604 54.9012 33.6362 173.2844 82 Y 5.4548 8.2110 122.8354 56.0523 41.9010 174.2082 83 T 4.7518 9.0679 111.7092 61.4560 71.3400 173.1662 84 D 5.1270 8.2530 120.8580 53.2818 44.4148 174.2612 85 R 4.6458 9.0775 125.9500 54.8191 33.8174 173.9093 86 F 5.1027 8.8087 124.4302 56.2724 40.4159 175.4337 87 D 4.7167 8.5751 121.6426 53.9629 40.5499 177.1837 88 D 4.4748 7.8840 117.9114 52.9188 43.9492 173.5870 89 A 4.3521 8.6054 130.2675 50.7899 19.9610 176.4519 *93 G 3.6620 8.3702 111.4286 45.4724 0.0000 171.8473 94 D 4.7793 8.2676 121.9517 52.2901 43.6913 174.8430 *96 I 4.1859 7.9170 119.2824 61.3494 38.6937 175.1209 97 T 5.0015 8.2899 117.2766 59.8079 71.9616 173.0970 98 T 4.8959 8.6675 114.1563 60.0064 71.9463 172.4600 99 I 4.7897 8.9967 127.5525 59.5579 39.5111 174.6883 100 T 5.0510 8.7740 117.0640 59.8191 71.3800 172.9487 101 L 5.8397 9.2662 123.8717 52.0089 45.9475 175.3525 102 A 4.8033 8.2578 122.2897 49.4934 22.8563 173.8262 103 P 4.8883 0.0000 0.0000 62.9265 32.6297 175.5957 104 L 4.8065 8.5839 119.9115 52.9358 45.9680 177.5632 105 S 4.1049 8.7618 115.4595 61.5207 62.4399 175.0841 106 C 4.4195 8.2758 113.1882 58.4371 31.8255 173.6990 107 G 4.2620 7.1468 113.7344 44.9617 0.0000 173.7750 108 A 5.1097 5.8000 121.4785 50.3216 24.2591 176.7410 109 D 5.0556 9.1228 120.7057 52.5294 43.3448 174.7997 110 L 5.1328 9.1723 128.5071 53.3784 44.7000 174.9909 111 S 5.0246 8.9971 122.1167 56.7001 66.3942 173.1213 112 I 4.9093 8.8030 124.9176 59.2619 40.8997 174.8280 113 V 4.6595 8.2931 125.1453 59.8516 34.6086 174.0714 114 Q 4.7628 9.1224 126.7782 54.4296 31.1196 174.0489 115 E 4.7083 8.4463 126.3502 54.5496 32.1122 176.5560 116 G 3.8609 8.7556 108.2793 46.1630 0.0000 173.8231 117 I 3.8025 7.7311 120.9463 60.1858 37.5821 174.5251 118 P 4.3351 0.0000 0.0000 62.9511 31.6665 177.2216 119 D 4.4342 8.7756 121.5992 57.0144 41.0269 177.8255 120 A 3.9958 8.0666 121.2880 54.0999 18.5690 176.9789 121 I 4.2336 7.4722 116.4074 58.3904 38.8370 173.6110 122 P 4.3374 0.0000 0.0000 62.4065 31.8951 175.4645 123 P 4.2981 0.0000 0.0000 65.7568 31.2701 178.4022 124 E 4.2003 8.4128 115.8484 59.9138 29.3010 178.8972 125 N 4.5279 8.2355 116.8367 55.8857 38.4790 177.2401 126 C 4.2404 8.3449 118.9114 62.7442 28.2263 175.5697 127 Y 4.2140 8.0091 117.9085 61.1585 37.6124 178.3378 128 L 4.2373 8.2230 120.0488 57.8517 41.7390 179.9371 129 G 3.5309 8.1458 105.4782 47.6472 0.0000 175.8932 130 W 4.2719 8.6113 121.9321 59.4951 29.0760 178.5988 131 Q 4.2276 8.8992 118.5740 59.2233 28.3044 179.0997 132 Q 4.0726 8.0914 118.4935 59.1208 28.7057 178.9448 133 S 4.4539 8.2230 116.2179 61.7730 62.9214 176.8320 134 L 4.0936 8.9010 122.0710 57.4738 41.2654 179.4906 135 K 4.0152 8.0730 119.4759 59.6398 31.9011 179.0043 136 Q 4.0921 8.1763 118.0365 58.5636 28.5545 178.3817 137 L 3.4732 8.1613 121.5554 57.9282 42.0504 178.8560 138 A 3.8826 7.9848 120.4503 55.1795 18.0784 179.4827 139 A 3.9482 7.6348 117.8899 54.8849 18.4394 179.2395 140 L 4.1186 7.3161 118.2634 57.7960 42.4388 178.7945 141 V 3.9024 7.6364 117.5303 63.9360 31.8604 177.8952 142 E 4.3299 8.0075 120.1452 57.2040 29.6159 175.9715 143 P 4.2678 0.0000 0.0000 63.3536 32.1449 175.8954 144 D 4.7038 8.6518 119.2491 55.0413 40.9803 173.8995 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 P 0.00 4.47 0.00 2.08 2.13 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 3 N 7.71 4.92 0.00 2.74 3.02 0.00 0.00 6.81 6.17 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 4 T 8.76 5.12 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 1.23 0.00 0.00 5 I 8.75 4.67 1.64 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 0.47 -0.25 0.38 0.00 0.00 6 R 8.63 5.09 0.00 1.76 1.85 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 7 L 8.98 5.07 0.00 1.33 1.50 0.32 0.97 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 8 H 8.77 5.39 0.00 2.92 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.25 4.76 0.00 1.68 1.77 0.00 3.28 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 10 V 8.40 4.74 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 0.81 0.00 0.00 0.94 0.00 0.00 11 L 9.07 4.89 0.00 1.55 1.49 0.91 0.73 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 12 S 8.81 4.72 0.00 3.99 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 13 A 7.09 4.61 1.21 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 14 P 0.00 4.49 0.00 2.24 2.19 0.00 3.73 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 2.08 1.99 0.00 15 P 0.00 4.26 0.00 2.17 2.26 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 16 E 8.18 3.94 0.00 2.06 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 2.39 2.48 0.00 17 R 7.99 3.99 0.00 1.96 2.06 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 18 V 7.76 3.63 2.30 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 1.04 0.00 0.00 1.01 0.00 0.00 19 Y 8.46 4.37 0.00 3.20 3.22 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 20 R 8.28 3.96 0.00 2.14 2.02 0.00 3.24 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 21 A 7.65 4.24 1.17 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 22 F 8.07 4.61 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.54 4.51 0.00 1.42 1.47 0.24 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.59 4.42 0.00 2.77 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 25 P 0.00 4.41 0.00 2.17 2.09 0.00 3.67 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 1.95 1.63 0.00 26 L 8.52 4.02 0.00 1.81 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.94 4.19 1.53 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 0.00 0.00 28 L 8.39 3.32 0.00 1.54 1.52 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.69 4.00 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 30 K 7.27 4.10 0.00 1.95 2.05 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 31 W 7.88 4.66 0.00 3.52 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 32 L 6.66 3.09 0.00 1.22 1.53 0.84 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 2.97 0.00 1.96 1.39 0.00 3.51 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 1.81 1.93 0.00 34 P 0.00 4.40 0.00 2.32 2.10 0.00 2.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 35 E 8.40 4.03 0.00 2.21 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 2.37 2.31 0.00 36 G 9.14 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 0.00 0.00 0.00 37 F 7.92 5.28 0.00 2.91 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 38 V 8.69 4.55 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 0.72 0.00 0.00 1.16 0.00 0.00 39 C 8.45 5.50 0.00 3.10 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 40 K 8.87 4.58 0.00 1.84 1.78 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 41 V 8.37 4.04 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 0.89 0.00 0.00 0.90 0.00 0.00 42 L 8.84 4.27 0.00 1.69 1.64 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.74 4.83 0.00 1.83 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 2.23 2.22 0.00 44 H 7.93 5.00 0.00 3.12 3.33 0.00 5.72 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.89 4.56 0.00 2.82 2.92 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 46 A 7.97 4.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.37 4.67 0.00 1.86 1.79 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 48 V 8.30 4.07 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 0.90 0.00 0.00 1.00 0.00 0.00 49 G 9.52 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 50 G 8.78 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 51 A 8.56 5.49 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 52 Y 8.10 5.15 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.03 4.50 0.00 1.53 1.44 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.03 1.19 7.81 *55 E 8.62 4.54 0.00 2.18 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 0.00 2.40 2.43 0.00 56 F 9.47 5.90 0.00 3.07 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 57 L 9.01 5.47 0.00 1.76 1.62 1.05 0.70 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 58 A 8.83 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.91 3.91 0.00 2.94 3.06 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 60 A 8.13 3.99 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 61 S 7.88 4.10 0.00 3.94 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 62 G 8.18 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 63 Q 8.14 4.00 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 64 K 8.57 4.90 0.00 1.82 1.68 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.53 7.81 65 H 9.09 4.86 0.00 3.48 3.36 0.00 5.66 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 66 A 8.74 5.04 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 67 F 7.79 5.15 0.00 2.76 2.42 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 68 G 8.06 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 5.85 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 0.00 0.00 0.00 0.00 70 R 8.33 5.12 0.00 1.69 1.88 0.00 3.10 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 71 Y 8.83 4.88 0.00 3.22 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.40 4.77 0.00 1.53 1.75 0.94 1.01 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 73 E 8.11 4.77 0.00 1.92 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 2.33 2.38 0.00 74 L 8.63 5.22 0.00 1.54 1.71 0.81 0.77 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 75 V 9.29 4.15 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 0.98 0.00 0.00 0.93 0.00 0.00 76 P 0.00 2.97 0.00 1.82 1.72 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 77 G 7.36 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 78 E 8.34 4.67 0.00 1.89 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 2.16 1.98 0.00 79 R 7.65 5.17 0.00 1.89 1.71 0.00 3.28 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 80 I 8.83 5.32 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 1.19 0.00 0.00 81 R 9.18 5.11 0.00 1.84 1.74 0.00 3.22 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 82 Y 8.21 5.45 0.00 3.00 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 83 T 9.07 4.75 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 1.24 0.00 0.00 84 D 8.25 5.13 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.08 4.65 0.00 2.09 1.62 0.00 3.14 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 86 F 8.81 5.10 0.00 3.01 2.90 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 87 D 8.58 4.72 0.00 2.76 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 88 D 7.88 4.47 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.61 4.35 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 G 8.37 3.66 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 0.00 0.00 0.00 94 D 8.27 4.78 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 I 7.92 4.19 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.83 0.00 0.00 97 T 8.29 5.00 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 1.14 0.00 0.00 98 T 8.67 4.90 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 1.11 0.00 0.00 99 I 9.00 4.79 1.54 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 0.22 0.17 0.33 0.00 0.00 100 T 8.77 5.05 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 1.15 0.00 0.00 101 L 9.27 5.84 0.00 1.67 1.55 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.26 4.80 1.17 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 0.00 103 P 0.00 4.89 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 104 L 8.58 4.81 0.00 1.68 1.52 0.94 0.88 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 0.00 105 S 8.76 4.10 0.00 3.82 3.89 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 0.00 106 C 8.28 4.42 0.00 3.14 3.15 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 0.00 107 G 7.15 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 0.00 0.00 0.00 0.00 108 A 5.80 5.11 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 0.00 109 D 9.12 5.06 0.00 2.71 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 0.00 110 L 9.17 5.13 0.00 1.74 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.00 5.02 0.00 3.66 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 0.00 112 I 8.80 4.91 1.43 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.46 0.30 0.00 0.00 113 V 8.29 4.66 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 0.77 0.00 0.00 0.86 0.00 0.00 114 Q 9.12 4.76 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 115 E 8.45 4.71 0.00 1.82 1.81 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 2.22 2.03 0.00 116 G 8.76 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 0.00 117 I 7.73 3.80 1.98 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 1.31 0.49 0.95 0.00 0.00 118 P 0.00 4.34 0.00 2.21 2.02 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 119 D 8.78 4.43 0.00 2.67 2.75 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 0.00 120 A 8.07 4.00 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 0.00 121 I 7.47 4.23 1.83 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 1.31 0.92 0.98 0.00 0.00 122 P 0.00 4.34 0.00 2.45 2.01 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 123 P 0.00 4.30 0.00 2.27 2.18 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 124 E 8.41 4.20 0.00 2.28 2.32 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 2.43 2.48 0.00 125 N 8.24 4.53 0.00 3.07 2.93 0.00 0.00 6.99 7.67 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 0.00 126 C 8.34 4.24 0.00 3.13 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 0.00 127 Y 8.01 4.21 0.00 3.28 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 0.00 128 L 8.22 4.24 0.00 1.96 1.79 0.98 1.00 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 0.00 129 G 8.15 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 0.00 0.00 0.00 0.00 130 W 8.61 4.27 0.00 3.68 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 0.00 131 Q 8.90 4.23 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 132 Q 8.09 4.07 0.00 2.29 2.18 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 2.42 2.55 0.00 133 S 8.22 4.45 0.00 4.19 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 0.00 134 L 8.90 4.09 0.00 1.80 1.82 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.07 4.02 0.00 1.95 2.06 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 136 Q 8.18 4.09 0.00 2.65 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 137 L 8.16 3.47 0.00 0.79 1.53 -0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.98 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.63 3.95 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 0.00 140 L 7.32 4.12 0.00 1.64 1.78 0.94 1.00 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 0.00 141 V 7.64 3.90 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 0.79 0.00 0.00 0.93 0.00 0.00 142 E 8.01 4.33 0.00 2.06 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 2.51 2.28 0.00 143 P 0.00 4.27 0.00 2.03 1.98 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 144 D 8.65 4.70 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.