NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2223 8.1749 115.2311 61.8574 67.3332 172.9443 3 I 3.3761 7.6781 128.6193 58.0351 38.1365 175.5419 4 F 4.4491 7.5387 120.0608 56.9880 39.4721 174.6018 5 E 4.2725 8.6396 123.2270 58.4803 30.2383 176.5996 6 K 4.1021 7.7618 119.2400 55.8122 32.9511 176.5416 7 K 4.1780 8.4574 127.4145 55.3018 32.9113 174.7378 8 P 4.0771 0.0000 0.0000 62.6157 31.8122 175.0579 9 D 4.6453 8.0891 121.2317 53.0105 42.5403 176.5816 10 F 4.8767 8.4530 123.2205 57.5290 39.8302 177.6324 11 T 3.9351 8.3741 117.1109 66.9734 68.3286 175.6051 12 L 3.8953 7.8998 121.0444 58.2327 42.1852 178.6021 13 F 4.1957 8.3188 120.0600 61.4371 39.3934 176.9368 14 L 3.7803 8.4835 118.8215 57.5138 41.1806 179.4831 15 Q 3.9977 7.9062 118.6095 58.9510 28.6149 178.7898 16 T 3.7796 7.6708 110.8424 64.4418 69.0672 176.5658 17 L 3.7138 7.6934 123.9316 57.7850 42.0779 179.2019 18 S 3.2992 7.5937 114.0646 60.6823 62.5770 176.5160 19 W 3.8536 7.8177 122.5273 59.5142 28.8685 178.0920 20 E 3.9702 8.2582 119.1751 59.2425 29.0710 178.8995 21 I 3.7469 7.9201 119.8050 64.6499 37.0458 178.0247 22 D 4.5613 7.7884 117.7669 57.6259 40.6992 178.2304 23 D 4.4159 8.1940 117.7263 57.1936 41.2731 177.7538 24 Q 4.3051 7.9416 117.4538 56.5634 29.3137 176.1516 25 V 4.5042 7.7699 111.1271 59.0857 35.7447 175.2861 26 G 3.9516 8.2815 110.5395 44.4476 0.0000 174.7222 27 I 3.6237 8.4431 119.4188 64.6183 36.8161 178.1804 28 E 3.8605 8.0032 119.1685 59.3967 29.6884 178.8849 29 V 3.5968 7.6808 117.8490 65.8125 31.5565 177.7576 30 R 3.8564 7.9340 118.4395 59.5389 29.8733 178.3269 31 N 4.1583 8.1929 116.3207 56.1866 38.2604 177.0141 32 E 3.9030 8.0500 120.1946 58.5355 29.7154 178.6181 33 L 3.9313 7.7395 120.8490 58.1964 42.2285 178.9865 34 L 3.9260 8.0887 119.2652 57.6749 41.4563 179.7080 35 R 4.0515 8.1841 118.3720 58.9613 29.8976 178.5459 36 E 3.9576 7.8930 119.1198 58.6328 29.3841 178.9322 37 V 3.5874 7.4769 117.5271 65.8305 31.7116 177.5804 38 G 3.8470 7.6788 104.0247 48.3624 0.0000 175.2286 39 R 4.0996 7.8522 119.9726 58.3488 29.8741 179.8909 40 G 3.8044 8.0741 104.9992 44.8470 0.0000 175.4944 *42 G 3.7865 8.1472 111.1321 44.8959 0.0000 174.5022 43 T 4.3792 7.4346 107.0149 61.8611 69.3050 175.3889 44 R 4.5397 7.8951 120.3680 56.2125 32.6586 175.7655 45 I 4.5669 7.4360 109.1369 58.0810 40.4954 172.7953 *47 P 3.9272 0.0000 0.0000 61.5695 32.0418 174.2864 48 P 4.3813 0.0000 0.0000 61.4650 32.0202 174.0525 49 P 4.5993 0.0000 0.0000 62.7977 31.0021 175.6469 50 C 4.5741 8.8777 121.8694 58.6429 29.4095 174.2135 51 Q 4.3661 8.4832 120.5305 56.9983 29.3831 176.0938 52 T 4.7606 7.3357 107.6021 58.8205 73.3981 174.7737 53 V 3.5650 8.2025 120.3164 66.1325 31.7155 177.4609 54 D 4.3221 8.0400 117.3039 57.4020 41.2279 178.2471 55 K 3.9920 8.1428 118.9676 59.2890 31.9083 179.1556 56 L 3.9096 7.9635 120.7590 57.8857 42.0143 178.5904 57 Q 3.9592 8.4594 120.0330 59.4500 28.8615 178.5600 58 I 3.7024 7.5714 120.1482 64.5312 37.0757 178.3526 59 E 3.8923 8.0511 119.1324 59.2125 29.1509 179.4937 60 L 3.4937 8.0658 119.3101 57.7708 41.7386 179.2025 61 N 4.3638 8.3031 116.1091 56.2539 38.1532 177.3403 62 A 4.0134 7.5331 121.7731 54.7919 18.7527 179.3655 63 L 4.0271 7.5477 117.1431 58.1245 41.7133 179.7735 64 L 4.1732 8.3535 118.9105 57.8702 41.4010 179.5649 65 A 4.0898 8.2270 120.8010 54.9365 18.0334 179.5858 66 L 3.9568 7.6389 116.8488 57.4070 41.7562 178.1608 67 I 4.2912 7.8305 108.2942 59.6931 38.3602 175.1031 68 G 4.0148 7.6689 108.9873 47.3435 0.0000 174.4165 69 W 4.6345 8.5533 115.5882 56.1272 30.1525 176.2679 70 G 4.0073 8.5162 103.9609 44.0309 0.0000 173.0439 71 T 5.1494 8.4204 108.8975 60.0548 72.7375 173.5732 72 V 5.1200 9.4894 121.7500 60.2372 34.7957 174.7692 73 T 4.8598 8.7344 112.4807 59.9440 71.7497 172.5897 74 L 5.1937 9.3214 124.0531 53.0194 44.7748 175.7990 75 E 4.5161 8.8968 123.2916 54.3488 32.8900 173.9479 76 L 4.4711 8.6978 129.9314 54.9011 43.1975 175.6335 77 L 4.7544 9.3056 127.1507 53.1431 43.2815 177.7310 78 S 4.2973 8.8758 119.5662 61.0885 63.7337 175.5433 79 E 4.0826 8.1264 119.4848 58.8323 29.5148 176.9773 80 D 4.6304 7.8436 117.1633 53.9524 42.2823 176.3771 81 Q 4.5402 8.2133 119.2775 54.8259 27.9091 174.3759 82 S 4.7693 7.9035 111.5711 57.7166 67.5402 174.2707 83 L 5.0155 8.3640 122.1045 53.1303 44.4521 175.1069 84 R 3.8688 9.1860 128.4028 56.0652 31.3287 175.0204 85 I 4.5855 7.8747 127.0007 59.6395 39.3755 175.1960 86 V 4.1846 8.3015 128.8949 61.5907 33.0981 173.9904 87 H 5.2931 9.2000 129.7152 54.6981 31.6859 173.0481 88 E 4.7395 9.2477 126.1373 55.1797 31.7077 175.8103 89 N 4.3567 8.6176 117.9540 53.6725 35.4378 175.0541 90 L 3.9741 8.0954 119.2961 54.6653 42.9214 174.7925 91 P 4.0702 0.0000 0.0000 62.9747 31.7041 175.2236 92 Q 4.6247 8.4399 123.8938 54.7681 30.4756 175.9026 93 V 4.4237 8.3154 125.0347 60.9240 32.2605 175.2333 94 G 3.8147 8.1659 108.0512 45.6841 0.0000 174.1912 95 S 4.7195 8.5786 117.3179 57.8853 63.7529 174.1387 96 A 4.0050 7.6593 124.5108 53.1114 18.7716 176.7305 97 G 4.2234 8.7186 105.8752 44.5957 0.0000 173.4230 98 E 4.4797 8.3211 117.6394 53.3870 31.2663 174.4733 99 P 4.5138 0.0000 0.0000 61.8177 32.2692 175.8682 100 S 4.2823 8.3885 114.8671 60.3484 62.8323 175.1434 101 G 4.3826 9.0486 113.7225 45.3292 0.0000 174.0771 102 T 4.5934 7.6857 110.0354 60.9301 69.1802 176.3694 103 W 4.1382 8.5545 134.4581 61.4368 30.7376 176.7198 104 L 4.1667 8.0978 115.6777 55.5863 41.7942 178.3147 105 A 4.0058 8.1842 122.2557 54.9798 18.2305 178.0138 106 P 4.2731 0.0000 0.0000 65.3594 31.2755 178.7415 107 V 3.7400 7.5338 117.2374 66.0876 31.2915 178.0977 108 L 3.9921 8.1342 118.8222 57.5938 41.4746 179.0801 109 E 4.0668 8.1785 118.2179 59.5082 29.5231 179.4057 110 G 3.5834 7.9031 105.4937 47.6992 0.0000 175.3828 111 L 3.4598 7.8693 123.1248 57.9850 42.0112 178.7013 112 Y 4.2181 8.2324 117.0880 60.6739 37.7334 178.4837 113 G 3.8657 8.5568 107.3604 48.1072 0.0000 175.5196 114 R 3.9054 7.8907 121.5072 58.7627 29.9089 178.6556 115 W 4.4995 7.7955 117.6696 59.8354 29.3994 178.6432 116 V 3.9128 8.4126 119.4627 65.1136 30.7909 178.5112 117 T 4.0590 7.9522 115.8716 66.3721 68.3996 176.0575 118 S 4.4323 7.8302 114.1488 59.8511 63.3676 175.2305 119 Q 4.5439 7.7212 120.1425 55.7183 29.3113 175.5803 120 A 4.5543 7.9738 123.0609 51.4016 20.0850 179.0526 121 G 4.0294 7.9190 104.1526 44.7831 0.0000 173.1148 122 A 3.9077 7.9811 120.2089 53.9627 18.6980 178.7650 123 F 4.7889 7.4934 113.0151 58.5114 40.3469 176.8666 124 G 3.3517 7.6570 108.9838 45.4528 0.0000 173.5200 125 D 4.4504 7.1550 121.8836 52.9244 42.6400 173.0407 126 Y 5.1334 8.2563 120.7437 55.9213 40.9066 175.0988 127 V 4.6580 9.1925 114.7649 59.7128 35.0602 175.5331 128 V 4.7340 8.4589 116.5055 59.9269 33.7033 175.0200 129 T 4.8383 8.8013 119.9091 59.9087 70.5005 173.4019 130 R 3.9458 9.3819 128.6744 56.2355 30.7521 175.8838 131 D 4.7809 8.5440 125.7850 52.5382 40.8973 177.1512 132 V 3.6509 8.2428 126.4610 64.6531 31.8483 178.0965 133 D 5.4767 8.1293 117.8294 53.3118 41.1821 176.3111 134 A 4.7223 8.0366 119.0393 51.8838 22.1428 178.3707 135 E 4.1053 8.1653 115.8058 59.4917 29.7446 178.4165 136 D 4.9091 7.9398 115.6479 53.0065 39.9814 177.8502 137 L 3.8710 7.8648 123.2608 58.0464 42.1896 177.0166 138 N 4.5117 7.9313 117.6525 52.6863 37.4219 172.9912 139 A 3.7340 8.5601 126.9034 53.2243 16.1415 177.7339 140 V 3.9554 7.2548 110.7260 61.4795 32.6380 174.9382 141 P 4.3312 0.0000 0.0000 62.6801 31.9524 177.0537 142 R 3.8635 8.7322 120.9871 59.6640 29.9581 177.2712 143 Q 4.4625 8.0223 113.6858 55.9576 29.0902 174.2856 144 T 4.8956 7.7018 116.1697 62.5034 69.7611 174.2359 145 I 4.5039 8.9220 127.6718 59.6641 40.0601 175.4097 146 I 4.4108 8.2655 127.0563 60.3443 39.9723 174.5482 *148 Y 5.0080 7.7224 118.2009 58.2216 40.0021 174.5132 *150 R 4.5676 8.3173 118.1362 57.0304 32.4045 175.6231 151 V 4.3588 9.5051 121.8907 62.9461 30.7765 175.0558 152 R 4.4064 8.1465 124.4529 55.2563 33.7663 173.9093 153 S 4.6505 8.9039 118.1014 58.0854 62.8940 174.7584 154 S 4.2115 8.8090 122.4588 60.9514 62.9255 174.6126 155 A 4.5831 8.9938 121.0781 50.7865 20.5816 176.5658 156 T 3.5271 8.5786 113.7045 61.6951 67.9649 171.9125 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 T 8.17 4.22 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 1.20 0.00 0.00 3 I 7.68 3.38 1.64 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 1.26 0.62 0.29 0.00 0.00 4 F 7.54 4.45 0.00 3.11 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 5 E 8.64 4.27 0.00 1.99 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 2.27 2.35 0.00 6 K 7.76 4.10 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.42 7.81 7 K 8.46 4.18 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.55 7.81 8 P 0.00 4.08 0.00 1.42 1.52 0.00 3.64 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 9 D 8.09 4.65 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 4.88 0.00 3.23 3.19 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 11 T 8.37 3.94 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 1.25 0.00 0.00 12 L 7.90 3.90 0.00 1.67 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.32 4.20 0.00 3.26 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.48 3.78 0.00 2.01 1.64 1.12 1.39 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 15 Q 7.91 4.00 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 T 7.67 3.78 4.12 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 1.11 0.00 0.00 17 L 7.69 3.71 0.00 0.97 1.20 0.87 0.74 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 18 S 7.59 3.30 0.00 2.72 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 19 W 7.82 3.85 0.00 3.34 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 20 E 8.26 3.97 0.00 2.11 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 0.00 2.32 2.42 0.00 21 I 7.92 3.75 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.63 1.06 0.00 0.00 22 D 7.79 4.56 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 23 D 8.19 4.42 0.00 2.90 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 24 Q 7.94 4.31 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 25 V 7.77 4.50 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 0.70 0.00 0.00 1.08 0.00 0.00 26 G 8.28 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.44 3.62 1.85 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 1.56 0.58 0.88 0.00 0.00 28 E 8.00 3.86 0.00 2.06 1.92 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 2.36 2.40 0.00 29 V 7.68 3.60 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 0.98 0.00 0.00 0.92 0.00 0.00 30 R 7.93 3.86 0.00 2.00 2.18 0.00 3.46 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.65 0.00 31 N 8.19 4.16 0.00 2.89 2.76 0.00 0.00 6.70 7.28 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 32 E 8.05 3.90 0.00 2.04 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 2.28 2.33 0.00 33 L 7.74 3.93 0.00 1.88 1.76 0.94 0.67 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 34 L 8.09 3.93 0.00 1.57 1.47 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.18 4.05 0.00 1.79 1.92 0.00 3.08 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 36 E 7.89 3.96 0.00 2.19 1.89 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 2.28 2.32 0.00 37 V 7.48 3.59 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 0.85 0.00 0.00 1.00 0.00 0.00 38 G 7.68 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 39 R 7.85 4.10 0.00 1.87 1.95 0.00 3.28 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 40 G 8.07 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 *42 G 8.15 3.79 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 0.00 0.00 0.00 43 T 7.43 4.38 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 1.26 0.00 0.00 44 R 7.90 4.54 0.00 1.75 1.96 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 45 I 7.44 4.57 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.92 0.00 0.00 *47 P 0.00 3.93 0.00 2.04 1.77 0.00 3.53 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 48 P 0.00 4.38 0.00 2.16 2.07 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 49 P 0.00 4.60 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 50 C 8.88 4.57 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.48 4.37 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 52 T 7.34 4.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 53 V 8.20 3.56 2.07 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 1.03 0.00 0.00 0.92 0.00 0.00 54 D 8.04 4.32 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.14 3.99 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 56 L 7.96 3.91 0.00 1.83 1.82 0.86 0.61 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 57 Q 8.46 3.96 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 58 I 7.57 3.70 1.84 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 1.51 0.84 0.89 0.00 0.00 59 E 8.05 3.89 0.00 2.01 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 2.48 2.41 0.00 60 L 8.07 3.49 0.00 1.70 1.71 1.24 0.19 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 61 N 8.30 4.36 0.00 2.75 2.90 0.00 0.00 6.96 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.53 4.01 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 63 L 7.55 4.03 0.00 1.55 1.66 0.80 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.35 4.17 0.00 1.94 2.04 1.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.23 4.09 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 66 L 7.64 3.96 0.00 1.92 1.77 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.83 4.29 1.89 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.87 0.00 0.00 68 G 7.67 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 0.00 0.00 0.00 69 W 8.55 4.63 0.00 3.31 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 70 G 8.52 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 0.00 0.00 0.00 71 T 8.42 5.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 72 V 9.49 5.12 2.35 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 0.96 0.00 0.00 0.95 0.00 0.00 73 T 8.73 4.86 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 1.20 0.00 0.00 74 L 9.32 5.19 0.00 1.44 1.55 0.94 0.78 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 75 E 8.90 4.52 0.00 1.96 1.72 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 2.19 2.23 0.00 76 L 8.70 4.47 0.00 1.68 1.56 0.90 1.01 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 77 L 9.31 4.75 0.00 1.87 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.88 4.30 0.00 3.99 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 79 E 8.13 4.08 0.00 1.99 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 2.32 2.27 0.00 80 D 7.84 4.63 0.00 2.68 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 81 Q 8.21 4.54 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 82 S 7.90 4.77 0.00 4.09 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 83 L 8.36 5.02 0.00 1.68 1.46 0.91 0.68 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 84 R 9.19 3.87 0.00 1.89 1.68 0.00 3.02 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.00 85 I 7.87 4.59 1.54 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 1.05 0.74 0.28 0.00 0.00 86 V 8.30 4.18 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 0.89 0.00 0.00 0.83 0.00 0.00 87 H 9.20 5.29 0.00 3.26 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.25 4.74 0.00 1.89 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 2.26 2.27 0.00 89 N 8.62 4.36 0.00 2.91 2.94 0.00 0.00 6.91 7.85 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 90 L 8.10 3.97 0.00 1.62 1.67 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.07 0.00 1.50 1.63 0.00 3.06 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.45 0.00 92 Q 8.44 4.62 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.49 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 93 V 8.32 4.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 94 G 8.17 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 0.00 0.00 0.00 95 S 8.58 4.72 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.66 4.00 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 97 G 8.72 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 0.00 0.00 0.00 0.00 98 E 8.32 4.48 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 2.18 2.31 0.00 99 P 0.00 4.51 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 100 S 8.39 4.28 0.00 3.91 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 0.00 101 G 9.05 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 0.00 102 T 7.69 4.59 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 1.26 0.00 0.00 103 W 8.55 4.14 0.00 3.36 3.33 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 0.00 104 L 8.10 4.17 0.00 1.80 1.65 1.32 0.64 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 0.00 105 A 8.18 4.01 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 0.00 106 P 0.00 4.27 0.00 1.99 2.00 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 107 V 7.53 3.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 108 L 8.13 3.99 0.00 2.13 1.84 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.18 4.07 0.00 2.14 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 2.41 2.39 0.00 110 G 7.90 3.58 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 0.00 0.00 0.00 111 L 7.87 3.46 0.00 1.49 0.97 -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.23 4.22 0.00 3.06 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 0.00 113 G 8.56 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.89 3.91 0.00 1.85 1.87 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 115 W 7.80 4.50 0.00 3.43 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.41 3.91 2.16 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 0.86 0.00 0.00 1.00 0.00 0.00 117 T 7.95 4.06 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 118 S 7.83 4.43 0.00 4.02 4.07 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 0.00 119 Q 7.72 4.54 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 120 A 7.97 4.55 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 0.00 121 G 7.92 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 0.00 122 A 7.98 3.91 0.60 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 0.00 0.00 123 F 7.49 4.79 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.66 3.35 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 0.00 125 D 7.16 4.45 0.00 2.56 2.35 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 0.00 126 Y 8.26 5.13 0.00 2.93 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 0.00 127 V 9.19 4.66 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 0.84 0.00 0.00 1.06 0.00 0.00 128 V 8.46 4.73 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 0.76 0.00 0.00 1.02 0.00 0.00 129 T 8.80 4.84 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 1.27 0.00 0.00 130 R 9.38 3.95 0.00 1.83 1.85 0.00 3.28 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 131 D 8.54 4.78 0.00 3.02 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 0.00 132 V 8.24 3.65 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 0.70 0.00 0.00 0.94 0.00 0.00 133 D 8.13 5.48 0.00 2.67 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 0.00 134 A 8.04 4.72 1.49 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 0.00 135 E 8.17 4.11 0.00 2.36 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 2.34 2.55 0.00 136 D 7.94 4.91 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.86 3.87 0.00 1.77 1.75 0.99 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 0.00 138 N 7.93 4.51 0.00 2.83 2.79 0.00 0.00 6.00 7.26 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 0.00 139 A 8.56 3.73 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 0.00 140 V 7.25 3.96 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 0.70 0.00 0.00 0.96 0.00 0.00 141 P 0.00 4.33 0.00 2.18 2.00 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 142 R 8.73 3.86 0.00 1.77 2.00 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 143 Q 8.02 4.46 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 144 T 7.70 4.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 145 I 8.92 4.50 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 1.27 1.05 0.94 0.00 0.00 146 I 8.27 4.41 1.86 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 1.21 1.46 0.76 0.00 0.00 *148 Y 7.72 5.01 0.00 2.97 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 *150 R 8.32 4.57 0.00 1.87 2.09 0.00 3.13 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 151 V 9.51 4.36 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 0.62 0.00 0.00 1.11 0.00 0.00 152 R 8.15 4.41 0.00 1.82 1.74 0.00 3.38 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 153 S 8.90 4.65 0.00 3.85 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 0.00 154 S 8.81 4.21 0.00 3.91 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 0.00 155 A 8.99 4.58 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 0.00 156 T 8.58 3.53 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.