NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.0489 8.4029 116.6790 55.1529 31.3123 177.2115 6 K 3.9715 8.2190 120.1602 57.1801 32.1862 178.3809 7 I 3.9832 8.2194 118.0939 63.2711 38.7921 177.3545 8 F 4.6727 7.6332 118.4085 60.2038 38.7548 175.1916 9 P 4.2758 0.0000 0.0000 66.5384 30.8858 178.1341 10 D 4.5126 7.8318 117.0348 56.6023 40.7403 178.8501 11 I 3.8444 7.5921 120.4202 64.1286 36.8996 178.3133 12 L 3.9777 7.7723 118.7066 57.6946 41.6880 178.8608 13 E 4.0727 7.9124 117.0950 59.1406 29.3543 179.1632 14 A 3.9946 7.8913 120.7288 55.1521 18.2952 179.6966 15 I 3.7550 7.4219 109.4865 63.4477 37.7741 177.8485 16 R 4.3382 7.4724 118.5074 55.9762 30.5463 175.4431 17 N 4.7823 7.5806 118.5275 51.4633 39.8422 174.6317 18 E 3.9953 8.6340 127.4592 59.0177 29.7961 178.0413 19 E 3.9148 8.2197 119.2882 59.0114 29.6043 178.6438 20 I 3.6780 7.8263 119.4026 64.4056 37.0049 178.1633 21 I 3.7284 7.2544 118.5829 64.6161 37.0803 178.2359 22 K 4.1004 8.0457 117.7491 59.3762 32.0251 178.5279 23 E 4.3194 8.0943 115.8681 56.0442 29.8896 176.8968 24 S 4.5632 6.9938 114.3334 56.8090 64.4896 174.1650 25 K 4.1791 8.3248 120.3367 56.2905 32.4220 176.7726 26 K 4.5273 8.4777 121.4113 54.6376 33.7617 175.5029 27 I 4.5484 8.2016 123.9657 58.3143 40.4379 174.7683 28 P 4.7229 0.0000 0.0000 61.7027 30.7325 175.8571 *30 P 4.6092 0.0000 0.0000 64.0080 33.5380 178.4263 31 Y 4.3694 7.5865 115.3767 60.7971 37.7940 178.1808 32 F 4.2741 8.6130 121.5377 61.4916 39.6080 177.3687 33 G 3.9430 8.4575 104.7503 47.4836 0.0000 175.2269 34 L 4.0436 8.5752 123.2313 57.9808 42.0452 178.7926 35 F 3.9412 8.3079 120.1088 61.2413 39.3478 176.9772 36 A 4.1845 7.7489 119.1402 55.1578 17.9656 179.2533 37 L 3.8714 7.6640 117.6949 58.3613 42.4733 179.1427 38 V 3.7161 7.9585 118.1444 65.8561 31.4471 178.0737 39 I 3.6116 7.6742 119.5205 64.5714 36.9345 178.3677 40 F 4.0733 8.6359 118.2455 60.1855 38.5251 176.7720 41 D 4.6256 7.8408 115.9496 55.4408 41.2489 177.1427 42 K 4.4489 7.6533 115.8768 56.3189 32.8987 177.3427 43 V 3.9693 8.4503 122.8137 64.2146 32.4318 175.5234 44 K 4.5839 7.2851 117.9861 52.1045 31.9547 179.6574 *47 G 3.7249 7.9904 112.7456 45.2916 0.0000 170.1670 48 S 4.4829 9.3306 121.1934 57.6530 66.8494 174.6200 49 E 4.4952 8.5551 118.9135 56.0641 31.4426 173.8795 50 T 4.7686 8.2004 121.0314 59.8703 70.8442 172.3257 51 S 5.1252 8.4096 114.7030 56.0830 67.5042 174.5440 52 L 4.2574 8.5622 121.4351 57.8011 41.2477 178.9952 53 Y 4.3548 8.2300 119.2199 61.0726 38.8805 177.8675 54 E 4.1834 8.3552 118.8529 59.5936 29.4612 179.7111 55 I 3.9811 7.9137 119.4975 64.3846 37.2266 178.3438 56 G 3.5615 8.6419 106.8335 48.1174 0.0000 175.3164 57 E 4.0861 8.2322 121.0417 59.2244 29.2345 179.1628 58 E 4.0395 7.9426 117.8778 58.9516 29.7772 178.2512 59 F 4.3255 8.6378 120.7187 61.3365 39.9347 177.1986 60 G 3.7823 8.6598 105.7291 47.2032 0.0000 175.7006 61 K 3.8390 7.4371 116.8679 57.5944 31.9261 177.2192 *63 L 4.0156 7.7992 119.0032 53.2519 43.8317 177.1837 64 S 3.4660 7.6204 109.1897 58.5839 60.5993 169.4862 65 P 4.3978 0.0000 0.0000 62.1866 32.4675 177.3776 66 K 4.0050 8.7883 121.6836 58.8178 32.5995 176.6192 67 N 4.7427 7.3744 114.5725 50.5344 41.3758 175.0639 68 I 3.6038 8.1019 120.3992 64.4083 37.0748 178.1670 69 E 3.8583 8.1314 119.7593 59.2207 29.4571 178.4122 70 E 3.9072 8.5732 119.5053 58.8498 29.8281 178.1803 71 L 3.8834 7.8337 120.4992 58.2581 42.0252 179.2218 72 K 3.9539 8.3580 120.8000 60.0526 32.0092 180.1132 73 K 4.0147 8.0802 123.8558 59.9399 31.3912 180.9422 74 I 3.9826 8.1465 120.4630 64.2639 37.1706 178.3153 75 F 3.9856 8.3390 118.3924 60.3313 38.4996 177.9430 76 K 4.0971 8.0273 117.4340 59.2242 31.8490 179.5618 77 L 4.0442 7.8977 114.6597 55.5911 41.3654 176.9825 *79 N 4.5770 7.9763 115.9385 53.7787 39.9910 174.6217 80 F 4.4924 8.4341 114.3065 56.6339 39.5779 175.4424 81 G 3.7858 8.1882 106.1788 44.2374 0.0000 172.5737 82 D 4.7636 8.6648 119.4632 52.8802 41.5899 176.2707 83 L 4.6267 8.4144 124.4304 54.3521 42.8597 176.3736 84 E 4.6583 9.1040 124.0924 54.8186 31.6174 175.3138 85 I 4.7120 8.0591 124.6305 58.9903 41.5422 175.0752 86 D 4.5853 8.8194 126.7383 52.9909 41.3250 176.4770 87 E 3.9488 8.5627 127.5418 59.4524 29.7993 178.6192 88 N 4.2980 8.3362 115.9770 56.6695 38.6474 177.3824 89 K 4.1471 8.6150 121.9225 60.0294 31.8694 180.2605 90 I 3.8020 7.6234 121.9908 65.7648 35.4900 180.6450 91 L 4.4305 8.3877 126.0330 61.0344 40.7936 181.3656 92 L 4.4692 8.2353 126.1879 58.2854 41.0254 181.5596 93 K 4.5461 7.9911 122.4023 54.1134 33.0960 178.3226 94 N 4.8715 8.1216 114.4470 51.8195 38.8399 173.1205 95 P 3.5908 0.0000 0.0000 61.0483 32.2403 173.9798 96 P 4.5447 0.0000 0.0000 63.9339 31.5740 175.2923 97 Y 4.7208 8.6262 119.0758 56.4862 41.0353 174.3439 98 K 5.1403 8.6072 121.0597 54.8579 35.2771 175.1595 99 I 4.8068 8.9035 127.3645 59.5507 40.4930 174.7397 100 K 5.1567 8.7180 125.6502 54.7418 35.4099 175.2393 101 L 5.1425 8.9710 124.2774 53.7782 45.1422 175.4041 102 S 4.9083 9.0856 122.8359 57.1630 65.2649 173.6927 103 N 4.3023 8.4349 119.1092 54.1141 36.7596 171.3888 104 P 4.9566 0.0000 0.0000 60.3797 33.3336 174.0557 105 P 4.1426 0.0000 0.0000 63.1481 31.7710 175.3908 106 Y 2.8411 7.8675 113.7896 58.8211 35.0844 172.6676 107 Q 4.0421 8.1772 120.1690 58.3635 28.9961 178.1637 108 W 4.4268 7.3617 113.3167 57.7928 29.0086 176.6277 109 V 3.6702 6.9423 120.7262 62.1763 31.4918 174.4113 110 S 4.9703 8.3908 120.9720 56.2980 64.0962 172.8694 111 K 4.5412 8.6128 127.9761 54.8360 35.3896 175.1440 112 E 4.0229 8.9729 126.2675 58.9691 29.7589 176.9063 113 E 4.6049 7.6529 115.8354 53.6350 31.4526 174.1049 114 P 4.2906 0.0000 0.0000 63.1763 31.8032 176.4389 115 I 4.2029 8.0136 112.9750 61.3804 39.6662 176.0816 116 H 4.8255 8.2226 121.4163 55.5625 26.5698 176.2118 117 D 4.5884 7.9058 123.8410 57.3959 41.2976 178.3684 118 F 4.5201 8.3363 120.6324 61.6411 39.5249 176.8226 119 I 3.5379 8.0871 118.6752 64.4977 36.8901 177.9320 120 A 4.0443 8.3890 121.5381 55.2054 18.1908 179.9684 121 G 2.7984 7.9489 103.7223 47.5280 0.0000 175.8780 122 I 3.7746 7.3292 122.2746 64.1746 37.1291 178.3679 123 L 3.7584 7.9321 119.4386 57.6509 41.5429 179.3282 124 A 4.1042 7.9157 120.6536 55.4138 18.3643 180.0501 125 G 3.5467 8.3386 104.4161 47.9771 0.0000 175.7878 126 C 4.0588 8.2468 119.2477 62.5601 28.0253 176.1882 127 L 3.8258 7.8909 120.8961 57.6060 41.0342 179.4160 128 E 4.1783 7.9365 118.4907 58.7924 29.2922 179.0521 129 E 3.4945 7.6779 118.8413 58.8272 29.4507 179.1942 130 I 3.5133 7.2348 119.0984 63.8841 36.3793 177.7177 131 F 4.7095 8.1093 116.5061 56.3925 39.3257 175.5743 132 Y 3.8224 7.8379 115.7810 58.3039 35.7788 169.2321 133 Y 4.8467 6.9003 114.8789 55.9411 41.3709 173.1522 134 Y 4.4192 8.5675 118.5535 57.6015 38.9040 175.1388 135 F 5.4049 8.9611 122.1148 55.6531 42.6586 174.8388 136 V 4.7904 8.6437 119.6845 60.0398 34.0792 174.5531 137 V 4.9842 9.2364 124.3787 61.1329 33.8743 174.0345 138 N 5.0429 9.3499 126.5453 51.5805 41.8327 172.6405 139 E 4.4023 9.1081 127.8600 56.3879 29.7108 176.2977 140 V 4.3622 8.6828 120.1023 61.4840 33.8446 175.7278 141 E 4.8953 7.6948 118.6348 54.9213 34.3726 173.7946 142 C 4.8453 8.8007 120.7731 57.7120 35.0141 174.9839 143 V 3.9973 9.0879 124.6219 65.2785 31.2915 178.0370 144 S 4.4342 8.0487 113.0629 60.1064 62.6408 175.3414 145 Q 4.3189 8.1223 118.3028 55.5032 28.5781 176.2731 146 G 3.9057 8.3276 106.4375 45.3676 0.0000 174.2992 147 K 4.2858 7.5319 118.7574 55.5174 33.0289 177.5622 148 D 4.4068 8.5229 120.3928 56.6178 41.5161 176.3856 149 K 4.8846 7.4904 115.4719 54.4911 36.5384 175.9781 150 C 4.4003 8.7863 120.4006 59.5725 29.5886 172.8932 151 V 4.7481 8.2192 122.8543 61.0231 34.2796 174.0331 152 F 5.3626 9.2960 126.5672 55.6024 42.0877 173.8977 153 E 4.9465 9.4242 122.9738 55.2385 31.8077 175.2291 154 V 4.9451 8.8290 123.2963 61.2878 34.2676 174.5281 155 K 4.8855 9.1650 126.7110 54.6007 36.5134 176.2899 156 E 4.0770 8.7926 120.5299 56.9977 30.5639 173.7882 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 5 E 8.40 4.05 0.00 1.91 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 0.00 2.21 1.88 0.00 6 K 8.22 3.97 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.06 7.81 7 I 8.22 3.98 1.82 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 1.69 1.17 0.89 0.00 0.00 8 F 7.63 4.67 0.00 3.27 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 9 P 0.00 4.28 0.00 2.28 2.36 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 10 D 7.83 4.51 0.00 2.98 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 11 I 7.59 3.84 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.83 0.00 0.00 12 L 7.77 3.98 0.00 1.59 1.68 0.89 0.80 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 13 E 7.91 4.07 0.00 2.05 1.98 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 2.31 2.32 0.00 14 A 7.89 3.99 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 15 I 7.42 3.76 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.63 0.81 0.00 0.00 16 R 7.47 4.34 0.00 1.84 1.98 0.00 3.23 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 17 N 7.58 4.78 0.00 2.78 2.65 0.00 0.00 6.69 7.73 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 18 E 8.63 4.00 0.00 2.05 1.91 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 2.35 2.33 0.00 19 E 8.22 3.91 0.00 2.06 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 2.37 2.39 0.00 20 I 7.83 3.68 2.00 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 1.51 0.48 0.90 0.00 0.00 21 I 7.25 3.73 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.88 0.00 0.00 22 K 8.05 4.10 0.00 1.78 1.87 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 23 E 8.09 4.32 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 24 S 6.99 4.56 0.00 3.95 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 25 K 8.32 4.18 0.00 1.79 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 26 K 8.48 4.53 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.47 7.81 27 I 8.20 4.55 1.97 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 1.67 0.92 1.11 0.00 0.00 28 P 0.00 4.72 0.00 2.46 1.96 0.00 3.92 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 *30 P 0.00 4.61 0.00 1.71 1.95 0.00 3.49 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 1.78 2.11 0.00 31 Y 7.59 4.37 0.00 3.29 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.61 4.27 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.46 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.58 4.04 0.00 1.97 2.04 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.31 3.94 0.00 3.15 2.97 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 36 A 7.75 4.18 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 37 L 7.66 3.87 0.00 1.76 1.92 0.92 1.05 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 38 V 7.96 3.72 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 0.84 0.00 0.00 0.95 0.00 0.00 39 I 7.67 3.61 2.18 0.00 0.00 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 1.19 0.56 0.94 0.00 0.00 40 F 8.64 4.07 0.00 3.21 3.19 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 41 D 7.84 4.63 0.00 2.93 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 42 K 7.65 4.45 0.00 1.70 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.57 7.81 43 V 8.45 3.97 1.69 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 0.78 0.00 0.00 0.67 0.00 0.00 44 K 7.29 4.58 0.00 1.80 1.54 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.22 7.81 *47 G 7.99 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 48 S 9.33 4.48 0.00 3.40 3.59 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 49 E 8.56 4.50 0.00 1.85 1.81 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 2.20 2.30 0.00 50 T 8.20 4.77 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 1.16 0.00 0.00 51 S 8.41 5.13 0.00 4.19 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 52 L 8.56 4.26 0.00 1.80 1.92 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.23 4.35 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.36 4.18 0.00 2.39 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 2.52 2.59 0.00 55 I 7.91 3.98 2.25 0.00 0.00 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 1.61 0.85 1.14 0.00 0.00 56 G 8.64 3.56 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 0.00 57 E 8.23 4.09 0.00 2.11 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 2.26 1.81 0.00 58 E 7.94 4.04 0.00 2.16 2.16 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 2.36 2.38 0.00 59 F 8.64 4.33 0.00 3.34 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.66 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.44 3.84 0.00 1.88 1.97 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.43 7.81 *63 L 7.80 4.02 0.00 1.62 1.67 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.62 3.47 0.00 4.09 3.77 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 65 P 0.00 4.40 0.00 2.10 1.96 0.00 3.68 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 66 K 8.79 4.00 0.00 2.16 1.78 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.24 7.81 67 N 7.37 4.74 0.00 2.88 2.77 0.00 0.00 6.28 7.85 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 68 I 8.10 3.60 1.85 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.85 0.00 0.00 69 E 8.13 3.86 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 70 E 8.57 3.91 0.00 2.13 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 2.25 2.26 0.00 71 L 7.83 3.88 0.00 1.68 1.73 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.36 3.95 0.00 1.94 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.54 7.81 73 K 8.08 4.01 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 74 I 8.15 3.98 1.93 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 1.48 1.13 0.84 0.00 0.00 75 F 8.34 3.99 0.00 3.20 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 76 K 8.03 4.10 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.65 7.81 77 L 7.90 4.04 0.00 1.71 1.63 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *79 N 7.98 4.58 0.00 2.70 2.89 0.00 0.00 7.09 7.02 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 80 F 8.43 4.49 0.00 2.65 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 81 G 8.19 3.79 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 0.00 0.00 0.00 82 D 8.66 4.76 0.00 2.72 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 83 L 8.41 4.63 0.00 1.36 1.41 -0.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.10 4.66 0.00 1.93 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 2.25 2.31 0.00 85 I 8.06 4.71 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.39 0.83 0.00 0.00 86 D 8.82 4.59 0.00 2.73 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 87 E 8.56 3.95 0.00 2.06 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 2.42 2.40 0.00 88 N 8.34 4.30 0.00 2.96 2.91 0.00 0.00 7.09 6.90 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 89 K 8.62 4.15 0.00 2.17 1.98 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 90 I 7.62 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.07 0.00 0.00 91 L 8.39 4.43 0.00 1.68 1.60 0.92 0.94 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 92 L 8.24 4.47 0.00 1.78 1.46 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.99 4.55 0.00 1.79 1.65 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 94 N 8.12 4.87 0.00 3.01 2.80 0.00 0.00 6.03 7.75 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 95 P 0.00 3.59 0.00 2.17 2.17 0.00 3.74 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 1.97 2.25 0.00 96 P 0.00 4.54 0.00 2.06 2.11 0.00 3.66 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 1.93 1.99 0.00 97 Y 8.63 4.72 0.00 2.96 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 98 K 8.61 5.14 0.00 1.75 1.68 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.47 7.81 99 I 8.90 4.81 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.82 0.00 0.00 100 K 8.72 5.16 0.00 1.90 1.73 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 101 L 8.97 5.14 0.00 1.94 1.75 1.16 1.54 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 0.00 102 S 9.09 4.91 0.00 3.84 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 0.00 103 N 8.43 4.30 0.00 2.82 2.86 0.00 0.00 7.06 7.69 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 0.00 104 P 0.00 4.96 0.00 2.00 2.02 0.00 3.42 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 1.95 1.92 0.00 105 P 0.00 4.14 0.00 1.31 1.31 0.00 3.48 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 0.82 1.34 0.00 106 Y 7.87 2.84 0.00 2.88 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 0.00 107 Q 8.18 4.04 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 108 W 7.36 4.43 0.00 3.60 3.26 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 0.00 109 V 6.94 3.67 1.75 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 0.68 0.00 0.00 -0.21 0.00 0.00 110 S 8.39 4.97 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.61 4.54 0.00 1.58 1.70 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.31 7.81 112 E 8.97 4.02 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 113 E 7.65 4.60 0.00 1.95 1.81 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 2.21 2.22 0.00 114 P 0.00 4.29 0.00 1.98 1.98 0.00 3.59 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 2.11 2.01 0.00 115 I 8.01 4.20 1.61 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 1.16 0.17 0.78 0.00 0.00 116 H 8.22 4.83 0.00 3.81 3.57 0.00 5.82 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 0.00 117 D 7.91 4.59 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 0.00 118 F 8.34 4.52 0.00 3.09 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 0.00 119 I 8.09 3.54 2.04 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.41 1.00 0.00 0.00 120 A 8.39 4.04 1.87 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 0.00 121 G 7.95 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 0.00 0.00 0.00 122 I 7.33 3.77 1.93 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.05 1.06 0.00 0.00 123 L 7.93 3.76 0.00 1.61 1.46 0.06 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.92 4.10 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 0.00 0.00 125 G 8.34 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 0.00 126 C 8.25 4.06 0.00 2.84 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 0.00 127 L 7.89 3.83 0.00 1.41 0.68 0.33 0.46 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 0.00 128 E 7.94 4.18 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 129 E 7.68 3.49 0.00 1.92 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 0.00 2.27 2.49 0.00 130 I 7.23 3.51 1.05 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.34 -0.04 0.00 0.00 131 F 8.11 4.71 0.00 2.88 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 0.00 132 Y 7.84 3.82 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 6.90 4.85 0.00 3.26 3.01 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 0.00 134 Y 8.57 4.42 0.00 3.10 3.01 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 0.00 135 F 8.96 5.40 0.00 2.88 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 0.00 136 V 8.64 4.79 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 0.97 0.00 0.00 0.97 0.00 0.00 137 V 9.24 4.98 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 0.89 0.00 0.00 1.03 0.00 0.00 138 N 9.35 5.04 0.00 2.83 2.65 0.00 0.00 6.46 7.38 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 0.00 139 E 9.11 4.40 0.00 2.08 1.81 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 2.05 1.47 0.00 140 V 8.68 4.36 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 0.76 0.00 0.00 0.97 0.00 0.00 141 E 7.69 4.90 0.00 1.75 1.69 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 2.24 2.23 0.00 142 C 8.80 4.85 0.00 2.89 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 0.00 143 V 9.09 4.00 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 1.25 0.00 0.00 0.99 0.00 0.00 144 S 8.05 4.43 0.00 3.92 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 0.00 145 Q 8.12 4.32 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.53 2.23 0.00 146 G 8.33 3.91 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 0.00 0.00 0.00 147 K 7.53 4.29 0.00 1.86 1.70 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.32 7.81 148 D 8.52 4.41 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 0.00 149 K 7.49 4.88 0.00 1.61 1.79 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 150 C 8.79 4.40 0.00 2.94 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 0.00 151 V 8.22 4.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 152 F 9.30 5.36 0.00 3.03 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 0.00 153 E 9.42 4.95 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 154 V 8.83 4.95 2.32 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 1.08 0.00 0.00 0.99 0.00 0.00 155 K 9.17 4.89 0.00 1.89 1.75 0.00 1.98 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.21 7.81 156 E 8.79 4.08 0.00 2.14 1.98 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 2.44 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.