NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9983 8.3544 109.7392 45.0733 0.0000 173.0212 2 D 4.5469 7.5370 117.1021 55.2850 47.3800 173.6759 3 T 4.4240 7.5918 109.4110 62.7176 71.6855 170.6171 4 R 4.5581 7.9299 122.9003 53.5396 33.5215 172.7209 5 P 4.0015 0.0000 0.0000 63.1773 31.5206 176.4521 6 R 4.3794 7.9581 122.1488 55.3362 31.3619 176.0359 7 F 4.9458 8.4102 117.3504 56.0068 42.7948 173.8134 8 L 4.9039 9.0861 127.6538 53.2327 44.5928 174.6305 9 Q 5.0693 8.8106 126.1848 54.5187 31.7404 174.3314 10 Q 4.8016 9.0314 123.9595 54.4482 33.6175 173.9900 11 D 5.2031 8.6525 120.8911 52.8761 44.8092 174.8170 12 K 4.6324 9.0676 123.1416 54.5985 35.7201 174.7186 13 Y 5.0575 8.6674 121.1165 56.3357 40.5016 174.7619 14 E 4.6423 9.6083 124.9621 54.7812 32.8364 174.7330 15 C 4.9643 8.5227 120.6199 55.2441 39.8320 171.8535 16 H 4.3126 8.9031 121.0424 54.7069 29.4451 174.0723 17 F 5.1879 8.0508 122.4863 55.7786 40.9834 175.5537 18 F 4.9145 8.9469 124.1205 57.3253 42.4824 173.2894 19 N 4.4360 9.7715 122.8411 53.2936 35.5462 173.6957 20 G 4.1559 9.0084 116.3779 46.0500 0.0000 171.9550 21 T 4.5178 8.8668 109.5056 60.6914 70.1758 174.9268 22 E 3.9225 8.6444 123.9733 59.2722 29.9142 176.1353 23 R 4.7276 8.8396 118.5976 54.7001 32.2112 174.5272 24 V 4.7082 8.4985 125.3740 61.0825 34.6151 174.2238 25 R 4.5421 8.8746 128.7454 54.5854 32.4280 173.8729 26 F 5.2884 8.8595 129.7454 57.1180 41.4228 174.2495 27 L 4.7313 7.9591 126.3629 53.4088 46.0333 174.1682 28 H 5.1496 8.9013 125.5592 54.5169 32.4256 172.4016 29 R 4.9812 8.9137 125.6967 54.3304 33.0140 174.3327 30 D 5.4235 9.0294 124.0929 52.5744 43.7081 174.7914 31 I 4.9830 8.6617 126.3985 59.7143 41.1576 173.7431 32 Y 4.7046 8.8772 128.9039 57.4291 39.4054 173.6763 33 N 4.3247 9.7497 127.9834 52.8332 37.7970 176.1973 34 Q 4.4497 7.0487 116.0569 54.9051 30.2576 173.8872 35 E 4.3808 8.2152 118.1316 53.6365 31.7238 173.7969 36 E 4.3305 8.9472 128.3858 56.7171 29.5443 175.4873 37 D 5.2515 9.1076 126.6896 53.5135 41.7755 176.2647 38 L 5.1495 7.7668 119.5512 53.2874 46.0697 175.2589 39 R 5.0976 8.8953 123.7171 55.0654 34.3544 173.4677 40 F 4.5912 9.3053 128.4447 56.3228 41.6161 172.7856 41 D 4.6750 7.8742 126.9614 52.4784 41.8417 176.9877 42 S 3.7818 8.6603 121.9612 61.4246 63.0711 176.4047 43 D 4.2821 7.5412 118.8218 56.6038 39.3181 177.4290 44 V 3.9288 7.9432 117.3418 61.6932 32.1976 176.2859 45 G 4.1567 7.2234 106.7766 46.2567 0.0000 173.1251 46 E 5.1879 6.6290 113.9196 55.4155 32.4072 175.5763 47 Y 4.6472 9.6625 121.3546 58.9409 39.1196 176.2063 48 R 4.7428 9.2612 122.5432 55.0297 33.7544 174.9641 49 A 4.4696 8.7118 125.8498 50.1390 16.5275 177.6002 50 V 3.7780 8.1100 121.2231 65.7366 32.6262 176.1222 51 T 4.5688 8.2766 111.3914 59.7424 71.6997 175.0257 52 E 3.9969 9.0330 124.0079 61.2490 29.3658 177.6434 53 L 4.5037 8.0774 116.7441 57.1438 42.4508 177.5771 54 G 4.5713 8.6299 103.9395 44.7926 0.0000 174.6559 55 R 3.9200 7.6943 121.2864 59.3335 29.9909 176.3876 56 P 4.3559 0.0000 0.0000 65.7428 31.4579 178.2809 57 D 4.2457 8.0682 116.9428 57.3693 40.6871 178.2057 58 A 4.1159 8.3569 121.4109 55.4998 18.2151 179.2489 59 E 3.9349 8.3433 116.1412 59.9913 29.6860 179.0270 60 Y 4.1962 7.7712 118.4075 60.0289 38.9968 177.2337 61 W 4.9006 8.0859 119.8360 59.3669 29.2354 177.9408 62 N 4.8849 8.5779 112.5593 54.2371 37.5516 175.5585 63 S 4.7423 7.8952 111.5646 58.2823 64.1579 175.1888 64 Q 4.0573 8.6096 121.3088 58.7114 29.0252 176.3948 65 K 4.1774 8.4398 122.4232 57.9989 32.0569 176.5495 66 D 4.3631 8.0218 116.5875 57.7658 41.1018 178.1763 67 F 4.1830 8.2243 120.3462 61.0912 39.2685 176.7159 68 L 3.6398 7.9190 121.1958 58.3702 42.1233 178.9972 69 E 4.0789 8.4421 119.2374 60.7459 29.4225 182.1886 70 D 4.5213 7.9405 118.4852 57.7154 41.0294 179.4531 71 R 3.9104 7.5069 119.4947 59.3461 30.2521 179.7258 72 R 4.3415 8.3146 120.9304 61.4781 29.5972 181.9039 73 A 4.3403 7.4857 121.0976 53.6531 18.2350 179.0557 74 A 3.9283 7.5152 120.7493 54.3868 18.1083 179.9372 75 V 3.5320 7.8613 110.4017 64.5782 30.9539 176.9745 76 D 4.5963 8.3697 117.6819 56.4594 41.4366 178.1668 77 T 4.0934 7.7155 109.4284 63.6976 68.8121 173.7748 78 Y 4.6882 8.1913 121.1016 59.2505 41.0604 176.7128 79 C 4.1798 8.0366 116.4727 60.0753 37.0463 176.3013 80 R 4.0069 7.8946 119.8202 59.3068 29.7079 178.0667 81 H 4.0533 7.9225 117.2832 59.8601 29.7907 176.8336 82 N 4.4153 8.3940 117.7867 56.4792 38.1778 176.7724 83 Y 4.0371 8.0594 120.5760 61.2292 38.7868 177.6317 84 G 3.6949 8.9082 106.7237 47.5138 0.0000 175.7243 85 V 3.6293 7.9854 121.7179 64.9101 32.4549 177.9679 86 G 3.6280 8.2696 103.6028 44.5953 0.0000 175.1050 87 E 4.2890 8.3526 123.9813 59.0242 29.4617 179.4151 88 S 4.1037 7.4667 114.8330 60.9642 63.1433 175.3014 89 F 4.8021 7.5815 113.0496 57.4185 40.7434 176.8764 90 T 3.8537 7.4844 112.2437 62.7975 66.9404 176.5163 91 V 3.6507 8.9743 121.5008 65.4108 32.1767 175.0758 92 Q 4.6610 7.6433 117.5506 55.6522 29.0769 174.9655 93 R 4.5268 8.1747 120.6826 55.5563 31.4210 176.9577 94 R 4.7459 8.5442 125.8599 56.1907 31.6848 173.3391 95 V 4.4040 9.2257 128.1710 59.5226 32.9355 173.3688 96 E 4.3320 8.9107 124.3048 54.9694 30.1605 172.1744 97 P 4.6962 0.0000 0.0000 62.4685 32.6878 177.7503 98 K 4.7787 8.1275 120.8285 54.4802 31.8866 172.2298 99 V 4.1339 7.8534 124.3455 63.1209 32.6713 175.0038 100 T 4.6244 8.0775 114.8673 61.4058 72.4959 171.9642 101 V 4.7116 8.2844 120.5823 61.8308 34.9111 173.3107 102 Y 4.8113 8.2782 122.9237 55.1408 41.5861 171.7591 103 P 4.3145 0.0000 0.0000 62.8093 32.0272 175.1704 104 A 4.3345 9.0265 128.2817 54.6517 20.4971 179.2766 *113 N 4.6944 7.8753 114.3813 53.4404 38.5963 177.9031 114 L 4.8184 7.6059 122.7404 54.3043 41.9206 178.9519 115 L 4.3180 8.3343 126.8223 53.9993 43.7411 177.5089 116 V 4.4837 7.8090 117.3983 62.2966 35.4425 173.0120 117 C 5.0911 8.8571 128.1275 54.9313 43.8180 171.8147 118 S 4.9846 8.3790 121.2708 56.6751 63.9251 172.7574 119 V 4.7127 8.9002 130.6457 61.9834 33.3015 174.6307 120 N 5.2165 9.0933 126.8643 51.4402 40.7487 170.4572 121 G 4.1498 8.1742 113.8755 44.3796 0.0000 173.3578 122 F 5.5374 7.5283 114.7852 54.9544 41.1485 173.8161 123 Y 4.9917 8.3309 116.4672 56.2276 42.1088 171.8406 124 P 3.6269 0.0000 0.0000 61.9842 32.7798 177.1064 125 G 2.1548 7.5947 107.8579 46.1383 0.0000 173.9027 126 S 4.0977 6.9800 115.5107 57.9207 62.8936 172.9011 127 I 4.3114 7.7734 128.0382 60.5060 40.8069 173.9452 128 E 4.5854 9.0960 126.5622 54.7860 32.5854 174.6587 129 V 5.3111 8.1125 124.4712 59.5768 34.9222 174.7814 130 R 4.5481 8.2656 124.5036 55.2226 34.9227 172.5733 131 W 5.3689 8.1346 119.5300 56.8529 31.0178 177.0042 *132 F 4.2645 8.3717 115.3294 57.3910 39.6047 170.6791 *142 V 4.6945 7.6653 120.4958 63.6477 31.3064 173.2872 143 V 4.1587 7.4904 120.5806 60.6089 33.0469 174.0008 144 S 4.7534 8.4602 122.7266 56.6627 62.6453 173.1116 145 T 3.4952 6.9062 117.1805 63.0570 68.8394 175.9126 146 G 3.9977 7.2345 111.3935 43.8280 0.0000 170.6987 147 L 4.3275 8.0151 121.9017 55.0238 43.0598 176.1735 148 I 4.5508 8.9507 126.7136 59.6616 40.4335 174.6059 149 Q 4.0419 8.6286 126.5068 54.4492 28.9980 176.4882 150 N 4.1639 8.5282 123.0150 54.4125 38.8811 177.1141 151 G 3.9278 7.4473 106.4519 45.3551 0.0000 173.2119 152 D 4.7499 7.3159 118.6219 53.9277 39.9954 176.0596 153 W 3.3141 7.8841 114.0294 58.0751 27.0144 175.4882 154 T 4.7553 7.1978 105.8181 61.0759 71.3290 173.4225 155 F 5.2453 9.3032 126.4488 57.5285 41.4873 174.3477 156 Q 5.1029 7.8607 118.7026 57.5212 30.4874 172.5401 157 T 4.8874 8.5755 116.4952 62.0653 71.1283 172.6679 158 L 5.4392 8.4033 127.9657 53.8739 45.6135 177.1123 159 V 4.8530 8.5317 121.8961 60.1258 36.3082 174.6785 160 M 5.1349 8.2911 122.5199 54.7823 35.3582 176.6283 161 L 4.9968 7.9987 126.2040 54.9237 45.4464 173.6850 162 E 3.9409 9.1521 118.6000 57.7790 29.5683 170.8172 *167 S 4.2997 8.0849 115.3690 57.8149 63.7704 175.8094 168 G 3.5340 8.6530 104.1733 47.7737 0.0000 171.2273 169 E 3.3837 7.7088 122.2605 56.6078 29.1061 179.4541 170 V 3.1545 7.4925 119.3244 59.6165 33.6887 172.9495 *171 Y 4.5339 7.2936 126.6300 61.5637 42.0897 170.3302 172 T 4.1745 8.0988 111.8919 65.5767 72.5418 173.4757 173 C 4.9208 7.9626 126.1203 55.6014 46.9468 173.5129 174 Q 4.8696 8.7946 127.7941 55.4059 29.4524 172.2874 175 V 4.7156 8.9811 125.9927 61.4892 35.3561 173.9325 176 E 4.9276 10.5776 126.5442 55.0755 32.5034 170.8190 177 H 5.1382 8.5360 124.9084 52.4281 33.0422 172.5181 178 P 4.4877 0.0000 0.0000 64.6859 31.2551 177.3693 179 S 4.3728 8.3509 113.8898 60.1214 63.4614 173.9109 180 V 4.5975 7.5334 113.4647 59.5226 35.1317 175.9878 181 T 4.0304 8.5997 111.5498 64.2394 69.1419 174.8828 182 S 4.6041 7.7567 117.3757 54.7578 64.2217 171.8701 183 P 4.4578 0.0000 0.0000 63.5652 31.7779 174.4717 184 L 4.8459 8.7401 118.5419 54.4235 46.8838 174.7147 185 T 5.3363 8.0328 109.0193 62.7443 71.5618 172.8970 186 V 4.4016 8.1340 123.2315 62.2791 34.5762 173.9610 187 E 4.5760 8.9635 127.0291 56.2818 30.4115 172.4489 188 W 4.7679 9.1901 135.0000 56.4517 31.8858 176.8121 189 R 3.9294 8.2769 122.9131 55.8203 28.6782 172.5830 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 8.35 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 0.00 0.00 0.00 2 D 7.54 4.55 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.59 4.42 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 4 R 7.93 4.56 0.00 1.83 1.75 0.00 3.32 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 5 P 0.00 4.00 0.00 2.07 1.80 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 6 R 7.96 4.38 0.00 1.64 1.76 0.00 3.25 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 1.58 1.71 0.00 7 F 8.41 4.95 0.00 3.06 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 8 L 9.09 4.90 0.00 1.78 1.51 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.81 5.07 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 10 Q 9.03 4.80 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 11 D 8.65 5.20 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.07 4.63 0.00 1.55 1.61 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 13 Y 8.67 5.06 0.00 3.14 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.61 4.64 0.00 1.55 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 15 C 8.52 4.96 0.00 2.63 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 0.00 0.00 0.00 0.00 16 H 8.90 4.31 0.00 2.90 2.70 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.05 5.19 0.00 2.86 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 18 F 8.95 4.91 0.00 3.01 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 19 N 9.77 4.44 0.00 2.81 2.81 0.00 0.00 6.80 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 20 G 9.01 4.16 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 0.00 21 T 8.87 4.52 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 0.66 0.00 0.00 22 E 8.64 3.92 0.00 1.96 2.36 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 2.39 2.31 0.00 23 R 8.84 4.73 0.00 2.08 2.19 0.00 3.15 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 24 V 8.50 4.71 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 0.89 0.00 0.00 1.28 0.00 0.00 25 R 8.87 4.54 0.00 1.97 1.72 0.00 3.29 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 26 F 8.86 5.29 0.00 3.19 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 27 L 7.96 4.73 0.00 1.50 1.12 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.90 5.15 0.00 3.26 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.91 4.98 0.00 1.64 1.74 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 30 D 9.03 5.42 0.00 2.70 2.66 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 31 I 8.66 4.98 1.90 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 1.12 0.45 1.01 0.00 0.00 32 Y 8.88 4.70 0.00 2.98 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 33 N 9.75 4.32 0.00 2.37 2.60 0.00 0.00 6.84 8.25 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 34 Q 7.05 4.45 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 35 E 8.22 4.38 0.00 1.99 1.78 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 2.23 2.25 0.00 36 E 8.95 4.33 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 37 D 9.11 5.25 0.00 2.89 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 38 L 7.77 5.15 0.00 1.83 1.59 1.21 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.90 5.10 0.00 2.03 1.71 0.00 3.07 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 40 F 9.31 4.59 0.00 1.51 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 0.00 0.00 0.00 0.00 41 D 7.87 4.68 0.00 2.58 2.29 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 42 S 8.66 3.78 0.00 4.06 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 43 D 7.54 4.28 0.00 2.96 2.73 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 44 V 7.94 3.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.82 0.00 0.00 45 G 7.22 4.16 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 0.00 46 E 6.63 5.19 0.00 2.49 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 47 Y 9.66 4.65 0.00 3.27 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 48 R 9.26 4.74 0.00 1.42 1.73 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 49 A 8.71 4.47 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 50 V 8.11 3.78 2.28 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 0.85 0.00 0.00 1.04 0.00 0.00 51 T 8.28 4.57 4.28 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 1.29 0.00 0.00 52 E 9.03 4.00 0.00 1.99 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 0.00 2.33 1.98 0.00 53 L 8.08 4.50 0.00 1.67 1.78 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.63 4.57 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 55 R 7.69 3.92 0.00 1.95 2.05 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 56 P 0.00 4.36 0.00 2.14 2.02 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 D 8.07 4.25 0.00 2.82 2.73 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 58 A 8.36 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.34 3.93 0.00 1.99 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 2.40 2.61 0.00 60 Y 7.77 4.20 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.09 4.90 0.00 3.43 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 62 N 8.58 4.88 0.00 2.93 3.00 0.00 0.00 6.94 8.09 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 63 S 7.90 4.74 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.61 4.06 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.04 0.00 0.00 0.00 0.00 0.00 2.84 2.88 0.00 65 K 8.44 4.18 0.00 2.01 1.94 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 66 D 8.02 4.36 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 75 V 7.86 3.53 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 1.06 0.00 0.00 1.02 0.00 0.00 76 D 8.37 4.60 0.00 2.77 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 77 T 7.72 4.09 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 78 Y 8.19 4.69 0.00 2.75 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 79 C 8.04 4.18 0.00 3.10 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 80 R 7.89 4.01 0.00 1.97 1.94 0.00 3.27 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 1.79 1.91 0.00 81 H 7.92 4.05 0.00 3.27 3.50 0.00 5.61 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 82 N 8.39 4.42 0.00 2.83 2.89 0.00 0.00 6.77 6.79 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 83 Y 8.06 4.04 0.00 2.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 V 7.67 4.69 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 0.92 0.00 0.00 1.10 0.00 0.00 143 V 7.49 4.16 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 0.93 0.00 0.00 0.92 0.00 0.00 144 S 8.46 4.75 0.00 3.82 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 0.00 145 T 6.91 3.50 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 0.00 146 G 7.23 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 0.00 0.00 0.00 147 L 8.02 4.33 0.00 1.69 1.65 1.18 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.95 4.55 2.19 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 1.25 1.17 0.91 0.00 0.00 149 Q 8.63 4.04 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 1.60 2.42 0.00 150 N 8.53 4.16 0.00 2.95 2.82 0.00 0.00 6.76 8.05 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 0.00 151 G 7.45 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 0.00 0.00 0.00 152 D 7.32 4.75 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 7.88 3.31 0.00 3.17 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.20 4.76 4.28 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 1.33 0.00 0.00 155 F 9.30 5.25 0.00 2.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 5.10 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 157 T 8.58 4.89 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 158 L 8.40 5.44 0.00 1.28 1.44 0.92 0.91 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 0.00 159 V 8.53 4.85 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 0.66 0.00 0.00 0.93 0.00 0.00 160 M 8.29 5.13 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 161 L 8.00 5.00 0.00 1.31 1.48 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.15 3.94 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 *167 S 8.08 4.30 0.00 3.67 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 0.00 168 G 8.65 3.53 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 0.00 169 E 7.71 3.38 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 170 V 7.49 3.15 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 0.73 0.00 0.00 0.88 0.00 0.00 *171 Y 7.29 4.53 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.10 4.17 4.28 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 1.26 0.00 0.00 173 C 7.96 4.92 0.00 3.03 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 0.00 174 Q 8.79 4.87 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 175 V 8.98 4.72 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 0.72 0.00 0.00 0.90 0.00 0.00 176 E 10.58 4.93 0.00 1.67 1.79 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 2.13 2.08 0.00 177 H 8.54 5.14 0.00 3.03 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.49 0.00 2.25 2.15 0.00 3.34 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 179 S 8.35 4.37 0.00 4.05 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 0.00 180 V 7.53 4.60 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 0.77 0.00 0.00 1.05 0.00 0.00 181 T 8.60 4.03 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 1.23 0.00 0.00 182 S 7.76 4.60 0.00 4.00 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 0.00 183 P 0.00 4.46 0.00 2.10 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 184 L 8.74 4.85 0.00 1.59 1.57 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.03 5.34 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 186 V 8.13 4.40 2.15 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 0.96 0.00 0.00 0.98 0.00 0.00 187 E 8.96 4.58 0.00 1.79 1.73 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 2.23 1.88 0.00 188 W 9.19 4.77 0.00 3.20 3.21 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 0.00 189 R 8.28 3.93 0.00 1.88 1.66 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 * Residues marked with a * may have inaccurate shift predictions.