NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3549 8.3301 115.4112 57.4246 64.5443 173.6149 9 A 4.1467 8.0541 121.5310 52.8239 19.5424 176.1685 10 L 4.5580 9.1445 122.6662 53.1533 44.9477 173.3089 11 L 4.9423 8.6062 128.6456 53.5768 43.6357 175.0783 12 L 4.7838 9.2887 128.1788 53.4182 43.7324 176.0049 13 Q 5.2481 8.6766 122.4867 53.3367 32.2590 174.8967 14 E 2.5400 8.6664 118.6348 57.5864 29.5951 176.7007 15 A 3.6888 8.1499 121.3990 53.0885 16.3522 176.9958 16 Q 4.6093 7.5486 114.7470 54.8251 32.9168 174.7425 17 A 4.2013 8.5359 122.3138 54.3879 18.7258 178.3204 18 G 4.0390 9.2844 110.7087 44.9282 0.0000 172.4768 19 F 4.8105 7.9929 122.5060 57.3593 40.0273 174.1058 20 C 4.6555 8.0209 126.0445 58.5147 43.0093 174.3379 21 R 4.6149 6.2309 114.8637 55.3601 32.9026 173.7829 22 V 4.7204 8.3634 123.6034 60.1139 34.6054 175.4716 23 D 4.5252 9.5903 124.8044 54.0439 40.2709 174.8665 24 G 4.5324 7.5763 117.6476 44.3158 0.0000 171.2481 25 T 4.7329 8.8351 116.1561 59.9943 72.9667 172.6687 26 I 4.6532 8.1395 122.6528 60.0479 38.4802 174.9961 27 D 4.7632 8.2612 126.5532 51.9944 45.0133 176.6682 28 N 4.0978 7.8879 113.6061 53.1814 37.9032 174.5338 29 N 4.8878 8.3421 113.7629 53.4427 37.8731 173.9675 30 H 5.2079 8.4797 115.9200 54.1975 31.7962 173.7002 31 T 4.1566 8.6536 113.9678 62.4025 69.2854 174.6462 32 G 3.9601 8.6051 110.6295 45.0332 0.0000 173.5840 33 F 3.4023 7.2762 114.5436 55.9145 39.0432 173.9486 34 T 4.5453 8.9191 110.6763 60.4084 71.8241 175.6834 35 G 3.8417 8.4413 109.4100 46.0781 0.0000 173.9023 36 S 4.6239 7.9766 114.1802 58.6202 64.4076 174.9334 37 G 3.2716 7.4925 107.2716 46.3818 0.0000 172.4179 38 F 5.2471 7.3079 115.6651 55.5372 42.1185 173.7098 39 A 4.7462 9.5298 123.0079 51.5388 20.2250 176.0412 40 N 5.3890 9.3717 122.3867 51.6989 40.7065 173.9583 41 T 4.6142 8.5393 116.3711 61.1980 69.8923 173.9915 42 N 4.2456 8.9054 120.9130 54.3334 40.0405 174.3415 43 N 5.1854 8.6800 119.2609 51.8284 37.3725 173.3690 44 A 4.7225 7.7583 121.9671 50.1996 22.9938 175.8012 45 Q 4.2658 8.7261 120.4452 57.4823 29.1122 176.9959 46 G 3.9486 9.3677 109.6061 45.4253 0.0000 174.0287 47 A 4.1702 7.6515 121.9488 52.3659 19.3250 176.5892 48 A 5.2272 9.1071 123.0203 49.9944 23.3452 174.8257 49 V 4.3913 8.4414 118.7547 60.8849 34.6514 174.7202 50 V 4.6039 7.4642 126.1873 60.8687 34.9226 174.1744 51 W 5.4069 9.3494 125.9212 54.8477 34.0476 173.7723 52 A 5.2479 9.2159 121.5866 50.5452 22.2019 175.3178 53 I 4.9796 8.8262 122.0388 59.5142 41.5063 173.8396 54 D 5.3688 9.3674 126.6929 52.7764 43.0468 174.6335 55 A 5.3120 8.6738 127.9865 50.3346 20.9689 177.3880 56 T 3.9481 8.6586 113.2420 63.9909 69.5401 175.1936 57 S 4.7127 7.7907 116.3928 56.2736 66.9848 173.8063 58 S 4.4507 8.5774 117.5803 57.6341 63.7740 173.6545 59 G 4.3023 7.7720 111.7985 44.5550 0.0000 171.9218 60 R 4.6867 7.9365 119.4395 56.1541 30.7243 176.6530 61 R 4.8688 9.1725 121.7375 54.7129 34.7352 174.4468 62 T 4.8774 8.5235 118.2282 62.1630 70.6638 173.6101 63 L 4.9977 8.8386 127.2838 53.4113 44.2219 175.6563 64 T 5.0408 8.8461 120.1113 61.8009 71.7860 172.8762 65 I 4.8624 8.9630 127.9809 59.5804 39.6743 174.6017 66 R 5.1810 8.7583 128.5080 55.5085 31.6491 174.6769 67 Y 5.7992 9.2929 123.1288 55.9314 42.1661 173.2810 68 A 4.4297 8.8161 121.9906 50.0777 22.3050 175.0469 69 N 4.3566 8.5695 119.8897 51.5057 40.3782 174.6322 70 G 2.1685 5.3800 110.9274 44.5922 0.0000 171.6146 71 G 3.9603 6.7217 109.3562 44.0255 0.0000 174.3429 72 T 3.9644 8.2516 108.7022 63.7653 69.3403 175.5980 73 A 4.2514 7.6467 123.3759 50.9912 19.3974 176.6940 74 N 4.5668 8.5907 117.8378 54.2248 39.6604 174.7874 75 R 4.9838 8.3067 118.3408 54.6834 29.4320 175.2269 76 N 4.5871 8.1308 118.6369 53.4296 40.6160 175.5946 77 G 4.4504 9.1333 108.1677 44.5483 0.0000 171.6165 78 S 5.1725 9.2413 116.5938 56.3756 64.6297 172.4594 79 L 5.3201 9.1224 129.7809 53.4150 44.1924 175.0240 80 V 5.0480 9.0035 126.2316 61.1786 35.2381 173.9419 81 I 4.8268 8.8390 128.0648 59.9798 39.6252 175.7204 82 N 4.0952 9.8199 125.8610 54.7398 36.4782 174.7983 83 G 3.7484 9.0258 100.6520 45.6968 0.0000 169.6460 84 G 3.6324 7.9384 116.0993 44.4718 0.0000 173.9873 *87 G 3.7678 8.1539 111.8938 45.7817 0.0000 170.4252 88 N 5.4851 8.2252 118.3860 51.4749 41.1791 173.4108 89 Y 4.9677 9.4799 121.2019 56.2651 42.5521 174.4352 90 T 5.0976 8.6059 110.3138 60.0549 71.6026 173.7860 91 V 4.3941 8.6278 123.4705 61.2833 34.4551 174.3799 92 S 4.8332 8.7242 124.3369 57.9515 63.8492 174.8193 93 L 4.4636 9.0288 124.4457 52.1143 41.7862 174.0848 94 P 5.1957 0.0000 0.0000 61.2370 33.1505 176.9569 95 T 3.8702 8.4398 114.7076 63.0301 67.3949 173.6209 96 T 4.1085 8.2766 117.0847 61.4863 69.5327 175.6047 97 G 3.7990 8.9008 110.5782 45.3090 0.0000 173.3283 98 A 4.0723 6.6586 118.9302 51.1405 21.4238 177.0573 99 W 4.0309 8.4934 119.8696 58.5084 29.2082 177.2881 100 T 4.6227 7.6167 106.9959 61.6642 69.1229 174.0873 101 T 4.5911 7.1375 119.7927 61.7542 70.0840 173.9262 102 W 4.6603 8.7866 125.5278 55.0597 32.3185 174.6791 103 Q 4.7289 8.5411 121.5719 54.5474 33.1539 173.6796 104 T 5.4467 8.5472 108.6206 60.1983 71.8340 173.2829 105 A 4.9649 9.2406 124.5906 50.4921 22.0837 175.0751 106 T 5.0942 8.4185 115.2774 60.5330 70.8356 173.0580 107 I 4.4501 8.3671 125.9610 60.1033 41.9143 173.0708 108 D 5.1899 8.6638 129.2122 53.7725 42.2337 175.9584 109 V 4.3205 8.5652 114.4896 59.8542 36.7832 173.6675 110 D 5.2701 8.8372 122.0345 53.1779 42.2032 176.3496 111 L 4.8793 8.5263 122.9607 53.1695 44.2553 176.7399 112 V 4.2666 8.5111 115.7725 60.1201 32.7024 176.2193 113 Q 4.0947 8.3620 123.5678 57.7514 30.1631 176.8023 114 G 3.9005 9.3811 110.9218 44.1283 0.0000 171.4818 115 N 4.9230 8.4313 120.1230 53.7142 40.1793 175.9156 116 N 5.0660 9.0818 122.3339 51.6044 42.4000 173.4027 117 I 4.4479 8.3554 125.8817 60.7480 38.7239 175.2268 118 V 4.7976 9.0253 128.5572 61.4540 33.4009 174.2317 119 Q 4.9699 9.0954 127.8522 54.1036 31.2520 174.3576 120 L 5.0961 9.0393 127.2168 53.7206 43.9987 175.1679 121 S 5.3286 9.1393 122.6198 56.2243 66.6975 173.6234 122 A 4.4670 8.7305 125.7315 52.6061 18.6693 178.4176 123 T 4.5391 8.6329 112.7213 62.5388 70.1967 174.5898 124 T 4.6280 7.6633 111.4262 59.2867 71.7021 174.2852 125 A 4.3329 8.3975 123.1797 53.8691 18.4669 178.3655 126 E 4.0887 7.9779 114.5335 56.7753 30.0794 178.2137 127 G 3.7936 7.7302 106.9308 44.5891 0.0000 172.9550 128 L 4.4448 7.9876 119.6497 52.8111 42.7968 174.3119 129 P 4.8464 0.0000 0.0000 62.5669 32.6413 175.6496 130 N 4.9484 9.2439 117.8181 53.6010 39.7911 174.6148 131 I 4.9612 9.3236 124.9271 60.0695 38.9871 175.9662 132 D 4.6464 9.8318 128.8084 57.0113 41.7374 176.2296 133 S 5.0181 7.9420 110.1843 57.5668 66.3696 173.1572 134 L 4.9358 8.6187 122.6797 53.1967 44.5116 174.8745 135 S 5.1900 9.0197 121.1092 56.4657 65.4936 172.7404 136 V 4.7661 8.5404 125.4692 61.1292 34.7228 174.1610 137 V 4.5572 9.5094 127.1979 60.1946 34.8328 172.6606 138 G 3.5402 10.3026 115.8306 44.9356 0.0000 173.6681 139 G 3.5669 8.1845 118.5493 46.9258 0.0000 173.8594 140 T 4.5957 8.3508 121.4587 61.8218 70.8387 173.5110 141 V 5.0477 8.3439 119.0798 59.7281 35.6088 175.1371 142 R 4.8201 8.8951 121.7861 53.8262 35.3218 174.1705 143 A 4.2858 8.8102 121.6517 53.4676 18.5714 178.1161 144 G 4.0822 8.6916 111.3399 45.3842 0.0000 171.8828 145 N 5.0033 9.0855 119.1293 51.4443 39.8385 174.5969 146 C 4.4289 8.5549 121.2343 57.3563 41.1374 174.0264 147 G 3.6521 8.8602 110.2988 45.5135 0.0000 173.7914 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 8 S 8.33 4.35 0.00 3.99 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 9 A 8.05 4.15 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 10 L 9.14 4.56 0.00 1.70 1.48 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.61 4.94 0.00 1.64 1.56 0.92 1.01 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 12 L 9.29 4.78 0.00 1.55 1.84 0.88 0.72 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 13 Q 8.68 5.25 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 14 E 8.67 2.54 0.00 1.34 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 2.04 2.00 0.00 15 A 8.15 3.69 1.25 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 0.00 0.00 16 Q 7.55 4.61 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 17 A 8.54 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 18 G 9.28 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 19 F 7.99 4.81 0.00 3.32 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 20 C 8.02 4.66 0.00 2.67 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.23 4.61 0.00 1.68 1.48 0.00 3.07 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 22 V 8.36 4.72 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 0.90 0.00 0.00 0.97 0.00 0.00 23 D 9.59 4.53 0.00 2.65 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 24 G 7.58 4.53 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 25 T 8.84 4.73 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 1.17 0.00 0.00 26 I 8.14 4.65 1.68 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.59 0.00 0.00 27 D 8.26 4.76 0.00 1.83 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 0.00 0.00 0.00 0.00 28 N 7.89 4.10 0.00 2.55 2.41 0.00 0.00 5.98 8.04 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 29 N 8.34 4.89 0.00 2.84 2.93 0.00 0.00 6.00 7.90 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 30 H 8.48 5.21 0.00 3.37 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.65 4.16 4.29 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 1.30 0.00 0.00 32 G 8.61 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 33 F 7.28 3.40 0.00 3.21 2.81 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 34 T 8.92 4.55 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 1.08 0.00 0.00 35 G 8.44 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.98 4.62 0.00 3.92 3.97 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 37 G 7.49 3.27 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 38 F 7.31 5.25 0.00 3.53 3.23 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 39 A 9.53 4.75 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.37 5.39 0.00 2.98 2.84 0.00 0.00 6.62 7.14 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 41 T 8.54 4.61 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 1.25 0.00 0.00 42 N 8.91 4.25 0.00 2.64 2.81 0.00 0.00 7.22 6.48 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 43 N 8.68 5.19 0.00 2.62 2.92 0.00 0.00 6.71 7.35 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 44 A 7.76 4.72 1.20 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 0.00 0.00 45 Q 8.73 4.27 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 46 G 9.37 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 47 A 7.65 4.17 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 48 A 9.11 5.23 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 49 V 8.44 4.39 1.59 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 0.06 0.00 0.00 0.91 0.00 0.00 50 V 7.46 4.60 1.77 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 0.90 0.00 0.00 0.75 0.00 0.00 51 W 9.35 5.41 0.00 3.21 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 52 A 9.22 5.25 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 53 I 8.83 4.98 1.88 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 1.09 0.99 0.95 0.00 0.00 54 D 9.37 5.37 0.00 2.76 2.54 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 55 A 8.67 5.31 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 56 T 8.66 3.95 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 57 S 7.79 4.71 0.00 3.81 3.74 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 58 S 8.58 4.45 0.00 4.04 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 59 G 7.77 4.30 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 0.00 60 R 7.94 4.69 0.00 1.71 1.87 0.00 3.53 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 61 R 9.17 4.87 0.00 1.66 1.70 0.00 3.19 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 1.49 1.65 0.00 62 T 8.52 4.88 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 1.20 0.00 0.00 63 L 8.84 5.00 0.00 1.42 1.40 0.74 0.27 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 64 T 8.85 5.04 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 1.24 0.00 0.00 65 I 8.96 4.86 1.95 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 1.08 0.72 1.13 0.00 0.00 66 R 8.76 5.18 0.00 2.02 1.91 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 67 Y 9.29 5.80 0.00 3.33 3.17 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 68 A 8.82 4.43 -0.23 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 69 N 8.57 4.36 0.00 2.79 2.72 0.00 0.00 6.93 7.44 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 70 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 6.72 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 72 T 8.25 3.96 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 73 A 7.65 4.25 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 74 N 8.59 4.57 0.00 2.83 2.90 0.00 0.00 6.76 7.66 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 75 R 8.31 4.98 0.00 1.64 2.06 0.00 3.29 0.00 0.00 3.52 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 76 N 8.13 4.59 0.00 2.71 2.73 0.00 0.00 6.63 7.61 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 77 G 9.13 4.45 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 0.00 0.00 0.00 78 S 9.24 5.17 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.12 5.32 0.00 1.79 1.62 0.91 0.53 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 80 V 9.00 5.05 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 1.09 0.00 0.00 1.03 0.00 0.00 81 I 8.84 4.83 1.99 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 1.31 1.21 0.97 0.00 0.00 82 N 9.82 4.10 0.00 2.81 2.87 0.00 0.00 7.01 7.54 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 83 G 9.03 3.75 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 0.00 0.00 0.00 84 G 7.94 3.63 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 0.00 0.00 0.00 *87 G 8.15 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.23 5.49 0.00 2.46 2.66 0.00 0.00 6.74 7.46 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 89 Y 9.48 4.97 0.00 2.77 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 90 T 8.61 5.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 91 V 8.63 4.39 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 0.96 0.00 0.00 0.95 0.00 0.00 92 S 8.72 4.83 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 9.03 4.46 0.00 1.41 1.07 0.88 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 5.20 0.00 2.09 2.13 0.00 3.48 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 95 T 8.44 3.87 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 1.14 0.00 0.00 96 T 8.28 4.11 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 0.84 0.00 0.00 97 G 8.90 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 98 A 6.66 4.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 W 8.49 4.03 0.00 3.00 2.55 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 0.00 100 T 7.62 4.62 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 1.34 0.00 0.00 101 T 7.14 4.59 4.10 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 1.14 0.00 0.00 102 W 8.79 4.66 0.00 3.11 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 0.00 103 Q 8.54 4.73 0.00 1.35 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 104 T 8.55 5.45 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 105 A 9.24 4.96 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 0.00 106 T 8.42 5.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 107 I 8.37 4.45 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.78 0.00 0.00 108 D 8.66 5.19 0.00 2.59 2.54 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 0.00 109 V 8.57 4.32 1.68 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 -0.25 0.00 0.00 0.77 0.00 0.00 110 D 8.84 5.27 0.00 2.67 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 0.00 111 L 8.53 4.88 0.00 1.60 1.65 0.90 0.62 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 0.00 112 V 8.51 4.27 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 0.66 0.00 0.00 1.03 0.00 0.00 113 Q 8.36 4.09 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 114 G 9.38 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 0.00 115 N 8.43 4.92 0.00 2.74 2.74 0.00 0.00 6.57 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 9.08 5.07 0.00 2.79 2.71 0.00 0.00 6.82 6.80 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 0.00 117 I 8.36 4.45 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.92 0.00 0.00 118 V 9.03 4.80 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 119 Q 9.10 4.97 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 120 L 9.04 5.10 0.00 2.10 1.75 1.01 0.83 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 S 9.14 5.33 0.00 3.75 3.71 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 0.00 122 A 8.73 4.47 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 0.00 123 T 8.63 4.54 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 124 T 7.66 4.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 125 A 8.40 4.33 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 0.00 126 E 7.98 4.09 0.00 2.05 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 0.00 2.38 2.28 0.00 127 G 7.73 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 0.00 128 L 7.99 4.44 0.00 1.73 1.71 1.02 1.03 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 0.00 129 P 0.00 4.85 0.00 2.46 2.22 0.00 3.81 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 2.08 1.85 0.00 130 N 9.24 4.95 0.00 2.63 2.82 0.00 0.00 7.28 7.43 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 0.00 131 I 9.32 4.96 2.20 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 1.41 0.00 0.00 132 D 9.83 4.65 0.00 2.33 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.94 5.02 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.62 4.94 0.00 0.40 0.57 0.45 -0.27 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 0.00 135 S 9.02 5.19 0.00 3.84 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 0.00 136 V 8.54 4.77 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 0.84 0.00 0.00 0.78 0.00 0.00 137 V 9.51 4.56 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 0.88 0.00 0.00 0.90 0.00 0.00 138 G 10.30 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 0.00 139 G 8.18 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 0.00 140 T 8.35 4.60 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 0.00 141 V 8.34 5.05 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 0.77 0.00 0.00 0.91 0.00 0.00 142 R 8.90 4.82 0.00 1.72 1.78 0.00 3.16 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 143 A 8.81 4.29 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 0.00 144 G 8.69 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 9.09 5.00 0.00 2.67 2.77 0.00 0.00 6.97 7.55 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 0.00 146 C 8.55 4.43 0.00 2.97 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 0.00 147 G 8.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.