NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6146 8.2649 122.4707 52.4711 19.6480 175.8665 2 T 4.5208 9.2334 119.5001 62.3313 71.4584 172.6324 3 K 5.3530 8.8596 123.5499 54.9480 37.1980 174.7033 4 A 5.4269 9.2089 123.8408 50.8972 23.4588 175.1091 5 V 4.9741 8.8627 117.3943 60.9341 35.4392 173.2582 6 C 4.9527 9.0750 121.9842 57.9948 35.3196 172.6749 7 V 4.4604 8.4848 126.2736 61.7581 32.8075 174.1935 8 L 4.9012 9.0356 129.3040 53.6987 43.2273 176.1904 9 K 4.8802 9.0494 122.2309 55.5235 37.0640 176.1564 10 G 3.8736 7.9979 107.8045 46.8087 0.0000 173.0007 11 D 4.7233 8.8268 120.7371 54.3480 41.8533 176.4992 12 G 4.3756 7.4882 109.3566 43.9621 0.0000 171.1670 13 P 4.4490 0.0000 0.0000 63.5374 32.0748 176.2089 14 V 4.2796 7.5194 120.4242 62.9086 32.2896 174.9138 15 Q 4.7636 8.2342 123.8086 55.6126 32.4411 173.5822 16 G 4.1358 8.0982 106.6527 46.4652 0.0000 171.6502 17 I 5.1806 7.9326 119.4675 59.4738 41.1840 175.0880 18 I 4.6790 8.6934 126.8716 59.4754 40.4802 174.2477 19 N 4.8805 8.3418 124.0684 51.3398 41.0799 173.9116 20 F 5.3208 8.9287 120.4281 55.7424 43.1380 173.8055 21 E 5.1280 9.6154 123.3465 54.7974 33.2493 173.6696 22 Q 5.0784 9.8274 129.2909 53.9994 30.3889 175.9041 23 K 3.8610 8.8476 126.5475 58.7830 33.4218 177.1373 24 E 4.5988 7.7497 118.9346 53.5266 32.7541 173.7838 25 S 4.1717 8.7404 118.5657 60.1490 62.2993 173.7863 26 N 4.2949 9.0638 123.3688 53.8106 35.7014 174.5936 27 G 3.9660 8.2553 108.5588 43.9267 0.0000 171.9912 28 P 4.4327 0.0000 0.0000 62.5721 32.3094 176.7125 29 V 4.5131 8.5586 123.8168 61.2717 33.0845 175.1525 30 K 4.8245 9.1104 128.8475 56.4524 33.5714 176.4745 31 V 4.9108 9.1923 124.3142 60.9097 34.5347 174.2308 32 W 5.9253 7.6443 123.6962 55.5304 31.8859 175.3949 33 G 3.7198 7.6662 106.3041 46.1395 0.0000 170.6596 34 S 5.0907 7.7735 113.9520 56.8060 66.5429 174.3601 35 I 5.0474 8.8372 127.0377 59.3350 40.6221 174.7380 36 K 4.7762 9.1300 125.3435 55.4676 36.3043 176.8985 37 G 3.7593 8.7500 105.4990 45.9613 0.0000 173.6817 38 L 4.3500 7.6948 119.9328 53.3577 42.7264 176.6582 39 T 4.2862 8.1268 111.1791 61.0630 69.6227 174.0574 40 E 4.0993 8.6363 124.2876 57.8731 30.4570 175.2206 41 G 3.8185 8.3669 109.6803 43.9267 0.0000 172.3182 42 L 4.8779 8.1758 118.5034 54.6272 42.9572 176.5381 43 H 4.9722 9.3615 119.7041 53.5886 32.6202 173.3113 44 G 4.0213 9.3265 111.3433 46.9272 0.0000 172.2198 45 F 5.5495 9.3779 124.9489 56.7854 42.4077 173.1106 46 H 5.2625 9.0920 122.9735 53.9940 33.5930 172.8717 47 V 4.3850 8.5427 122.4573 62.6035 32.7635 174.9712 48 H 4.9996 9.3514 125.5731 54.4742 30.5961 176.0247 49 E 3.7218 8.9195 122.5051 58.7251 29.9684 177.0724 50 F 4.9641 8.2346 118.4951 54.9401 41.4752 176.9543 51 G 4.2868 8.4343 112.1245 44.6717 0.0000 174.0517 52 D 4.7206 8.0159 118.7789 52.6550 42.1782 174.2787 53 N 5.0743 8.5545 124.6208 53.4831 39.1460 175.6627 54 T 3.9599 8.6406 109.8919 63.4842 69.0396 174.5582 55 A 4.6914 8.2268 125.9001 51.5756 20.1017 176.5649 56 G 3.9804 7.9962 111.2970 47.4572 0.0000 175.9734 57 C 4.4795 8.5868 115.2353 59.5073 40.6006 175.8937 58 T 3.7608 7.5053 116.6636 66.2385 67.9814 175.3082 59 S 4.4816 7.9996 114.2026 58.5009 63.2830 175.1740 60 A 4.3915 7.5749 123.3569 51.9958 18.7150 179.5000 61 G 3.9827 7.4685 105.1730 44.3616 0.0000 170.9297 62 P 4.7529 0.0000 0.0000 61.7839 34.1001 174.9520 63 H 4.3687 8.4891 116.5445 55.8538 29.4309 175.4221 64 F 4.2393 9.3464 125.7150 58.0947 40.2558 174.9706 65 N 5.1091 7.8740 127.2299 51.7261 38.7485 173.4347 66 P 4.2380 0.0000 0.0000 64.8109 31.9148 177.3630 67 L 4.4000 7.5393 117.0144 53.6296 42.6351 176.1801 68 S 3.6128 7.5138 114.2088 59.6222 60.6696 171.2993 69 R 4.5224 8.0272 117.9172 54.5516 32.6150 176.8346 70 K 4.3901 9.4862 119.5257 55.3689 33.2181 176.5535 71 H 4.1696 8.4349 120.3923 56.7210 30.5776 175.4454 72 G 3.9313 7.6400 111.3162 45.4777 0.0000 172.6687 73 G 4.1115 8.3640 108.9885 42.8500 0.0000 173.1020 74 P 3.7746 0.0000 0.0000 65.2098 31.1281 177.5494 75 K 4.2475 7.8894 116.1953 57.2145 32.6080 176.6348 76 D 4.5939 8.6073 120.7910 53.5791 41.6150 176.2449 77 E 3.9241 8.8055 124.3970 59.2857 29.7911 177.3524 78 E 4.2536 7.8557 122.6037 54.9305 28.2255 174.9165 79 R 5.0304 7.5379 119.1526 53.9831 33.0541 174.8665 80 H 4.5937 9.2577 116.0638 55.0325 29.5975 176.8283 81 V 3.4601 8.2491 122.5004 66.1243 31.6924 176.9132 82 G 3.8889 8.4025 105.6060 46.8698 0.0000 173.6803 83 D 4.9117 8.1313 121.6927 53.2017 39.7661 175.6269 84 L 4.5342 8.4803 121.5031 53.2772 42.5740 178.0338 85 G 4.0940 8.5486 108.8071 46.4434 0.0000 174.1035 86 N 5.6169 8.6525 120.5440 51.4282 42.2632 173.5849 87 V 4.2929 8.5217 114.5343 60.1268 34.7572 175.0816 88 T 5.0292 8.1865 119.1423 61.8025 71.0545 173.2995 89 A 4.5571 9.0976 129.9846 51.2975 20.4056 177.3426 90 D 4.8084 8.8648 122.0825 51.9990 41.3250 177.1378 91 K 4.3231 8.3851 116.5212 58.8923 32.6019 177.1293 92 D 4.5613 8.2978 118.1510 54.1310 41.2437 177.0146 93 G 4.3506 8.6209 108.6534 44.4054 0.0000 172.6605 94 V 4.7065 8.1777 120.1592 60.9196 33.6880 174.4716 95 A 5.2368 8.8959 130.5718 49.6439 20.3621 174.9701 96 D 4.8636 8.5400 121.8283 54.6586 42.0171 176.3820 97 V 4.2828 8.8001 124.2747 61.2164 34.1394 174.8821 98 S 4.8914 8.4874 122.8199 57.7698 64.0099 172.2840 99 I 4.8698 9.2161 121.3773 59.1371 41.6891 173.3342 100 E 5.2655 8.7294 121.5026 54.6413 32.5175 174.3141 101 D 4.9166 9.1313 124.9941 53.0054 44.8230 175.6852 102 S 4.7400 8.9759 119.4012 58.5586 64.2924 175.2002 103 V 3.9601 8.0565 120.2459 64.8794 31.8542 176.3847 104 I 4.0599 7.8348 111.4525 61.0961 37.9907 174.6555 105 S 4.6526 8.1120 114.1250 57.3334 65.2060 173.5550 106 L 4.4367 8.7785 122.9801 54.6854 41.6591 176.3648 107 S 4.7278 7.5935 114.3832 56.5923 67.4037 175.4181 108 G 3.7506 8.6006 109.2830 46.6458 0.0000 174.1338 109 D 4.4684 8.7459 117.9927 56.1123 39.8560 176.5263 110 H 4.6415 8.0350 117.6153 54.8674 29.4012 175.1876 *112 I 3.6764 8.2111 117.1057 59.7477 39.2085 175.4895 113 I 3.7523 7.3278 122.6808 62.9618 37.5351 176.3904 114 G 3.8290 9.5279 113.2912 45.3500 0.0000 172.9945 115 R 4.9300 7.5038 119.1989 54.8241 33.8262 174.4324 116 T 5.0057 8.0016 115.3247 62.1500 71.2838 173.6821 117 L 4.7751 8.6256 128.7556 54.2068 43.9311 175.4069 118 V 4.9896 8.9041 125.8448 60.9899 35.1030 174.2164 119 V 5.0376 8.6710 126.8013 60.4391 33.8075 174.6325 120 H 5.2764 8.8956 121.0570 53.9711 30.8186 174.4904 121 E 4.2038 9.0611 121.6805 59.0593 30.1333 176.4716 122 K 4.8011 8.5644 116.9426 53.7996 36.7206 175.7901 123 A 4.4180 8.3490 123.4021 52.2346 18.8527 176.4177 124 D 4.8267 9.7173 123.0179 54.6096 40.5281 176.0132 125 H 4.7210 9.9335 123.8576 55.4100 29.0403 175.6519 126 L 3.6118 9.7493 119.5382 55.7758 39.6509 172.4070 127 G 3.7364 7.3443 105.7209 45.9405 0.0000 173.2213 *137 T 3.8750 7.6939 117.4221 64.9499 69.9273 174.9319 138 G 3.8048 8.5678 112.9868 44.6061 0.0000 172.3900 139 N 4.1314 7.7751 116.0571 54.5562 37.2108 173.8324 140 A 4.4430 7.1485 117.6051 51.0867 19.9940 179.3967 141 G 3.7310 7.8648 104.9163 45.0420 0.0000 173.5549 142 S 4.4183 9.0329 114.9302 58.3281 64.9060 174.3313 143 R 4.3325 8.3651 119.8781 55.3962 29.3173 176.5401 144 L 4.2977 8.8806 125.7923 57.2651 42.9660 177.2429 145 A 4.9551 7.7170 118.1592 51.1074 22.9973 173.8038 146 C 5.5527 8.7174 113.4854 55.9020 46.7872 172.6941 147 G 4.7053 8.0754 104.2522 46.1191 0.0000 172.5099 148 V 4.4377 8.2697 120.9934 62.3975 32.6435 175.5199 149 I 4.1515 8.8631 129.8020 61.0517 37.9425 175.2529 150 G 4.4356 8.9838 115.0911 43.9700 0.0000 172.4877 151 I 4.4318 8.3323 122.3561 61.2325 37.6351 175.3744 152 A 4.8332 8.5802 127.6034 49.7378 22.3114 175.9706 153 Q 4.0751 8.5782 118.9957 56.4169 29.2236 175.9823 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 A 8.26 4.61 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 9.23 4.52 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 1.23 0.00 0.00 3 K 8.86 5.35 0.00 1.89 1.73 0.00 1.70 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.51 7.81 4 A 9.21 5.43 1.18 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 0.00 0.00 5 V 8.86 4.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 6 C 9.08 4.95 0.00 3.16 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 7 V 8.48 4.46 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 9.04 4.90 0.00 1.65 1.59 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.05 4.88 0.00 1.64 1.62 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.00 3.87 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 0.00 0.00 0.00 11 D 8.83 4.72 0.00 2.67 2.71 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 12 G 7.49 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 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 14 V 7.52 4.28 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 0.82 0.00 0.00 0.91 0.00 0.00 15 Q 8.23 4.76 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 16 G 8.10 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 17 I 7.93 5.18 1.81 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 1.20 1.14 0.81 0.00 0.00 18 I 8.69 4.68 1.79 0.00 0.00 0.76 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 1.17 0.36 0.00 0.00 19 N 8.34 4.88 0.00 1.44 1.51 0.00 0.00 6.42 8.21 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 20 F 8.93 5.32 0.00 2.90 2.90 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 0.00 0.00 0.00 0.00 21 E 9.62 5.13 0.00 2.57 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 2.32 2.42 0.00 22 Q 9.83 5.08 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 23 K 8.85 3.86 0.00 1.92 1.96 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.38 7.81 24 E 7.75 4.60 0.00 1.97 1.77 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 2.35 2.28 0.00 25 S 8.74 4.17 0.00 3.87 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 26 N 9.06 4.29 0.00 2.91 2.94 0.00 0.00 7.15 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 27 G 8.26 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 28 P 0.00 4.43 0.00 2.04 2.07 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.56 4.51 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 1.23 0.00 0.00 1.08 0.00 0.00 30 K 9.11 4.82 0.00 2.08 1.91 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.44 7.81 31 V 9.19 4.91 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 0.84 0.00 0.00 1.19 0.00 0.00 32 W 7.64 5.93 0.00 3.48 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 33 G 7.67 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 34 S 7.77 5.09 0.00 3.89 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 35 I 8.84 5.05 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.90 0.00 0.00 36 K 9.13 4.78 0.00 1.71 1.88 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.33 7.81 37 G 8.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.35 0.00 1.77 1.36 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 4.29 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 1.24 0.00 0.00 40 E 8.64 4.10 0.00 2.03 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 2.39 2.44 0.00 41 G 8.37 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 42 L 8.18 4.88 0.00 1.50 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.36 4.97 0.00 2.98 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.33 4.02 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 0.00 0.00 0.00 45 F 9.38 5.55 0.00 2.99 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 46 H 9.09 5.26 0.00 3.17 2.99 0.00 5.68 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 47 V 8.54 4.39 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 0.71 0.00 0.00 0.87 0.00 0.00 48 H 9.35 5.00 0.00 3.05 3.40 0.00 5.67 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 49 E 8.92 3.72 0.00 1.71 1.12 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 1.47 2.12 0.00 50 F 8.23 4.96 0.00 3.18 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 51 G 8.43 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.02 4.72 0.00 2.63 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 53 N 8.55 5.07 0.00 2.70 2.75 0.00 0.00 7.26 7.70 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 54 T 8.64 3.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 55 A 8.23 4.69 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 56 G 8.00 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 57 C 8.59 4.48 0.00 2.98 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 58 T 7.51 3.76 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 1.23 0.00 0.00 59 S 8.00 4.48 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.57 4.39 1.40 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 0.00 0.00 61 G 7.47 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 62 P 0.00 4.75 0.00 2.05 2.21 0.00 3.56 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 63 H 8.49 4.37 0.00 2.80 3.16 0.00 5.73 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 64 F 9.35 4.24 0.00 2.88 2.94 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 65 N 7.87 5.11 0.00 2.63 2.45 0.00 0.00 6.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.24 0.00 2.05 1.91 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.00 67 L 7.54 4.40 0.00 1.50 1.64 0.80 0.89 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 68 S 7.51 3.61 0.00 3.95 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 69 R 8.03 4.52 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 70 K 9.49 4.39 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.66 7.81 71 H 8.43 4.17 0.00 3.03 3.19 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.64 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 73 G 8.36 4.11 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 0.00 0.00 0.00 74 P 0.00 3.77 0.00 2.23 2.35 0.00 3.79 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 2.03 2.07 0.00 75 K 7.89 4.25 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 76 D 8.61 4.59 0.00 2.72 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 77 E 8.81 3.92 0.00 1.89 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 2.28 2.34 0.00 78 E 7.86 4.25 0.00 1.92 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 0.00 2.24 2.45 0.00 79 R 7.54 5.03 0.00 1.80 1.76 0.00 2.84 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 80 H 9.26 4.59 0.00 3.47 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.25 3.46 1.66 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 0.76 0.00 0.00 0.50 0.00 0.00 82 G 8.40 3.89 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 0.00 0.00 0.00 83 D 8.13 4.91 0.00 2.71 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 84 L 8.48 4.53 0.00 1.67 1.88 0.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.55 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.65 5.62 0.00 2.59 2.70 0.00 0.00 6.66 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 87 V 8.52 4.29 1.82 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 -0.22 0.00 0.00 0.81 0.00 0.00 88 T 8.19 5.03 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 1.20 0.00 0.00 89 A 9.10 4.56 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 90 D 8.86 4.81 0.00 2.87 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 91 K 8.39 4.32 0.00 1.88 1.98 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.30 4.56 0.00 2.81 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 93 G 8.62 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 0.00 0.00 0.00 94 V 8.18 4.71 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 0.91 0.00 0.00 0.97 0.00 0.00 95 A 8.90 5.24 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 96 D 8.54 4.86 0.00 2.56 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 97 V 8.80 4.28 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 0.81 0.00 0.00 0.68 0.00 0.00 98 S 8.49 4.89 0.00 3.92 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 0.00 99 I 9.22 4.87 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.96 0.00 0.00 100 E 8.73 5.27 0.00 1.98 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 0.00 2.22 2.33 0.00 101 D 9.13 4.92 0.00 2.90 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 4.74 0.00 3.91 3.89 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 0.00 103 V 8.06 3.96 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 0.75 0.00 0.00 0.94 0.00 0.00 104 I 7.83 4.06 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.00 0.00 0.00 105 S 8.11 4.65 0.00 3.84 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 0.00 106 L 8.78 4.44 0.00 1.81 1.65 1.01 0.48 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 0.00 107 S 7.59 4.73 0.00 3.83 3.73 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 0.00 108 G 8.60 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 0.00 109 D 8.75 4.47 0.00 2.85 2.85 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 0.00 110 H 8.03 4.64 0.00 3.18 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.21 3.68 1.59 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.91 0.00 0.00 113 I 7.33 3.75 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.88 0.00 0.00 114 G 9.53 3.83 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 0.00 0.00 0.00 115 R 7.50 4.93 0.00 1.56 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 116 T 8.00 5.01 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 1.24 0.00 0.00 117 L 8.63 4.78 0.00 1.82 1.56 0.50 0.67 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 0.00 118 V 8.90 4.99 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 0.71 0.00 0.00 0.80 0.00 0.00 119 V 8.67 5.04 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 0.81 0.00 0.00 0.96 0.00 0.00 120 H 8.90 5.28 0.00 3.28 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.06 4.20 0.00 2.15 2.22 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 2.36 2.34 0.00 122 K 8.56 4.80 0.00 1.64 1.63 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 123 A 8.35 4.42 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 0.00 124 D 9.72 4.83 0.00 2.67 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 0.00 125 H 9.93 4.72 0.00 3.21 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.75 3.61 0.00 1.84 1.74 0.95 1.06 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 0.00 127 G 7.34 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 0.00 0.00 0.00 0.00 *137 T 7.69 3.87 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 1.18 0.00 0.00 138 G 8.57 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 0.00 0.00 0.00 139 N 7.78 4.13 0.00 2.77 2.73 0.00 0.00 7.01 7.96 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 0.00 140 A 7.15 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.86 3.73 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 0.00 142 S 9.03 4.42 0.00 3.88 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.37 4.33 0.00 1.68 1.86 0.00 3.17 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 144 L 8.88 4.30 0.00 1.70 1.69 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.72 4.96 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 0.00 146 C 8.72 5.55 0.00 2.99 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 0.00 147 G 8.08 4.71 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 0.00 0.00 0.00 148 V 8.27 4.44 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 0.82 0.00 0.00 0.96 0.00 0.00 149 I 8.86 4.15 1.82 0.00 0.00 0.52 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 0.49 0.49 0.00 0.00 150 G 8.98 4.44 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 0.00 0.00 0.00 151 I 8.33 4.43 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.58 4.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.58 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.