NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0760 8.3393 108.0203 45.4006 0.0000 176.9350 2 P 4.4502 0.0000 0.0000 62.5861 32.4851 174.4280 3 H 5.3843 8.7474 118.9063 54.6718 32.4945 174.4957 4 S 5.3710 9.0424 113.3298 57.7673 66.7905 173.0291 5 M 5.2447 9.2573 117.8578 53.9973 34.8606 174.1824 6 R 4.9511 9.3322 119.5215 54.7294 35.2550 173.5341 7 Y 4.6331 8.3722 123.2054 56.0354 41.9881 173.3648 8 Y 5.3453 9.1278 124.4842 56.3310 41.5088 174.6710 9 E 5.1856 9.3836 122.0405 54.8672 33.8304 174.7903 10 T 5.0926 8.6411 113.5790 59.8482 72.8211 172.7096 11 A 5.1375 8.9875 124.7241 50.6897 22.9286 174.9730 12 T 5.0731 8.8900 119.5804 61.3779 71.2264 174.2397 13 S 4.6159 8.7624 121.9072 58.6323 63.8652 174.1429 14 R 4.5051 8.3835 119.7349 54.6135 32.1279 176.1161 15 R 4.7010 7.8496 118.1102 55.2582 30.3673 173.3887 16 G 3.7521 9.0091 119.8907 45.3286 0.0000 173.5965 17 L 3.1698 9.3577 128.7200 55.5606 40.5353 172.0939 18 G 4.0548 8.6255 116.2386 45.9275 0.0000 172.6491 19 E 4.4141 8.4571 120.8888 54.4864 30.7002 174.8321 20 P 4.6259 0.0000 0.0000 62.5321 32.3758 176.1006 21 R 4.2018 8.8059 124.9985 56.4400 31.3619 174.3557 22 Y 5.2733 9.4015 128.0372 56.0050 41.6627 174.3114 23 T 5.1346 8.2194 116.0807 60.0598 72.9240 172.8331 24 S 5.1755 8.9339 116.9729 57.2070 66.9537 173.2354 25 V 4.4305 9.0216 121.4620 60.2047 34.9471 173.5526 26 G 3.2494 7.8473 110.5951 44.1452 0.0000 171.5731 27 Y 5.6565 9.3052 119.5141 56.0007 42.5589 174.4944 28 V 4.4733 9.1781 123.7439 62.5624 33.4476 174.6289 29 D 4.8539 10.4634 133.8126 53.5843 39.7091 174.9715 30 D 4.9341 7.1299 117.2423 54.0584 43.8405 176.1225 31 K 4.7107 7.8196 119.6603 54.1242 34.7699 175.5807 32 E 4.6057 9.1361 125.0121 56.3511 30.0793 176.1581 33 F 5.0197 8.2550 119.1886 56.4127 39.8355 175.0990 34 V 4.4550 6.2658 119.5151 60.8574 34.1474 172.8070 35 R 4.9152 8.0700 116.5443 55.6755 32.0255 173.6976 36 F 4.7514 9.3220 122.3456 56.8924 43.4906 172.6551 37 D 5.2006 7.6338 124.2388 52.5154 43.7984 175.8786 38 S 4.2633 9.3301 121.4508 61.0793 63.0840 175.7738 39 D 4.4360 8.2378 120.4788 57.2278 41.8303 177.6056 40 A 3.8582 7.5035 119.1440 54.1707 17.5229 178.5626 *62 R 4.3933 8.9647 113.2768 54.6670 32.0083 177.7425 63 I 4.4084 7.6988 115.8560 60.5244 38.1325 176.3417 64 T 4.2734 7.7979 109.5712 62.6393 69.0625 176.0587 65 Q 3.9799 7.9766 121.5105 59.0115 28.6454 178.4685 66 V 3.4792 7.7182 118.6442 65.7611 31.5391 177.5561 67 A 3.5525 7.7397 119.9595 55.1249 18.0485 179.5346 68 K 3.8995 7.7100 116.8838 59.4181 32.1167 179.7461 69 G 3.5818 7.8370 105.8539 47.9766 0.0000 175.7247 70 Q 4.0917 8.1750 121.2724 58.6084 28.6691 178.5636 71 E 3.8504 7.9930 119.8947 59.6475 29.4115 179.6492 72 Q 3.9757 8.0813 117.7886 58.6132 28.8180 178.3390 73 W 3.9814 8.2651 129.3710 60.7857 30.7243 178.0783 74 F 4.2042 9.1317 117.9751 60.3269 37.8062 177.7716 75 R 3.9238 8.3143 118.6801 59.4434 30.0147 178.7769 76 V 3.4524 7.9437 118.4121 66.0329 31.5440 177.5776 77 N 4.0102 7.5936 115.4762 55.2220 38.1459 177.4814 78 L 3.9164 7.7797 121.0191 57.3765 41.5041 179.3764 79 R 3.7636 7.4683 117.7770 59.5890 30.0782 178.5120 80 T 3.4954 7.2278 114.9298 66.7017 68.4429 176.5346 81 L 3.5335 7.2971 120.4449 57.3446 41.3218 179.3401 82 L 4.0826 7.5155 120.5879 58.2014 42.0716 179.4055 83 G 3.5542 7.7030 105.7177 47.9380 0.0000 175.3127 84 Y 4.2704 7.6503 118.2592 60.6691 37.9306 177.3983 85 Y 4.4242 8.0395 114.3342 56.4977 39.0843 174.8632 86 N 4.1565 7.7825 117.7352 54.5717 38.0350 173.7577 87 Q 4.6334 8.0928 115.2518 54.1963 30.8334 176.7814 88 S 4.1124 8.5861 116.6677 59.0999 63.3284 174.8889 89 A 4.4995 8.3493 127.2789 51.1236 18.0121 176.6191 90 G 4.7334 8.0764 121.4840 47.3019 0.0000 172.3371 91 G 4.1013 7.8958 107.7266 45.1669 0.0000 171.6865 92 T 4.6081 8.0977 112.9848 60.4984 69.9921 173.7186 93 H 5.0776 8.7282 123.3697 54.4831 33.8641 172.2250 94 T 5.1897 9.4332 117.5363 61.7344 71.7443 172.8049 95 L 5.6103 9.2211 127.8399 53.4816 45.2700 174.8933 96 Q 5.4343 9.8435 126.6259 54.5605 33.2425 173.6492 97 R 4.9425 9.5015 123.5244 54.8492 34.0859 173.4954 98 M 5.1676 8.9209 124.8809 54.0750 35.9384 173.3491 99 Y 5.5427 8.4274 122.6370 54.4955 42.7469 174.9860 100 G 4.1957 8.1957 104.6679 46.6568 0.0000 170.1200 101 C 5.6056 8.0937 113.1572 54.9993 41.0071 172.6173 102 D 5.5602 9.0938 119.7442 52.7399 43.5602 175.7071 103 V 4.8946 9.3929 117.0486 59.5257 35.5637 176.1347 104 G 4.1924 9.2887 114.0205 44.0725 0.0000 174.8824 105 S 4.0741 8.6020 113.5955 61.2522 61.3772 174.9364 106 D 4.5843 8.2012 118.7388 52.8797 39.1899 176.9298 107 G 3.9923 8.2306 106.7614 46.7062 0.0000 173.8047 108 R 4.3272 7.2931 119.1220 54.1508 31.1630 175.4726 109 L 4.3178 8.3998 126.5449 55.3867 42.3224 176.2329 110 L 4.4560 8.9171 126.8949 56.5689 43.1506 177.3754 111 R 4.2404 7.6741 115.5200 55.2919 33.2337 173.7597 112 G 4.5890 8.5550 113.1000 44.8665 0.0000 172.2390 113 Y 4.8818 8.6390 119.3756 56.1029 42.2768 174.8201 114 E 5.1553 8.7013 121.8708 56.0672 31.8085 173.5764 115 Q 5.4463 9.2208 124.8569 54.8068 32.8041 173.7052 116 F 5.6465 10.2205 118.8977 55.9194 43.1463 174.0667 117 A 5.4532 9.4346 122.5663 50.4838 22.8642 174.2898 118 Y 5.2246 9.2171 122.5242 56.3520 41.8224 175.4437 119 D 4.2273 10.2991 128.0504 55.4028 39.0351 174.9222 120 G 3.9767 8.5735 104.5899 45.7090 0.0000 173.7059 121 C 4.9583 7.8282 117.3847 57.2425 30.9081 173.3837 122 D 4.8546 8.7907 122.8450 55.3724 40.3162 174.0351 123 Y 4.8737 8.7299 121.6091 58.3595 41.2734 174.4048 124 I 5.0597 7.8847 117.5496 59.6587 42.3093 172.9137 125 A 5.5239 9.0513 128.2459 50.3672 23.0318 175.1415 126 L 3.8860 8.9080 124.1467 54.7998 42.8211 176.8044 127 N 4.6529 8.8354 124.1498 52.6093 39.6615 176.1268 128 E 3.8144 8.7147 119.3825 59.3898 29.5536 178.4138 129 D 4.3753 7.9436 116.2715 53.7118 39.7476 176.0705 130 L 3.4782 7.6703 118.7444 55.7214 39.8009 175.4675 131 R 4.4993 8.4998 116.8980 55.6151 32.7800 175.5590 132 T 4.7529 7.6561 106.5228 59.4431 72.4489 172.7982 133 W 5.3276 8.8216 122.0296 55.4459 32.0599 175.4224 134 T 4.5017 9.3120 121.2651 62.4623 68.8650 173.6570 135 A 4.5795 8.5368 128.9234 50.3465 19.8020 177.3620 136 A 4.2913 8.8019 126.3177 55.2972 19.1987 176.4763 137 D 4.6131 7.2239 109.1781 51.7167 42.4421 175.3367 138 M 4.0790 8.7060 117.2553 58.4560 31.7271 178.6032 139 A 3.5997 7.8559 120.2615 55.0702 18.5790 179.3992 140 A 3.2589 8.2432 120.3665 54.0784 18.1016 179.7543 141 Q 3.7705 7.4794 116.8078 58.5808 28.6618 178.7666 142 I 3.4498 7.3570 121.1584 64.5161 37.0334 178.4672 143 T 3.4317 7.4004 115.9283 66.3415 68.2347 176.3539 144 R 3.5085 7.5851 120.6337 59.3302 30.0583 178.3379 145 R 3.8522 7.9637 118.4991 59.4683 30.1239 178.3118 146 K 3.9634 8.0008 119.2432 59.4244 32.1277 178.7880 147 W 4.3989 8.4902 119.6741 59.6047 28.9849 178.4962 148 E 4.2196 8.8065 119.3102 59.5174 28.6778 179.3300 149 Q 4.1206 8.1039 117.2384 58.5651 28.9131 177.8687 150 A 4.3041 8.0620 120.2431 52.2329 19.1413 177.3018 151 G 3.8181 8.0408 104.8319 47.0347 0.0000 176.2519 152 A 3.9879 8.4748 123.4821 54.8789 18.4313 179.7401 153 A 4.1485 8.5494 118.9187 55.2804 18.4495 179.2817 154 E 3.9588 8.3623 117.5242 59.5535 29.6974 178.2744 155 Y 4.1394 8.2329 119.7279 60.7372 38.9202 177.1508 156 Y 3.9892 8.2639 120.4627 60.9784 38.6699 178.5896 157 R 4.2446 8.1299 118.4514 58.6553 30.2360 178.6672 158 A 3.7791 7.9291 119.7163 54.3335 18.5457 177.0031 159 Y 4.2023 7.5986 112.4240 59.5760 39.9784 176.9881 160 L 4.2137 6.6320 115.8041 54.9355 42.2741 174.8930 161 E 3.8466 8.0750 121.8635 57.9269 29.1511 176.7430 162 G 3.5657 7.5523 103.8660 47.9854 0.0000 175.1727 163 E 4.0209 7.9021 121.0146 59.0271 29.3222 178.7758 164 C 4.4324 8.0822 118.2194 59.5856 44.7502 175.6384 165 V 3.6098 7.8954 119.8230 66.1460 31.0917 177.5348 166 E 3.9868 8.5307 119.4173 59.0064 29.1605 178.7117 167 W 3.9442 8.2214 127.5646 60.4230 31.0039 177.7200 168 L 4.2081 8.3523 118.9059 57.9916 41.4985 178.2478 169 H 4.3095 8.0225 118.1418 59.0469 29.9941 175.5676 170 R 3.9752 7.2684 120.9648 56.4079 29.6784 175.9050 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 1 G 8.34 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 2 P 0.00 4.45 0.00 2.21 2.06 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 3 H 8.75 5.38 0.00 3.15 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 9.04 5.37 0.00 4.18 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 5 M 9.26 5.24 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 6 R 9.33 4.95 0.00 1.87 1.67 0.00 2.91 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 7 Y 8.37 4.63 0.00 2.11 1.43 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 0.00 0.00 0.00 0.00 8 Y 9.13 5.35 0.00 2.82 2.80 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 9 E 9.38 5.19 0.00 2.16 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 2.38 2.42 0.00 10 T 8.64 5.09 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 11 A 8.99 5.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.89 5.07 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 1.27 0.00 0.00 13 S 8.76 4.62 0.00 3.95 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 14 R 8.38 4.51 0.00 2.00 1.90 0.00 3.37 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 15 R 7.85 4.70 0.00 1.80 1.88 0.00 3.37 0.00 0.00 3.88 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 16 G 9.01 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 17 L 9.36 3.17 0.00 1.75 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.63 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 19 E 8.46 4.41 0.00 2.01 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 2.31 2.30 0.00 20 P 0.00 4.63 0.00 2.04 2.07 0.00 3.74 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 2.10 2.14 0.00 21 R 8.81 4.20 0.00 1.94 1.82 0.00 3.02 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 22 Y 9.40 5.27 0.00 3.00 2.84 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 23 T 8.22 5.13 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 1.11 0.00 0.00 24 S 8.93 5.18 0.00 4.06 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 25 V 9.02 4.43 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 0.66 0.00 0.00 0.20 0.00 0.00 26 G 7.85 3.25 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 0.00 27 Y 9.31 5.66 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.18 4.47 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 1.08 0.00 0.00 0.78 0.00 0.00 29 D 10.46 4.85 0.00 2.80 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 30 D 7.13 4.93 0.00 2.64 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 31 K 7.82 4.71 0.00 1.93 1.78 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 32 E 9.14 4.61 0.00 2.13 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 2.06 1.86 0.00 33 F 8.26 5.02 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 6.27 4.46 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 -0.30 0.00 0.00 0.89 0.00 0.00 35 R 8.07 4.92 0.00 1.65 1.67 0.00 2.92 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 36 F 9.32 4.75 0.00 3.10 2.91 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 37 D 7.63 5.20 0.00 2.67 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 38 S 9.33 4.26 0.00 4.08 4.35 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 39 D 8.24 4.44 0.00 2.99 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 40 A 7.50 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 R 8.96 4.39 0.00 1.99 2.15 0.00 3.04 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 63 I 7.70 4.41 1.92 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 1.50 0.95 0.99 0.00 0.00 64 T 7.80 4.27 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 1.36 0.00 0.00 65 Q 7.98 3.98 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 66 V 7.72 3.48 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 1.06 0.00 0.00 0.90 0.00 0.00 67 A 7.74 3.55 0.56 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 68 K 7.71 3.90 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.61 7.81 69 G 7.84 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 70 Q 8.18 4.09 0.00 1.73 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.75 0.00 71 E 7.99 3.85 0.00 2.02 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 2.23 1.68 0.00 72 Q 8.08 3.98 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 73 W 8.27 3.98 0.00 3.39 3.34 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 74 F 9.13 4.20 0.00 3.44 3.32 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 0.00 75 R 8.31 3.92 0.00 2.09 2.05 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 76 V 7.94 3.45 1.85 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 0.73 0.00 0.00 0.86 0.00 0.00 77 N 7.59 4.01 0.00 1.90 2.12 0.00 0.00 7.06 6.44 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 78 L 7.78 3.92 0.00 1.94 1.75 1.13 0.77 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 79 R 7.47 3.76 0.00 1.81 2.01 0.00 3.02 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 80 T 7.23 3.50 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 0.28 0.00 0.00 81 L 7.30 3.53 0.00 0.96 0.72 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.52 4.08 0.00 1.82 1.75 0.92 1.14 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 83 G 7.70 3.55 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 0.00 0.00 0.00 84 Y 7.65 4.27 0.00 2.77 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 85 Y 8.04 4.42 0.00 3.11 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 86 N 7.78 4.16 0.00 2.84 2.86 0.00 0.00 7.06 7.00 0.00 0.00 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 Q 8.09 4.63 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 88 S 8.59 4.11 0.00 3.89 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 89 A 8.35 4.50 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 90 G 8.08 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.90 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 0.00 0.00 0.00 0.00 92 T 8.10 4.61 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 1.14 0.00 0.00 93 H 8.73 5.08 0.00 3.24 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.43 5.19 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 1.31 0.00 0.00 95 L 9.22 5.61 0.00 2.05 1.94 1.27 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.84 5.43 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 97 R 9.50 4.94 0.00 1.96 1.93 0.00 2.82 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 98 M 8.92 5.17 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 99 Y 8.43 5.54 0.00 3.35 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 0.00 100 G 8.20 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 0.00 0.00 0.00 0.00 101 C 8.09 5.61 0.00 3.18 3.32 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 0.00 102 D 9.09 5.56 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 103 V 9.39 4.89 2.14 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 0.85 0.00 0.00 1.07 0.00 0.00 104 G 9.29 4.19 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 0.00 105 S 8.60 4.07 0.00 3.98 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 0.00 106 D 8.20 4.58 0.00 2.85 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 0.00 107 G 8.23 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 0.00 0.00 0.00 108 R 7.29 4.33 0.00 2.10 1.93 0.00 3.09 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 109 L 8.40 4.32 0.00 1.64 1.58 1.06 1.01 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 0.00 110 L 8.92 4.46 0.00 1.69 1.72 0.95 0.90 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 0.00 111 R 7.67 4.24 0.00 1.79 1.62 0.00 2.93 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.64 0.00 112 G 8.56 4.59 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 0.00 0.00 0.00 113 Y 8.64 4.88 0.00 3.17 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 0.00 114 E 8.70 5.16 0.00 1.93 1.74 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 2.54 2.73 0.00 115 Q 9.22 5.45 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.50 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 116 F 10.22 5.65 0.00 3.27 3.29 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 0.00 117 A 9.43 5.45 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 0.00 118 Y 9.22 5.22 0.00 2.88 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 0.00 119 D 10.30 4.23 0.00 2.15 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 0.00 120 G 8.57 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 0.00 121 C 7.83 4.96 0.00 3.13 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 0.00 122 D 8.79 4.85 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.73 4.87 0.00 3.22 3.28 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 0.00 124 I 7.88 5.06 1.45 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 1.07 0.00 0.00 125 A 9.05 5.52 1.41 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 0.00 0.00 126 L 8.91 3.89 0.00 1.19 1.26 -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.84 4.65 0.00 2.87 2.67 0.00 0.00 6.70 7.22 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 0.00 128 E 8.71 3.81 0.00 1.90 1.95 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 2.23 2.26 0.00 129 D 7.94 4.38 0.00 2.73 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 0.00 130 L 7.67 3.48 0.00 1.74 1.76 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.50 4.50 0.00 1.66 1.87 0.00 3.08 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 132 T 7.66 4.75 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 1.25 0.00 0.00 133 W 8.82 5.33 0.00 3.23 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 0.00 134 T 9.31 4.50 4.35 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 1.27 0.00 0.00 135 A 8.54 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.80 4.29 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 0.00 137 D 7.22 4.61 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 M 8.71 4.08 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 139 A 7.86 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.24 3.26 0.59 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 0.00 0.00 141 Q 7.48 3.77 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 142 I 7.36 3.45 1.31 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.52 0.00 0.00 143 T 7.40 3.43 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 -0.53 0.00 0.00 144 R 7.59 3.51 0.00 1.69 1.94 0.00 3.27 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 145 R 7.96 3.85 0.00 1.90 1.98 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 146 K 8.00 3.96 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.53 7.81 147 W 8.49 4.40 0.00 3.25 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 0.00 148 E 8.81 4.22 0.00 2.21 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 0.00 2.55 2.71 0.00 149 Q 8.10 4.12 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 150 A 8.06 4.30 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 0.00 151 G 8.04 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 0.00 152 A 8.47 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.55 4.15 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 0.00 154 E 8.36 3.96 0.00 2.14 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 2.44 2.41 0.00 155 Y 8.23 4.14 0.00 3.16 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 0.00 156 Y 8.26 3.99 0.00 3.29 3.20 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 0.00 157 R 8.13 4.24 0.00 1.97 1.93 0.00 3.17 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 158 A 7.93 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.60 4.20 0.00 2.28 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 6.63 4.21 0.00 0.84 1.15 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.07 3.85 0.00 1.55 1.71 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 2.21 2.36 0.00 162 G 7.55 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 0.00 163 E 7.90 4.02 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 2.35 2.45 0.00 164 C 8.08 4.43 0.00 3.09 3.32 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 0.00 165 V 7.90 3.61 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 0.96 0.00 0.00 1.07 0.00 0.00 166 E 8.53 3.99 0.00 2.09 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 2.37 2.36 0.00 167 W 8.22 3.94 0.00 3.56 3.44 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 0.00 168 L 8.35 4.21 0.00 2.04 1.97 1.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 169 H 8.02 4.31 0.00 3.23 3.54 0.00 6.00 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.27 3.98 0.00 1.73 1.72 0.00 2.95 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.08 0.00 * Residues marked with a * may have inaccurate shift predictions.