NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6580 8.4201 119.2026 52.9994 40.8820 174.3498 0 A 4.8479 7.6495 117.1294 48.3094 22.4029 171.8166 1 E 4.8071 9.7893 119.6248 54.5622 34.3978 172.9366 2 R 5.2250 8.5217 118.4392 54.4553 32.6621 175.4878 3 R 4.7302 8.5926 118.9883 54.3377 34.0351 173.4369 4 L 4.8187 8.4077 121.3226 54.8157 42.7093 175.4816 5 C 4.9761 9.2001 122.8681 58.0308 33.4874 173.0656 6 A 4.8511 8.4910 123.9033 51.0989 19.8335 176.2351 7 I 4.9424 8.4532 123.6882 60.2090 39.9330 174.9795 8 L 5.2195 9.0779 127.4729 53.3249 45.0409 174.7905 9 A 5.2275 9.2850 128.1672 50.2403 21.8421 174.9326 10 A 5.6727 8.3583 121.1872 48.8893 22.7462 174.1875 11 D 4.9222 8.8034 121.6803 53.7838 45.2338 177.0698 13 A 4.8875 8.9833 115.9906 50.9853 22.4326 176.1014 14 G 3.6024 8.6207 106.8096 45.8140 0.0000 172.2949 15 Y 3.3572 7.7965 111.3949 58.1526 34.9686 170.9910 16 S 4.2387 8.0433 111.9832 58.9831 62.9449 174.3336 17 R 3.9784 8.8234 126.7057 58.6120 30.5931 177.1653 18 L 4.3048 7.3549 120.1960 53.4422 40.1869 176.8318 *20 E 4.2669 7.6017 115.9583 55.6153 31.4144 176.8373 21 R 4.5886 7.6964 113.1661 54.3707 32.6636 173.8957 22 N 4.4957 8.7832 120.2224 53.3646 39.7426 175.6447 23 E 4.6175 8.4166 129.6424 55.1354 28.9967 176.8500 24 T 3.8157 7.1524 113.6828 65.3953 68.8785 174.6796 25 D 4.2931 8.0936 120.9764 57.2405 40.8971 179.0346 26 V 3.3807 7.5003 117.6776 66.0315 31.6619 177.9499 27 L 3.9686 8.1366 118.9602 57.6731 41.3758 179.2624 28 N 4.3649 8.5009 117.1287 55.8995 38.3736 177.6003 29 R 3.6404 7.8225 119.8870 59.2591 30.1126 179.0982 30 Q 4.1129 7.8937 117.2698 59.2074 28.3279 178.4727 31 K 3.9033 7.9375 120.1518 59.1367 32.0621 178.8723 32 L 3.9496 7.7593 120.3153 58.4299 42.0521 178.6451 33 Y 4.4523 7.9441 116.7641 61.2862 37.7774 178.3463 34 R 3.9721 8.5175 119.9453 59.7465 29.8021 178.4856 35 R 4.0627 7.5790 116.5073 58.1983 30.5115 177.8800 36 E 4.4343 8.6111 115.8273 56.8361 30.6395 175.5473 37 L 4.5497 8.3984 119.4499 56.5220 43.9984 177.9097 38 I 3.7273 7.2594 119.1455 63.8560 37.1602 177.6353 39 D 4.4200 8.7032 119.5003 57.3684 40.9723 177.8023 40 P 4.2192 0.0000 0.0000 65.6175 31.5086 178.4445 41 A 4.1231 7.9101 119.3371 55.2177 18.2179 179.8568 42 I 3.8429 7.9859 118.0206 64.4409 37.1496 178.3408 43 A 3.9029 7.8249 121.1131 55.4057 18.0715 179.1728 44 Q 3.7737 8.3452 117.0783 59.2237 29.0766 177.7232 45 A 4.3865 7.8337 117.2761 51.9543 18.9212 177.9737 46 G 3.9298 8.5180 105.8334 45.1020 0.0000 174.2519 47 G 3.0274 7.5728 106.7784 45.5824 0.0000 173.2431 48 Q 4.5989 8.1914 117.9878 53.5082 32.6615 175.4697 49 I 3.8900 8.3400 124.6463 61.8493 37.1891 176.0827 50 V 4.0221 8.9299 127.5441 63.9572 32.2204 176.2429 51 K 4.5019 7.0462 118.0504 56.7411 34.1280 174.0982 52 T 4.9344 8.5718 111.7446 60.4035 71.2986 173.1602 53 T 4.7066 8.9632 114.3271 59.7552 71.9376 174.4259 54 G 3.6527 8.7296 109.0449 48.5686 0.0000 174.1461 55 D 4.6212 7.7848 118.2265 54.3657 42.9616 176.2929 56 G 3.9975 7.9509 105.6784 43.9531 0.0000 176.2666 *58 L 4.5771 8.9755 126.6754 54.6682 43.3155 173.8451 59 A 5.2584 9.2411 127.2573 50.2098 23.2903 174.5177 60 R 5.2513 8.7555 114.7084 54.7486 33.3430 174.2242 61 F 5.0805 9.0653 117.8300 56.1480 43.2158 175.6243 62 D 4.4696 9.0745 120.1805 56.0377 41.0549 177.6750 63 T 4.6920 7.5849 108.2907 59.3609 72.8076 174.8911 64 A 3.9270 8.3512 124.3978 55.2695 18.4270 179.6910 65 Q 3.7706 8.0897 117.4157 59.5560 29.0035 178.7363 66 A 3.8499 7.7184 121.3798 54.7898 18.3973 179.2843 67 A 2.0000 7.0632 118.2349 54.7117 18.2675 179.7263 68 L 3.7566 7.3490 118.3163 58.3333 42.1237 179.3798 69 R 3.7704 8.1002 118.3540 59.0055 29.8415 178.6572 70 C 4.0092 7.8247 118.4886 62.4560 31.5196 175.5370 71 A 3.9536 7.8373 122.3072 55.1323 17.8567 179.6353 72 L 3.5557 8.0509 117.8608 57.4820 41.4713 179.3024 73 E 3.8530 8.3915 119.6909 59.3232 29.4054 178.7384 74 I 3.6539 7.5573 118.2642 64.7855 37.3225 178.1937 75 Q 4.2677 8.2078 117.6362 59.1953 28.3529 178.6801 76 Q 4.3055 8.5432 119.0663 58.4077 28.7532 177.4237 77 A 4.0126 7.7808 121.6058 52.5272 18.8313 179.2414 *79 Q 4.1811 8.0803 123.8027 57.9156 31.3756 177.2822 80 Q 4.0644 7.8424 115.6833 59.1105 28.8572 178.9041 81 R 4.0347 8.4365 115.7325 58.5194 30.3125 177.4192 82 E 4.7014 7.6959 116.2546 55.9050 29.8870 177.4496 83 E 4.1025 8.0492 118.2411 58.4997 29.9097 177.2990 84 D 4.7411 8.0408 117.3404 54.3296 41.3599 175.9230 85 T 4.5535 7.2497 116.3059 61.1259 70.2204 173.1942 86 P 4.4125 0.0000 0.0000 62.4892 32.3457 177.2590 87 R 3.8848 8.7788 120.7604 59.8552 30.0007 179.0555 88 K 4.1431 7.9801 113.8960 57.9815 32.0507 177.3307 89 E 4.8686 7.7737 116.6214 55.2796 30.9201 176.7683 90 R 4.3985 7.7004 118.2505 56.1500 30.6839 176.1149 91 I 4.3044 9.5464 123.5217 60.8336 38.2443 175.6770 92 Q 4.5411 8.1791 122.6478 54.3832 33.0807 174.1693 93 Y 5.0566 8.5267 119.9420 57.4169 40.4896 174.4023 94 R 5.1184 9.0507 120.1950 54.7878 33.5841 175.4299 95 I 5.1608 8.3108 121.9345 59.7501 41.7725 174.4728 96 G 5.0839 9.4458 113.5632 45.4915 0.0000 171.9278 97 I 5.3098 8.1544 121.5123 59.6293 41.9567 173.7720 98 N 5.4973 9.3185 123.9409 52.4873 43.2517 172.4968 99 I 5.3984 7.4491 119.5168 58.5317 41.3756 175.0099 100 G 3.9981 8.0225 110.2074 45.8571 0.0000 171.9362 101 D 5.2380 8.8585 120.6894 54.0746 41.3523 176.1673 102 I 4.7908 8.8647 117.0183 59.0072 41.8891 174.2430 103 V 4.7498 8.8216 123.0995 61.7474 33.2749 174.6118 104 L 5.2419 8.2984 127.1455 53.4656 44.5990 175.4971 105 E 4.4695 9.1665 117.4825 55.9399 32.5302 175.1212 106 D 4.2252 8.4465 129.7899 55.2245 37.1570 175.3773 107 G 4.0090 8.1790 101.9193 46.0760 0.0000 171.7189 108 D 4.8435 7.8002 116.7455 51.8773 44.4839 174.3399 109 I 5.1463 7.7305 115.7917 59.1855 40.4263 174.8250 110 F 4.7744 9.4946 119.4850 56.3665 43.2596 173.2656 111 G 4.5501 9.2642 107.8346 43.3951 0.0000 174.3524 112 D 4.4044 9.0351 121.4889 57.7245 40.6794 179.4194 113 A 3.9968 8.2409 120.1878 55.4415 18.1020 179.8255 114 V 3.5368 7.8691 116.5433 66.3186 31.6750 177.8943 115 N 4.3243 8.2251 115.7683 56.5555 38.3658 177.3623 116 V 3.6706 8.1354 119.3769 65.6418 31.5734 178.0456 117 A 4.0196 7.8269 120.6354 54.9379 18.2586 179.4308 118 A 3.9395 8.0166 119.3592 55.3667 18.5184 179.8534 119 R 3.8624 8.0454 117.2304 59.5240 30.1382 178.6079 120 L 4.0375 8.0758 118.8295 57.7206 41.3875 179.0316 121 E 3.9869 8.0518 117.9388 59.4811 29.6981 178.5576 122 A 4.1720 7.7595 119.4591 54.6351 18.5405 178.8428 123 I 4.0424 7.6832 109.4530 61.0357 38.6446 176.4707 124 S 4.2335 7.2694 115.9966 58.3402 63.0415 173.5443 125 E 4.3174 8.4943 123.6932 54.8374 30.5576 174.3173 126 P 4.5019 0.0000 0.0000 64.1460 31.7377 177.2827 127 G 3.8810 9.6402 111.2303 45.3254 0.0000 172.4703 128 A 5.0103 7.8344 121.8356 50.2146 22.8682 175.2144 129 I 5.1160 8.7503 116.8456 60.2852 41.5122 174.6286 130 C 5.5544 9.5677 125.0936 58.1935 30.6409 173.4202 131 V 5.2036 9.1242 116.8301 59.2466 35.4478 175.6482 132 S 4.7531 8.5506 118.2023 58.0505 64.2979 174.8173 133 D 4.5794 8.9602 119.2831 57.5556 40.9269 178.1973 134 I 3.6837 7.8391 119.8972 64.5517 37.2783 178.3648 135 V 3.6090 7.4256 118.9892 66.1664 31.3302 177.5462 136 H 3.6740 8.0069 118.0184 59.1631 29.3592 177.3242 137 Q 3.8094 7.8253 118.7267 58.3154 28.5272 177.9569 138 I 4.0004 7.0564 118.6680 62.6274 37.7848 177.1260 139 T 4.2746 7.2671 109.2982 62.0043 69.6111 176.6880 140 Q 3.5833 7.2384 119.8028 59.1244 28.3316 178.2626 141 D 4.5884 7.7185 114.9446 54.3560 41.4528 177.2454 142 R 4.1821 7.9757 118.1097 56.7005 30.6872 176.5923 143 V 4.3866 7.3191 117.2956 60.5148 33.8228 175.4767 144 S 4.2770 8.7428 121.8036 60.9929 63.3306 174.9198 145 E 4.1155 8.0926 120.3261 55.9084 29.6368 174.6663 146 P 4.8852 0.0000 0.0000 62.2351 32.7841 175.0921 147 F 5.2199 8.8898 117.9491 56.1565 42.8885 174.5003 148 T 4.8296 9.0114 117.3550 61.4589 71.5799 173.2074 149 D 3.3700 8.6470 126.0233 54.6231 41.1423 175.6290 150 L 4.2685 8.7561 126.5811 54.6796 43.6689 177.0063 151 G 3.6840 8.8579 105.7528 44.7968 0.0000 172.0984 152 L 4.9686 7.9533 118.0558 53.7972 43.7487 176.4124 153 Q 4.4115 8.6967 122.3933 54.3661 32.1743 173.8376 154 K 4.5881 8.7892 128.1708 55.7443 33.5067 175.9452 155 V 4.3688 8.1428 125.4873 60.2115 34.1086 174.4680 156 K 3.8275 8.6855 127.0347 58.5137 32.0583 176.1451 157 N 4.4069 9.0189 121.6358 53.5106 36.1657 173.6245 158 I 4.4451 7.7429 120.3743 59.5316 38.8073 175.8043 159 T 3.9508 8.6767 116.2930 64.6607 68.9569 175.1040 160 R 4.1655 7.8178 122.4071 54.0261 30.3463 174.6016 161 P 4.6769 0.0000 0.0000 63.1826 32.3983 175.4711 162 I 4.6162 8.7735 121.0948 59.4357 40.7937 174.8429 163 R 4.7133 8.5532 126.2625 55.8247 31.5390 174.8628 164 V 4.9509 8.5944 126.4640 60.9640 34.2352 174.1322 165 W 5.2587 9.3199 127.3927 55.0732 32.1328 174.6563 166 Q 5.3526 9.3348 123.6113 54.1997 32.5672 173.4650 167 W 4.6999 9.0783 134.7198 55.4714 33.4669 174.4972 168 V 4.1811 7.2469 119.0817 58.0549 34.5666 173.8277 169 P 3.7137 0.0000 0.0000 62.1608 31.7437 176.9740 170 D 4.2594 8.4596 118.9054 56.7172 40.9914 177.2423 171 A 4.2537 7.4884 125.3509 52.0437 19.1380 176.0807 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 N 8.42 4.66 0.00 2.68 2.89 0.00 0.00 6.70 7.08 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 A 7.65 4.85 1.24 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 0.00 0.00 0.00 1 E 9.79 4.81 0.00 2.03 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 2.18 2.26 0.00 2 R 8.52 5.22 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 3 R 8.59 4.73 0.00 1.86 2.00 0.00 2.77 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 4 L 8.41 4.82 0.00 1.67 1.62 0.99 0.82 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 5 C 9.20 4.98 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.49 4.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.45 4.94 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.94 0.00 0.00 8 L 9.08 5.22 0.00 1.81 1.88 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.28 5.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.36 5.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.80 4.92 0.00 2.80 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 0.00 0.00 0.00 0.00 13 A 8.98 4.89 1.24 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 0.00 0.00 0.00 14 G 8.62 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 15 Y 7.80 3.36 0.00 3.22 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.04 4.24 0.00 3.82 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 17 R 8.82 3.98 0.00 1.84 2.02 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 L 7.35 4.30 0.00 1.65 1.64 0.93 0.87 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 *20 E 7.60 4.27 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 21 R 7.70 4.59 0.00 1.87 1.86 0.00 3.25 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 22 N 8.78 4.50 0.00 2.70 2.77 0.00 0.00 6.89 7.65 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 23 E 8.42 4.62 0.00 2.05 1.65 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 2.01 2.31 0.00 24 T 7.15 3.82 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 1.23 0.00 0.00 25 D 8.09 4.29 0.00 2.65 2.72 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 26 V 7.50 3.38 1.65 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 0.23 0.00 0.00 0.52 0.00 0.00 27 L 8.14 3.97 0.00 1.64 1.65 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.50 4.36 0.00 2.82 2.79 0.00 0.00 6.90 7.21 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 29 R 7.82 3.64 0.00 1.95 1.72 0.00 2.77 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 30 Q 7.89 4.11 0.00 2.47 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 31 K 7.94 3.90 0.00 2.01 1.90 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.56 7.81 32 L 7.76 3.95 0.00 1.63 1.53 0.91 0.69 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 33 Y 7.94 4.45 0.00 3.21 3.05 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 34 R 8.52 3.97 0.00 1.96 2.27 0.00 3.57 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 35 R 7.58 4.06 0.00 2.05 1.98 0.00 3.20 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 36 E 8.61 4.43 0.00 2.12 2.27 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 2.44 2.40 0.00 37 L 8.40 4.55 0.00 1.78 1.75 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.26 3.73 1.99 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.83 0.00 0.00 39 D 8.70 4.42 0.00 2.76 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 P 0.00 4.22 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 41 A 7.91 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 42 I 7.99 3.84 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 0.77 0.00 0.00 43 A 7.82 3.90 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 44 Q 8.35 3.77 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 45 A 7.83 4.39 1.55 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 46 G 8.52 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 47 G 7.57 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 0.00 0.00 0.00 48 Q 8.19 4.60 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 49 I 8.34 3.89 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 59 A 9.24 5.26 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.76 5.25 0.00 1.82 1.96 0.00 2.71 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 61 F 9.07 5.08 0.00 2.89 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 62 D 9.07 4.47 0.00 2.71 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 63 T 7.58 4.69 4.22 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 1.21 0.00 0.00 64 A 8.35 3.93 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 65 Q 8.09 3.77 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 66 A 7.72 3.85 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 67 A 7.06 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.35 3.76 0.00 1.65 1.63 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.10 3.77 0.00 1.77 1.88 0.00 3.11 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 70 C 7.82 4.01 0.00 3.00 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 71 A 7.84 3.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.05 3.56 0.00 1.66 1.41 0.70 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.39 3.85 0.00 2.14 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 2.29 2.33 0.00 74 I 7.56 3.65 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.87 0.00 0.00 75 Q 8.21 4.27 0.00 2.26 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.69 2.79 0.00 76 Q 8.54 4.31 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.16 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 77 A 7.78 4.01 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 *79 Q 8.08 4.18 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 80 Q 7.84 4.06 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 81 R 8.44 4.03 0.00 1.57 2.09 0.00 3.33 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 82 E 7.70 4.70 0.00 2.07 1.96 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 2.30 2.58 0.00 83 E 8.05 4.10 0.00 2.11 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 2.42 2.29 0.00 84 D 8.04 4.74 0.00 2.71 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 85 T 7.25 4.55 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 86 P 0.00 4.41 0.00 2.18 1.97 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 87 R 8.78 3.88 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 88 K 7.98 4.14 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 89 E 7.77 4.87 0.00 2.13 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 2.29 2.21 0.00 90 R 7.70 4.40 0.00 1.94 1.90 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 91 I 9.55 4.30 2.00 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 1.29 0.67 0.70 0.00 0.00 92 Q 8.18 4.54 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 93 Y 8.53 5.06 0.00 2.98 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 94 R 9.05 5.12 0.00 1.81 2.02 0.00 3.39 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 95 I 8.31 5.16 1.97 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 1.21 0.74 0.99 0.00 0.00 96 G 9.45 5.08 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 97 I 8.15 5.31 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.92 0.00 0.00 98 N 9.32 5.50 0.00 2.80 2.64 0.00 0.00 6.71 8.66 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 99 I 7.45 5.40 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.88 0.91 0.00 0.00 100 G 8.02 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 0.00 101 D 8.86 5.24 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.29 0.74 0.90 0.00 0.00 110 F 9.49 4.77 0.00 2.97 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 0.00 111 G 9.26 4.55 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 0.00 112 D 9.04 4.40 0.00 2.80 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 0.00 113 A 8.24 4.00 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 0.00 114 V 7.87 3.54 2.20 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 0.98 0.00 0.00 0.93 0.00 0.00 115 N 8.23 4.32 0.00 3.03 2.88 0.00 0.00 6.73 7.68 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 0.00 116 V 8.14 3.67 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 1.04 0.00 0.00 1.00 0.00 0.00 117 A 7.83 4.02 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 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0.00 3.69 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 2.01 2.09 0.00 127 G 9.64 3.88 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 0.00 0.00 0.00 128 A 7.83 5.01 1.32 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 0.00 0.00 129 I 8.75 5.12 2.19 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 1.06 0.00 0.00 130 C 9.57 5.55 0.00 3.03 2.93 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 0.00 131 V 9.12 5.20 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 0.83 0.00 0.00 0.83 0.00 0.00 132 S 8.55 4.75 0.00 4.00 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 0.00 133 D 8.96 4.58 0.00 3.30 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 0.00 134 I 7.84 3.68 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.90 0.00 0.00 135 V 7.43 3.61 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 0.84 0.00 0.00 0.95 0.00 0.00 136 H 8.01 3.67 0.00 2.64 2.75 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.83 3.81 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 138 I 7.06 4.00 1.88 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 1.51 0.56 0.83 0.00 0.00 139 T 7.27 4.27 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 1.07 0.00 0.00 140 Q 7.24 3.58 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 141 D 7.72 4.59 0.00 2.61 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 0.00 142 R 7.98 4.18 0.00 1.81 1.91 0.00 3.21 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 143 V 7.32 4.39 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 0.90 0.00 0.00 0.84 0.00 0.00 144 S 8.74 4.28 0.00 4.04 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 0.00 145 E 8.09 4.12 0.00 1.80 1.70 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 2.07 2.44 0.00 146 P 0.00 4.89 0.00 2.29 2.15 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 147 F 8.89 5.22 0.00 3.09 3.39 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 0.00 148 T 9.01 4.83 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 149 D 8.65 3.37 0.00 1.58 2.12 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 0.00 150 L 8.76 4.27 0.00 1.73 1.50 0.88 1.08 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 0.00 151 G 8.86 3.68 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 0.00 0.00 0.00 152 L 7.95 4.97 0.00 1.52 1.58 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.70 4.41 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 154 K 8.79 4.59 0.00 1.79 1.68 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.50 7.81 155 V 8.14 4.37 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 1.06 0.00 0.00 0.95 0.00 0.00 156 K 8.69 3.83 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 157 N 9.02 4.41 0.00 2.95 2.99 0.00 0.00 7.03 7.45 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 0.00 158 I 7.74 4.45 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.97 0.00 0.00 159 T 8.68 3.95 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 0.00 160 R 7.82 4.17 0.00 1.84 1.94 0.00 3.23 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 1.64 1.62 0.00 161 P 0.00 4.68 0.00 2.07 2.07 0.00 3.71 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 1.99 2.01 0.00 162 I 8.77 4.62 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.96 0.00 0.00 163 R 8.55 4.71 0.00 1.91 1.89 0.00 3.18 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 0.00 164 V 8.59 4.95 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 1.01 0.00 0.00 1.03 0.00 0.00 165 W 9.32 5.26 0.00 3.33 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 0.00 166 Q 9.33 5.35 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 167 W 9.08 4.70 0.00 1.78 2.43 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 0.00 168 V 7.25 4.18 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 0.69 0.00 0.00 0.59 0.00 0.00 169 P 0.00 3.71 0.00 2.12 2.08 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 170 D 8.46 4.26 0.00 2.66 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 0.00 171 A 7.49 4.25 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 * Residues marked with a * may have inaccurate shift predictions.