NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0593 7.9133 120.3044 61.7548 33.3773 176.5638 7 N 4.5679 8.0037 114.9652 52.5917 38.2512 173.8024 8 K 4.6106 7.7906 116.1040 55.8899 33.9238 175.5547 9 E 4.1852 7.8891 121.2620 56.4971 30.6758 175.7345 10 R 5.2138 8.4285 123.3800 54.7467 34.2568 174.3826 11 T 4.6958 8.6310 115.2979 60.3376 71.8154 171.9706 12 F 5.2164 8.6548 127.9249 56.5947 41.4994 174.2812 13 L 4.6857 8.0480 125.3664 52.5881 45.7241 175.3637 14 A 4.5557 7.7369 122.7115 49.9904 22.6279 175.1367 15 V 4.0249 8.8327 124.0506 61.8751 32.5156 175.9961 16 K 4.4944 8.9358 128.4386 55.4252 33.1624 176.5766 17 P 4.4155 0.0000 0.0000 65.2364 30.8982 178.6958 18 D 4.5856 8.4699 117.5958 56.4901 39.4565 178.7927 19 G 3.5568 8.1053 106.7739 47.3495 0.0000 175.8151 20 V 3.5588 7.8946 120.4606 65.8290 31.4186 178.0979 21 A 4.0872 8.0688 119.3228 54.8491 18.2429 178.8197 22 R 4.2951 8.0790 114.3671 55.4049 30.6721 176.4922 23 G 3.8232 7.9986 106.5603 47.2504 0.0000 174.6161 24 L 4.3898 7.6954 116.5883 54.0893 43.0062 179.2257 25 V 3.6660 7.9135 119.9271 66.1606 31.4686 178.1234 26 G 3.6049 7.9808 104.9041 47.6735 0.0000 174.9680 27 E 3.9480 8.0929 121.3085 59.0965 29.1366 178.9292 28 I 3.7657 7.8209 119.6898 64.5041 37.1838 178.4349 29 I 4.0339 8.0130 120.4324 64.5222 36.9148 178.2803 30 A 4.1899 8.2739 121.5712 55.3344 18.0192 179.8583 31 R 3.7247 7.7523 116.5240 59.6286 29.7963 178.9086 32 Y 3.9656 7.4346 115.3901 60.7580 37.7247 177.9940 33 E 4.1564 8.5478 119.8394 59.3726 29.3592 179.4982 34 K 3.9694 8.0349 117.8279 59.2453 32.1401 179.0631 35 K 3.8812 7.4585 119.3473 58.1478 32.1293 177.3856 36 G 3.9128 7.3249 104.2536 44.8566 0.0000 173.9955 37 F 4.9722 7.3272 118.4733 57.6316 39.9725 174.8551 38 V 4.4906 9.0959 122.3239 61.0203 33.5257 174.5618 39 L 3.4526 8.6581 130.4181 55.1993 41.8423 176.1636 40 V 4.1045 8.5686 126.9593 63.4626 33.9336 175.3988 41 G 4.0449 7.1187 105.7183 44.9669 0.0000 171.8436 42 L 5.1730 8.2200 120.9903 54.0533 45.1933 173.8074 43 K 4.4438 8.6207 122.2954 56.3233 36.1139 173.6647 44 Q 5.1440 8.7401 123.9024 55.2487 30.5458 174.2502 45 L 4.4904 8.9030 124.5538 55.0632 44.5945 174.0004 46 V 4.4584 8.1042 119.7377 60.3662 32.6291 173.6086 47 P 4.1723 0.0000 0.0000 62.7452 32.0252 177.3102 48 T 4.2690 7.9418 112.6683 60.5928 71.4414 175.8090 49 K 3.8638 8.3915 121.8159 59.8405 32.1621 178.4453 50 D 4.3442 7.9490 118.5921 57.2930 40.7303 178.3981 51 L 3.6949 7.5410 120.6566 57.6889 41.9997 178.7575 52 A 3.9633 7.8383 120.7246 55.4541 18.1986 179.5112 53 E 4.2021 8.4267 115.8783 59.6054 29.8818 179.4193 54 S 4.2731 8.1138 113.3410 61.5257 62.2670 175.5451 55 H 4.1869 8.4062 120.3057 58.8837 29.7454 175.9251 56 Y 4.9497 8.0789 116.0447 57.9263 38.0879 177.0523 57 A 3.9399 7.9676 125.6875 55.4824 18.1207 180.2575 58 E 3.9901 8.3530 113.5736 59.0740 29.6969 177.3497 59 H 4.7764 8.9354 116.2207 55.0272 29.2715 176.1366 60 K 2.0000 7.7582 120.4503 58.4170 32.0746 177.4733 61 E 4.1883 7.6241 117.2512 57.0058 30.2677 176.5210 62 R 4.3416 7.7004 118.3470 54.7199 31.3737 175.0653 63 P 4.4398 0.0000 0.0000 65.9512 31.8094 178.5305 64 F 4.5023 8.4325 113.7229 58.1375 37.7070 176.5372 65 F 3.7704 7.3526 121.1800 61.4746 39.0795 177.1225 66 G 3.6382 8.1757 104.8590 47.6370 0.0000 175.8053 67 G 3.6569 7.8740 107.5340 47.3955 0.0000 175.8065 68 L 3.8655 7.6284 121.1881 57.5530 41.0166 179.7009 69 V 3.5702 7.1939 118.0961 65.9922 31.1916 178.1793 70 S 4.1332 7.7828 113.6760 61.5793 62.9335 176.2245 71 F 4.4344 8.1791 123.1782 61.4290 39.0273 177.0206 72 I 3.5639 7.7219 116.4695 63.0793 37.6271 176.7362 73 T 4.3986 7.3819 108.5314 61.8030 68.9427 176.0348 74 S 4.1540 8.1043 117.4976 60.0465 63.5093 173.1657 75 G 4.0777 6.8891 108.0173 45.0199 0.0000 171.4058 76 P 4.8351 0.0000 0.0000 63.0857 32.5688 175.6401 77 V 4.6663 9.3169 120.6761 61.2688 35.7005 174.3500 78 V 4.6538 8.4430 126.7554 61.3703 33.2232 174.0862 79 A 4.8883 8.7092 131.0915 51.0029 20.7253 175.6620 80 M 5.2425 8.7263 118.4238 53.8450 35.5767 173.8924 81 V 4.7059 7.9936 119.2987 61.1731 34.6328 174.2545 82 F 5.1801 8.8116 126.1052 55.5945 42.1978 174.0582 83 E 5.1649 9.8800 122.7728 53.6298 32.6275 175.2508 84 G 4.7510 8.3640 115.0968 45.8843 0.0000 172.1296 85 K 4.3701 8.0685 121.7930 56.8416 32.5958 177.2134 86 G 4.2908 9.0776 114.2612 46.6404 0.0000 175.8703 87 V 3.0114 7.2777 122.0296 64.2301 30.7139 177.7316 88 V 3.4426 7.9611 118.7142 65.7913 31.4078 177.9422 89 A 4.0571 7.9020 119.8698 54.9434 18.3865 179.3427 90 S 4.1256 8.4248 111.7265 61.6167 62.4401 176.3198 91 A 4.3433 8.6486 123.7715 55.2590 18.0317 179.8882 92 R 3.9440 7.8079 116.3230 59.2794 29.9163 178.9673 93 L 4.0211 7.8844 119.3429 58.4250 42.3104 178.7112 94 M 4.2020 8.2430 118.6246 57.9090 31.7740 178.8649 95 I 3.8543 7.5498 120.3129 66.1796 37.6676 174.1505 96 G 4.1349 8.0273 103.4872 44.2521 0.0000 172.8581 97 V 4.3642 7.8411 114.0532 59.5212 34.0388 176.0482 98 T 3.9112 8.6090 117.5727 66.6574 68.4403 174.3331 99 N 4.6690 7.9463 121.0490 51.5157 39.4253 173.3800 100 P 4.3062 0.0000 0.0000 65.6854 31.6734 178.8482 101 L 3.9708 7.9617 116.4794 57.0559 41.6141 177.5687 102 A 4.4506 7.5660 119.2446 52.3153 19.5755 177.2863 103 S 4.4435 7.6396 112.8594 57.9072 63.6901 174.4561 104 A 4.1990 8.5480 125.8557 51.0262 19.6052 175.0115 105 P 4.3973 0.0000 0.0000 64.0655 31.3694 176.0964 106 G 3.9847 9.3799 113.2070 45.7974 0.0000 174.9696 107 S 4.6790 7.9161 114.7301 56.8533 66.0469 175.2514 108 I 3.7622 8.4143 123.9843 65.0311 36.9871 179.2465 109 R 4.1975 8.3577 118.7018 58.9181 29.6215 179.4077 110 G 3.5608 7.6191 105.3669 47.5747 0.0000 175.1315 111 D 4.2488 7.7793 120.0973 55.5987 41.0079 177.1711 112 F 5.0304 7.8888 114.2702 56.5293 40.9998 174.8581 113 G 4.3404 8.0947 108.9864 43.7156 0.0000 173.3252 114 V 4.3196 8.2254 116.4040 61.7685 33.7263 175.0330 115 D 4.9039 7.7917 118.7881 51.7777 43.5468 176.1352 116 V 3.5465 8.7620 126.3074 66.1600 31.4812 177.3829 117 G 3.6446 7.9147 106.4045 47.4056 0.0000 173.6343 118 R 4.4958 7.7464 118.3436 54.4400 30.1290 174.6095 119 N 4.8436 8.0704 112.1791 52.4599 38.6322 176.9993 120 I 3.7732 8.9460 127.1240 62.6485 36.8232 172.3401 121 I 5.1937 6.5838 117.7098 58.7456 39.7799 173.4507 *123 G 3.6853 8.5252 106.5009 45.2121 0.0000 172.8210 124 S 4.2880 8.2985 119.6717 58.9215 63.3248 175.0003 125 D 4.7234 8.6259 122.5248 54.2599 40.1823 176.3333 126 S 4.5841 7.8777 114.5665 56.3837 67.2999 175.6169 127 V 3.5690 8.2332 121.3985 66.3019 31.2556 177.8972 128 E 4.0891 8.1291 118.1324 59.2889 29.4114 179.2832 129 S 4.1658 8.2643 114.3076 61.1857 63.0813 176.3329 130 A 4.3316 8.6002 126.0746 54.5418 18.2356 179.3484 131 N 4.2711 8.6389 115.3271 56.3742 38.6165 177.6911 132 R 3.8770 8.0234 120.0051 59.5213 30.2480 178.3934 133 E 3.9598 8.6094 118.7617 59.4131 29.3349 179.4526 134 I 3.8013 7.9837 119.6441 64.5129 37.0389 178.4668 135 A 4.0706 7.7150 119.3502 54.4326 18.1741 179.2378 136 L 4.0063 7.5724 118.6778 58.0604 42.4041 178.5956 137 W 4.2144 8.6866 117.1757 57.0793 29.5964 176.5933 138 F 5.0958 8.1134 116.6069 55.3455 42.0327 174.8383 139 K 4.4576 9.4884 123.7114 54.9441 33.2763 176.5124 140 P 4.4901 0.0000 0.0000 65.8238 31.4462 178.7199 141 E 4.0654 8.1756 116.2995 58.9394 29.4467 177.3812 142 E 4.4194 8.5509 116.6807 56.5213 29.9820 176.0592 143 L 4.8662 7.4070 119.1648 52.3114 44.0736 176.3978 144 L 4.1442 8.4285 123.5677 55.1394 42.1596 177.2622 145 T 4.1458 8.5084 112.8581 62.6358 69.8902 174.4159 146 E 4.3155 7.9276 120.6007 54.5164 29.0571 174.4876 147 V 4.2330 8.0388 124.3223 61.0131 33.1884 175.3239 148 K 4.4295 8.4274 125.7893 53.9987 34.0067 174.2645 149 P 4.6963 0.0000 0.0000 60.9803 33.0974 175.3681 150 N 4.3875 8.5450 117.0341 53.1545 39.0318 173.5567 151 P 4.5089 0.0000 0.0000 64.7399 31.6513 176.4320 152 N 4.7286 9.0967 116.4790 53.4257 38.8541 175.6205 153 L 4.0823 7.6383 119.2819 55.8386 42.4323 176.7136 154 Y 4.8074 7.4941 114.2498 55.8555 40.6841 175.1185 155 E 4.1719 8.9043 123.0400 56.5408 29.7948 176.1823 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 6 V 7.91 4.06 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 0.75 0.00 0.00 0.94 0.00 0.00 7 N 8.00 4.57 0.00 2.49 2.22 0.00 0.00 6.75 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.79 4.61 0.00 1.68 1.77 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.29 7.81 9 E 7.89 4.19 0.00 2.17 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 2.34 2.33 0.00 10 R 8.43 5.21 0.00 1.65 1.71 0.00 3.17 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 11 T 8.63 4.70 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 1.00 0.00 0.00 12 F 8.65 5.22 0.00 3.18 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 13 L 8.05 4.69 0.00 1.25 1.21 0.03 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.74 4.56 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.83 4.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 16 K 8.94 4.49 0.00 2.09 1.84 0.00 2.01 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.49 7.81 17 P 0.00 4.42 0.00 1.52 1.91 0.00 3.32 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 1.79 2.05 0.00 18 D 8.47 4.59 0.00 2.99 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 19 G 8.11 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.56 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 1.00 0.00 0.00 1.06 0.00 0.00 21 A 8.07 4.09 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 22 R 8.08 4.30 0.00 1.81 1.94 0.00 3.33 0.00 0.00 3.32 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 23 G 8.00 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 0.00 0.00 0.00 24 L 7.70 4.39 0.00 1.71 1.40 0.74 -0.18 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 25 V 7.91 3.67 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 1.07 0.00 0.00 0.93 0.00 0.00 26 G 7.98 3.60 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 0.00 27 E 8.09 3.95 0.00 2.01 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 2.08 2.50 0.00 28 I 7.82 3.77 2.13 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 1.62 1.03 1.11 0.00 0.00 29 I 8.01 4.03 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 1.21 0.00 0.00 30 A 8.27 4.19 1.39 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 0.00 0.00 0.00 31 R 7.75 3.72 0.00 1.68 1.56 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 32 Y 7.43 3.97 0.00 2.59 1.88 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 33 E 8.55 4.16 0.00 2.22 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 0.00 2.54 2.76 0.00 34 K 8.03 3.97 0.00 1.77 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.70 7.81 35 K 7.46 3.88 0.00 1.56 1.73 0.00 1.42 0.00 0.00 1.54 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.05 0.63 7.81 36 G 7.32 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 37 F 7.33 4.97 0.00 3.10 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 38 V 9.10 4.49 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 1.06 0.00 0.00 1.08 0.00 0.00 39 L 8.66 3.45 0.00 1.42 1.43 0.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.57 4.10 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 0.80 0.00 0.00 0.91 0.00 0.00 41 G 7.12 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 42 L 8.22 5.17 0.00 1.52 1.49 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.62 4.44 0.00 1.87 1.91 0.00 1.25 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.17 1.25 7.81 44 Q 8.74 5.14 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 45 L 8.90 4.49 0.00 1.69 1.71 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.10 4.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 47 P 0.00 4.17 0.00 2.03 1.74 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 48 T 7.94 4.27 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 1.13 0.00 0.00 49 K 8.39 3.86 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.52 7.81 50 D 7.95 4.34 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 51 L 7.54 3.69 0.00 1.35 1.44 -0.13 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.84 3.96 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 53 E 8.43 4.20 0.00 2.00 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 0.00 2.45 2.66 0.00 54 S 8.11 4.27 0.00 3.92 3.92 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 55 H 8.41 4.19 0.00 3.27 3.45 0.00 5.98 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.08 4.95 0.00 3.20 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 57 A 7.97 3.94 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 0.00 0.00 58 E 8.35 3.99 0.00 2.03 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 0.00 2.33 2.00 0.00 59 H 8.94 4.78 0.00 3.40 3.02 0.00 5.63 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 60 K 7.76 2.00 0.00 0.94 1.09 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.15 7.81 61 E 7.62 4.19 0.00 1.87 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 0.00 2.19 2.28 0.00 62 R 7.70 4.34 0.00 1.45 1.95 0.00 3.48 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 63 P 0.00 4.44 0.00 2.31 2.37 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.07 0.00 64 F 8.43 4.50 0.00 3.25 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 65 F 7.35 3.77 0.00 3.08 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 66 G 8.18 3.64 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 0.00 0.00 0.00 67 G 7.87 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 68 L 7.63 3.87 0.00 1.15 0.38 0.52 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.19 3.57 1.80 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 0.95 0.00 0.00 0.18 0.00 0.00 70 S 7.78 4.13 0.00 3.94 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 71 F 8.18 4.43 0.00 3.18 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 72 I 7.72 3.56 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.99 1.15 0.00 0.00 73 T 7.38 4.40 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 74 S 8.10 4.15 0.00 4.04 4.18 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 75 G 6.89 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 76 P 0.00 4.84 0.00 2.26 2.19 0.00 3.62 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 2.06 1.96 0.00 77 V 9.32 4.67 2.33 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 1.06 0.00 0.00 1.00 0.00 0.00 78 V 8.44 4.65 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 0.83 0.00 0.00 0.94 0.00 0.00 79 A 8.71 4.89 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 80 M 8.73 5.24 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 81 V 7.99 4.71 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 0.93 0.00 0.00 0.63 0.00 0.00 82 F 8.81 5.18 0.00 2.71 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 83 E 9.88 5.16 0.00 1.98 1.80 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 2.22 2.36 0.00 84 G 8.36 4.75 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 85 K 8.07 4.37 0.00 1.93 2.10 0.00 2.12 0.00 0.00 1.89 0.00 0.00 3.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.44 7.81 86 G 9.08 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 0.00 0.00 0.00 0.00 87 V 7.28 3.01 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 0.71 0.00 0.00 -0.36 0.00 0.00 88 V 7.96 3.44 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 0.98 0.00 0.00 0.92 0.00 0.00 89 A 7.90 4.06 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 90 S 8.42 4.13 0.00 4.16 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 91 A 8.65 4.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.81 3.94 0.00 2.06 2.02 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 93 L 7.88 4.02 0.00 1.77 1.95 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 M 8.24 4.20 0.00 1.96 2.33 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 95 I 7.55 3.85 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.97 0.00 0.00 96 G 8.03 4.13 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 97 V 7.84 4.36 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 0.74 0.00 0.00 0.99 0.00 0.00 98 T 8.61 3.91 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 1.20 0.00 0.00 99 N 7.95 4.67 0.00 2.73 2.69 0.00 0.00 7.17 7.71 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 0.00 100 P 0.00 4.31 0.00 2.28 2.22 0.00 3.65 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 2.31 2.14 0.00 101 L 7.96 3.97 0.00 1.78 1.72 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.57 4.45 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 0.00 103 S 7.64 4.44 0.00 3.98 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 0.00 104 A 8.55 4.20 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 0.00 105 P 0.00 4.40 0.00 1.89 1.94 0.00 3.61 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 1.99 2.05 0.00 106 G 9.38 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 0.00 107 S 7.92 4.68 0.00 4.20 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 0.00 108 I 8.41 3.76 1.96 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 1.61 1.14 1.13 0.00 0.00 109 R 8.36 4.20 0.00 1.94 2.01 0.00 3.14 0.00 0.00 3.51 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 110 G 7.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.25 0.00 1.81 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 0.00 112 F 7.89 5.03 0.00 3.09 2.98 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 0.00 113 G 8.09 4.34 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 0.00 114 V 8.23 4.32 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 0.83 0.00 0.00 0.94 0.00 0.00 115 D 7.79 4.90 0.00 2.72 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.55 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 0.77 0.00 0.00 0.95 0.00 0.00 117 G 7.91 3.64 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 0.00 0.00 0.00 118 R 7.75 4.50 0.00 1.70 1.81 0.00 3.20 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 119 N 8.07 4.84 0.00 2.85 3.11 0.00 0.00 6.42 7.81 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 0.00 120 I 8.95 3.77 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.97 0.00 0.00 121 I 6.58 5.19 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.22 0.99 0.00 0.00 *123 G 8.53 3.69 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 0.00 0.00 0.00 124 S 8.30 4.29 0.00 3.96 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 0.00 125 D 8.63 4.72 0.00 2.80 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 0.00 126 S 7.88 4.58 0.00 4.06 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 0.00 127 V 8.23 3.57 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 1.02 0.00 0.00 0.93 0.00 0.00 128 E 8.13 4.09 0.00 2.10 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 2.40 2.43 0.00 129 S 8.26 4.17 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.60 4.33 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 0.00 131 N 8.64 4.27 0.00 2.86 2.89 0.00 0.00 6.70 7.63 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 0.00 132 R 8.02 3.88 0.00 2.01 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 133 E 8.61 3.96 0.00 2.01 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 2.33 2.43 0.00 134 I 7.98 3.80 1.96 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 1.58 0.97 0.93 0.00 0.00 135 A 7.72 4.07 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 0.00 136 L 7.57 4.01 0.00 2.03 1.88 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.69 4.21 0.00 3.03 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 0.00 138 F 8.11 5.10 0.00 3.17 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 0.00 139 K 9.49 4.46 0.00 1.82 1.98 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.44 1.58 7.81 140 P 0.00 4.49 0.00 2.19 2.13 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 141 E 8.18 4.07 0.00 1.97 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 2.33 2.41 0.00 142 E 8.55 4.42 0.00 2.36 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 0.00 2.41 2.37 0.00 143 L 7.41 4.87 0.00 1.59 1.43 0.90 0.36 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 0.00 144 L 8.43 4.14 0.00 1.57 1.57 0.89 1.15 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 0.00 145 T 8.51 4.15 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 1.20 0.00 0.00 146 E 7.93 4.32 0.00 2.07 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 2.21 2.33 0.00 147 V 8.04 4.23 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 0.96 0.00 0.00 0.97 0.00 0.00 148 K 8.43 4.43 0.00 1.74 1.72 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.35 7.81 149 P 0.00 4.70 0.00 2.39 2.29 0.00 3.85 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 2.19 2.21 0.00 150 N 8.54 4.39 0.00 2.74 2.71 0.00 0.00 6.64 7.71 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 0.00 151 P 0.00 4.51 0.00 2.24 2.19 0.00 3.82 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 2.00 2.00 0.00 152 N 9.10 4.73 0.00 2.84 2.85 0.00 0.00 6.93 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 0.00 153 L 7.64 4.08 0.00 1.55 0.89 0.87 0.53 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 0.00 154 Y 7.49 4.81 0.00 2.97 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 0.00 155 E 8.90 4.17 0.00 1.96 1.88 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 2.33 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.