NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2655 8.3344 116.7817 57.8051 64.2368 172.6207 1 L 3.9401 8.2112 123.2730 53.4969 41.3705 174.4648 2 I 4.0051 8.1536 121.7552 61.6196 39.5453 176.4012 3 W 4.8727 7.3748 120.5918 57.1127 29.2944 175.7297 4 K 4.4681 9.3733 121.3697 56.4894 33.3028 176.8122 5 R 4.5112 7.7544 116.3801 54.0225 32.2153 175.1995 6 K 4.4119 8.3588 121.4328 54.6290 33.4412 175.2845 7 I 4.5373 7.8445 125.6933 58.6292 41.2375 175.2278 8 T 4.3440 8.0053 116.3544 60.7266 71.4880 175.9840 9 L 3.8882 8.2082 121.5504 57.7624 41.7004 179.1053 10 E 3.8640 8.2361 118.6017 59.5900 29.2935 178.8174 11 A 4.0056 7.8931 119.0777 54.7260 18.4120 179.1115 12 L 3.8239 7.8523 119.0724 58.4948 42.1133 179.1137 13 N 4.5316 8.7728 116.3214 56.0030 38.3429 177.3069 14 A 4.2281 8.0447 122.3399 55.1435 18.1471 179.3807 15 M 4.1141 7.6319 116.8395 58.3284 32.4146 178.3693 16 G 3.9681 8.0123 104.0008 44.1208 0.0000 173.5367 17 E 4.2231 7.4246 121.5160 57.7694 29.8358 177.6182 18 G 4.1425 9.4607 111.8517 45.3091 0.0000 171.8710 19 N 5.0599 7.9390 115.8529 50.3071 40.9540 174.2605 20 M 3.9638 8.8583 116.0463 59.3395 31.8958 178.3095 21 V 3.7129 8.1022 117.5718 66.1795 31.6272 178.1084 22 G 3.6667 8.1631 104.8529 47.8131 0.0000 175.4831 23 F 4.0618 8.6091 119.0339 59.1451 38.9491 176.7309 24 L 4.5428 7.6379 116.4618 53.2358 42.2212 175.8030 25 D 4.3307 7.6544 117.1644 55.3345 38.8236 174.1482 26 I 4.2444 7.7356 119.4867 60.9415 38.2134 176.6560 27 R 4.7890 8.6406 126.5472 54.1486 32.9503 175.1849 28 F 4.5666 9.8855 124.1695 57.5164 39.2357 175.3466 29 E 4.7411 8.8530 121.4073 56.1793 31.4514 175.6172 30 H 4.5652 7.8767 117.3117 55.2878 33.5506 172.1591 31 I 4.5881 8.4398 126.6803 59.9049 39.0967 175.3281 32 G 4.2571 8.9666 118.5779 43.9770 0.0000 172.1459 33 D 4.5880 8.7642 117.9164 57.0885 40.8343 177.8498 34 D 4.2157 7.7118 116.4451 52.5850 40.1181 174.6919 35 T 5.2440 7.9756 114.1145 63.2539 73.5333 172.5862 36 L 5.4155 9.0226 124.7049 53.6584 46.0262 174.9579 37 E 5.9221 9.8392 124.1230 53.6796 33.7800 174.6149 38 A 5.0053 8.4163 123.0185 50.7210 23.0643 174.9902 39 T 5.0643 8.8492 116.5941 62.1844 72.2838 173.2486 40 M 5.0422 8.5787 122.8503 53.3671 35.9115 172.5883 41 P 4.7139 0.0000 0.0000 63.0481 32.7246 176.6828 42 V 4.2806 8.6484 123.6257 61.6043 30.7776 174.4982 43 D 4.7790 8.8489 126.0816 51.5094 42.1215 176.5702 44 S 4.1582 8.8256 112.1414 61.7314 62.8332 175.4494 45 R 4.2132 8.3357 119.1434 57.7214 30.3384 177.0361 46 T 4.5877 8.3161 106.8270 60.8584 69.5432 173.4834 47 K 4.9439 7.8714 120.9848 55.1208 34.2748 175.8997 48 Q 4.5129 8.7666 120.3214 54.1410 30.1742 174.8524 49 P 4.1674 0.0000 0.0000 65.5777 31.2055 177.3497 50 F 4.4240 8.9459 115.5868 57.1996 38.6356 176.5826 51 G 3.9438 8.2893 108.1511 45.6157 0.0000 173.4690 52 L 4.9502 7.6214 118.5853 51.8431 45.6714 175.4149 53 L 4.3369 8.7917 123.2663 56.0451 42.6768 176.2010 54 H 4.2057 9.6195 127.7391 55.8860 30.4439 176.1209 55 G 3.7195 9.1493 113.4424 48.0570 0.0000 175.3082 56 G 3.6410 8.5348 107.0197 47.5575 0.0000 175.4221 57 A 3.9747 8.0386 123.0907 55.1568 18.4107 179.7861 58 S 4.1163 8.0987 113.1257 61.9384 62.8451 177.0897 59 V 3.6466 7.7593 120.5486 65.6263 31.1801 178.3291 60 V 3.5522 7.9839 118.6078 65.7304 31.3868 177.6616 61 L 3.8509 8.3850 120.2009 58.0689 41.8895 178.7043 62 A 3.9756 8.0480 120.5334 55.3898 18.3224 179.3020 63 E 3.9635 8.5170 118.0075 59.3989 29.5407 179.2052 64 S 4.1505 8.2636 115.4567 61.5257 62.8536 176.7848 65 I 4.1705 8.0104 122.5979 64.4753 36.9753 178.6386 66 G 3.3787 8.3866 106.9960 47.6580 0.0000 175.5363 67 S 4.0639 8.2468 115.5373 61.4308 62.3858 176.8314 68 V 3.6392 7.4012 113.4191 64.1302 31.0052 178.3718 69 A 3.7386 7.6452 119.9357 55.0431 18.1766 179.5869 70 G 4.0513 7.6140 104.1339 48.1900 0.0000 175.3333 71 Y 4.2809 7.8752 121.3857 60.5427 38.8696 177.9154 72 L 3.7771 8.3222 119.8063 56.8761 41.2817 178.0234 73 C 4.9050 7.5572 115.8334 58.7122 28.7799 173.1154 74 T 4.7090 7.3890 110.6634 59.6578 71.1138 173.1731 75 E 4.5618 9.0355 121.5045 55.1798 32.7129 176.7917 76 G 3.7213 8.2263 107.4256 47.3932 0.0000 174.3898 77 E 4.4507 8.6269 123.9630 56.5206 29.6011 176.0806 78 Q 4.7726 7.5110 118.5153 56.5907 29.4354 175.5426 79 K 4.8538 9.0020 118.7321 55.6857 37.2708 175.4112 80 V 4.8732 8.4667 114.4975 59.6341 34.9503 175.6535 81 V 4.4742 8.8848 123.2894 59.5936 34.4651 174.9993 82 G 3.9164 8.8400 112.0559 46.8028 0.0000 172.6915 83 L 4.6858 9.4047 127.0826 56.3263 42.2841 176.7318 84 E 4.8578 7.8562 115.2701 54.9671 33.1922 173.1201 85 I 5.3588 8.2532 120.2619 59.6518 41.7085 173.6929 86 N 5.2339 9.0023 123.0869 51.8329 40.9942 172.9503 87 A 5.1344 8.3214 119.9401 51.0543 22.6460 175.1647 88 N 4.7902 9.0877 118.5613 51.7395 41.3790 173.7011 89 H 5.0091 8.7413 121.6288 55.2440 29.0262 175.4168 90 V 4.2899 8.2149 116.6513 61.0543 32.6900 176.4226 91 R 4.3417 7.5376 117.5163 55.4533 32.4923 174.0874 92 S 4.5589 8.5510 119.0582 57.4688 64.9057 172.8751 93 A 4.7666 8.0092 121.7263 50.7968 21.7171 176.7426 94 R 4.7461 8.3328 114.3874 55.3579 31.0531 174.5315 95 E 4.6601 8.1489 114.6093 56.6293 33.0320 176.8318 96 G 4.0538 9.1333 106.8959 45.6867 0.0000 174.0768 97 R 5.1408 8.2431 122.3811 54.6620 34.6032 173.9766 98 V 4.6951 8.7963 113.4893 59.6302 35.6085 174.7387 99 R 5.0089 9.4280 124.0056 54.5872 32.8350 174.5154 100 G 4.3923 9.3801 114.0562 44.7179 0.0000 172.5947 101 V 4.8645 8.9536 124.5246 61.3218 34.5896 173.6022 102 C 5.3875 9.2586 130.0780 58.0091 33.0511 172.5604 103 K 5.3202 9.4628 125.9893 53.9266 35.7039 173.6790 104 P 4.0832 0.0000 0.0000 62.4533 31.7908 175.6455 105 L 4.5146 8.1186 121.6228 55.9889 43.9962 176.6366 106 H 4.5005 7.3974 117.6599 54.2557 33.1557 174.0189 107 L 4.4896 7.5474 125.9651 53.1087 41.8393 175.3066 108 G 3.8111 7.0561 108.1548 45.6016 0.0000 172.8602 109 S 4.3760 8.4741 112.6084 59.7248 63.6924 175.2300 110 R 4.6104 7.9414 118.3433 56.4004 32.3642 174.4840 111 H 5.4053 7.7138 111.5468 54.6164 32.0871 172.3636 112 Q 4.7762 9.1188 117.0860 54.1793 33.6219 174.3263 113 V 4.8190 8.3767 120.7489 60.9873 34.5674 174.3735 114 W 5.0773 9.7371 127.3669 54.8383 32.9585 174.1000 115 Q 5.1368 9.4475 124.4815 54.4519 31.3938 174.1087 116 I 5.1615 9.3124 127.1060 59.6090 40.6875 174.1290 117 E 4.9149 9.1142 126.4664 54.4915 32.4978 174.9194 118 I 4.8236 8.6288 125.3912 59.7044 39.4432 174.8519 119 F 5.4453 9.5035 126.0640 55.8350 42.7531 175.4185 120 D 4.7861 8.7056 121.0062 52.4035 41.8815 176.4946 121 E 3.9539 8.9966 116.8687 60.0120 29.4013 178.3095 122 K 4.1907 8.1592 114.6537 56.4594 32.2224 177.4452 123 G 3.8406 8.2572 107.1262 45.7941 0.0000 173.6789 124 R 4.4718 8.6143 119.7293 54.3720 31.1027 175.8786 125 L 4.0639 8.6917 124.8939 55.4699 42.7614 175.8681 126 C 4.8049 8.9632 123.4174 60.6304 31.3954 173.5526 127 C 5.7337 7.5274 117.6302 58.4169 34.9856 172.5090 128 S 5.0364 8.6784 120.1808 56.5668 64.8630 172.4079 129 S 5.2219 9.2882 121.1783 56.6710 66.4902 172.5475 130 R 5.2563 8.9633 123.0122 54.3047 33.8639 174.1570 131 L 5.2691 9.2487 125.0798 53.6133 45.5230 174.9046 132 T 5.2154 9.1870 123.4703 62.1022 70.9875 173.6461 133 T 5.2604 9.2547 116.0304 59.8263 72.7672 172.5013 134 A 5.1971 9.2087 123.8048 50.2893 22.1307 175.3424 135 I 4.7581 8.5104 122.4266 60.1176 38.8022 175.2671 136 L 4.7115 9.5407 128.2528 52.8675 43.4066 176.3669 137 E 4.4638 8.9484 123.4917 57.0874 30.2759 176.2327 138 G 4.0716 8.5963 106.8550 46.2947 0.0000 172.6000 139 G 4.6453 8.9855 107.3735 44.5315 0.0000 173.7634 140 S 4.4448 8.3209 113.8323 57.9702 63.2038 173.0260 141 H 4.9356 8.3707 122.2122 53.7726 31.3316 173.7308 142 H 4.3442 8.6193 122.6781 56.6164 30.4338 174.1119 143 H 4.7710 7.4364 118.1903 53.9980 31.3274 172.9386 144 H 4.4763 8.6135 121.2721 57.0915 29.4035 175.9715 *145 H 4.3363 8.5336 118.4900 55.3566 28.5587 172.8200 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 0 S 8.33 4.27 0.00 3.80 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 1 L 8.21 3.94 0.00 1.65 1.58 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.15 4.01 1.64 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.36 0.65 0.00 0.00 3 W 7.37 4.87 0.00 3.32 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 4 K 9.37 4.47 0.00 1.80 1.85 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 R 7.75 4.51 0.00 1.53 1.65 0.00 2.22 0.00 0.00 2.63 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 6 K 8.36 4.41 0.00 1.65 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81 7 I 7.84 4.54 1.72 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 1.34 0.82 0.63 0.00 0.00 8 T 8.01 4.34 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 1.18 0.00 0.00 9 L 8.21 3.89 0.00 1.70 1.77 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.24 3.86 0.00 2.02 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 2.37 2.39 0.00 11 A 7.89 4.01 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 12 L 7.85 3.82 0.00 1.75 1.67 0.38 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.77 4.53 0.00 2.83 2.91 0.00 0.00 6.98 7.47 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 14 A 8.04 4.23 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 15 M 7.63 4.11 0.00 1.93 2.27 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 16 G 8.01 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 0.00 0.00 0.00 17 E 7.42 4.22 0.00 1.96 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 2.35 2.47 0.00 18 G 9.46 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 0.00 0.00 0.00 19 N 7.94 5.06 0.00 2.94 2.93 0.00 0.00 6.46 7.15 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 20 M 8.86 3.96 0.00 2.10 2.11 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 2.69 2.64 0.00 21 V 8.10 3.71 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 1.07 0.00 0.00 0.98 0.00 0.00 22 G 8.16 3.67 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 0.00 0.00 0.00 23 F 8.61 4.06 0.00 3.09 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 24 L 7.64 4.54 0.00 1.65 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.65 4.33 0.00 2.75 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 26 I 7.74 4.24 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.60 0.00 0.00 27 R 8.64 4.79 0.00 1.64 1.80 0.00 3.28 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 28 F 9.89 4.57 0.00 2.96 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.85 4.74 0.00 1.85 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 2.24 2.40 0.00 30 H 7.88 4.57 0.00 3.20 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.44 4.59 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.68 0.00 0.00 32 G 8.97 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 33 D 8.76 4.59 0.00 2.75 2.74 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 34 D 7.71 4.22 0.00 2.54 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 35 T 7.98 5.24 4.41 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 1.43 0.00 0.00 36 L 9.02 5.42 0.00 1.95 1.59 0.91 0.57 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 37 E 9.84 5.92 0.00 2.01 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 0.00 2.32 2.22 0.00 38 A 8.42 5.01 0.54 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 39 T 8.85 5.06 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 1.22 0.00 0.00 40 M 8.58 5.04 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 41 P 0.00 4.71 0.00 2.28 2.02 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 42 V 8.65 4.28 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 0.85 0.00 0.00 0.94 0.00 0.00 43 D 8.85 4.78 0.00 2.83 2.74 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 44 S 8.83 4.16 0.00 4.00 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 45 R 8.34 4.21 0.00 1.97 2.06 0.00 3.30 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 46 T 8.32 4.59 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 47 K 7.87 4.94 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.57 7.81 48 Q 8.77 4.51 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 49 P 0.00 4.17 0.00 1.84 2.01 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 50 F 8.95 4.42 0.00 3.09 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 51 G 8.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.62 4.95 0.00 1.60 1.56 0.91 0.58 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 53 L 8.79 4.34 0.00 1.59 1.65 0.97 0.99 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 54 H 9.62 4.21 0.00 3.23 3.19 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 55 G 9.15 3.72 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 0.00 56 G 8.53 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 57 A 8.04 3.97 1.37 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 0.00 0.00 58 S 8.10 4.12 0.00 4.12 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 59 V 7.76 3.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 60 V 7.98 3.55 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 0.93 0.00 0.00 0.96 0.00 0.00 61 L 8.38 3.85 0.00 1.71 1.82 0.79 0.97 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 62 A 8.05 3.98 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 63 E 8.52 3.96 0.00 2.05 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 2.32 2.38 0.00 64 S 8.26 4.15 0.00 4.07 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 65 I 8.01 4.17 1.89 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 1.34 0.71 1.00 0.00 0.00 66 G 8.39 3.38 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 67 S 8.25 4.06 0.00 4.00 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 68 V 7.40 3.64 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 0.71 0.00 0.00 0.81 0.00 0.00 69 A 7.65 3.74 0.46 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 70 G 7.61 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 0.00 0.00 0.00 71 Y 7.88 4.28 0.00 3.01 3.11 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 72 L 8.32 3.78 0.00 1.65 1.42 -0.06 0.58 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 73 C 7.56 4.91 0.00 3.40 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 74 T 7.39 4.71 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 1.40 0.00 0.00 75 E 9.04 4.56 0.00 2.15 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 2.33 2.23 0.00 76 G 8.23 3.72 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 0.00 77 E 8.63 4.45 0.00 2.05 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 2.40 2.35 0.00 78 Q 7.51 4.77 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 79 K 9.00 4.85 0.00 1.72 1.68 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.52 7.81 80 V 8.47 4.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.06 0.00 0.00 81 V 8.88 4.47 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 0.84 0.00 0.00 0.95 0.00 0.00 82 G 8.84 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 0.00 0.00 0.00 83 L 9.40 4.69 0.00 1.70 1.75 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.86 4.86 0.00 2.05 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 0.00 2.28 2.40 0.00 85 I 8.25 5.36 1.91 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 1.42 1.19 0.93 0.00 0.00 86 N 9.00 5.23 0.00 2.84 2.84 0.00 0.00 6.77 7.34 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 87 A 8.32 5.13 1.14 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 0.00 0.00 88 N 9.09 4.79 0.00 2.63 2.67 0.00 0.00 7.02 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 89 H 8.74 5.01 0.00 3.03 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.21 4.29 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 0.61 0.00 0.00 0.96 0.00 0.00 91 R 7.54 4.34 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 92 S 8.55 4.56 0.00 4.00 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 93 A 8.01 4.77 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 94 R 8.33 4.75 0.00 1.88 2.00 0.00 3.09 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 95 E 8.15 4.66 0.00 2.06 1.93 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 2.18 2.29 0.00 96 G 9.13 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 0.00 0.00 0.00 97 R 8.24 5.14 0.00 1.65 1.91 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 98 V 8.80 4.70 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 0.73 0.00 0.00 0.99 0.00 0.00 99 R 9.43 5.01 0.00 1.85 1.86 0.00 3.09 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 100 G 9.38 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 0.00 0.00 0.00 0.00 101 V 8.95 4.86 2.38 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 1.08 0.00 0.00 1.09 0.00 0.00 102 C 9.26 5.39 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.46 5.32 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.48 7.81 104 P 0.00 4.08 0.00 1.52 1.13 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 105 L 8.12 4.51 0.00 1.55 1.68 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.40 4.50 0.00 3.11 2.95 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.55 4.49 0.00 1.41 1.43 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.06 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 0.00 109 S 8.47 4.38 0.00 4.00 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 0.00 110 R 7.94 4.61 0.00 1.90 2.02 0.00 3.33 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 111 H 7.71 5.41 0.00 3.39 3.37 0.00 5.40 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.12 4.78 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 113 V 8.38 4.82 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 1.06 0.00 0.00 0.93 0.00 0.00 114 W 9.74 5.08 0.00 3.35 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 0.00 115 Q 9.45 5.14 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 116 I 9.31 5.16 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.95 0.00 0.00 117 E 9.11 4.91 0.00 1.93 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 2.18 2.30 0.00 118 I 8.63 4.82 1.87 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 1.21 0.60 0.89 0.00 0.00 119 F 9.50 5.45 0.00 2.94 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 0.00 120 D 8.71 4.79 0.00 2.79 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 0.00 121 E 9.00 3.95 0.00 1.99 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 2.33 2.37 0.00 122 K 8.16 4.19 0.00 1.77 1.85 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 123 G 8.26 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 0.00 124 R 8.61 4.47 0.00 2.28 1.92 0.00 3.16 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 125 L 8.69 4.06 0.00 1.57 1.57 0.40 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.96 4.80 0.00 2.81 3.03 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 0.00 127 C 7.53 5.73 0.00 2.98 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 0.00 128 S 8.68 5.04 0.00 3.82 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 0.00 129 S 9.29 5.22 0.00 3.86 3.62 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 0.00 130 R 8.96 5.26 0.00 2.09 1.80 0.00 3.18 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 131 L 9.25 5.27 0.00 1.80 1.66 1.03 0.80 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 0.00 132 T 9.19 5.22 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 1.33 0.00 0.00 133 T 9.25 5.26 4.47 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 1.40 0.00 0.00 134 A 9.21 5.20 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 0.00 135 I 8.51 4.76 1.93 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 1.33 0.72 0.98 0.00 0.00 136 L 9.54 4.71 0.00 1.47 1.61 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.95 4.46 0.00 1.89 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 2.35 2.31 0.00 138 G 8.60 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 0.00 0.00 0.00 139 G 8.99 4.65 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 0.00 140 S 8.32 4.44 0.00 3.86 3.78 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 0.00 141 H 8.37 4.94 0.00 3.14 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.62 4.34 0.00 3.05 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.44 4.77 0.00 3.14 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.61 4.48 0.00 3.21 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 H 8.53 4.34 0.00 2.87 2.74 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.