NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4884 8.1933 115.4157 57.7914 64.6585 174.4619 3 D 4.2315 8.5405 121.1519 57.2181 40.6195 177.7919 4 I 3.7446 7.8565 120.1843 63.9810 37.5586 177.7058 5 K 3.8819 8.0838 120.5480 59.7196 31.9715 178.9286 6 K 3.9963 8.4934 118.9712 59.1722 32.0104 179.0022 7 L 4.0870 8.1135 120.8973 58.2406 42.0440 179.4371 8 G 3.6339 8.0306 105.3212 47.9409 0.0000 175.9259 9 S 4.3038 8.5324 118.2295 61.4362 62.7855 176.9249 10 S 4.1886 8.4132 118.0349 61.2799 62.5197 176.6370 11 W 3.9934 8.2043 130.6022 60.6225 30.5627 177.9828 12 I 4.0262 8.3979 118.6955 64.1020 37.4417 177.9002 13 I 3.7620 8.1456 120.9533 64.3929 36.9824 177.8910 14 N 4.4516 8.3466 119.4715 55.6519 38.4968 176.5943 15 W 3.5353 7.6812 129.1746 60.4244 30.7745 177.5726 16 F 3.9658 7.5780 115.6751 58.8750 38.5732 177.0327 17 F 4.4511 7.5384 114.1987 55.9342 40.3761 176.5520 18 G 3.8440 7.6653 106.2977 45.1863 0.0000 173.9127 19 F 4.6869 7.5676 118.6954 57.7064 39.5387 175.4548 20 N 4.9392 8.7019 120.2249 53.1027 38.8691 174.6887 21 Q 4.5431 7.5126 118.2270 54.1295 32.3130 174.0966 22 I 4.0313 8.2446 124.8974 60.1385 37.8300 174.5326 23 P 4.3261 0.0000 0.0000 62.2448 32.0234 176.9492 24 T 4.0758 8.2011 111.2460 61.9450 70.5224 174.9753 25 N 4.2396 8.8415 119.7888 56.6225 38.5244 177.3918 26 E 4.2936 8.4236 119.3942 59.8178 29.6070 179.0569 27 D 4.3817 8.1896 118.7540 57.4227 40.6274 178.9597 28 S 4.2241 8.0521 114.8461 61.5855 62.9232 176.4025 29 S 4.1399 8.0273 114.7487 61.5376 62.4370 175.9634 30 I 3.8981 7.9828 122.4922 64.4388 36.8223 178.0491 31 Y 4.2839 8.2104 116.6504 58.9702 38.3562 177.6183 *33 K 4.0942 7.9558 119.5613 56.3102 34.3432 178.3360 34 S 4.1081 8.2587 114.9889 61.4815 62.6220 176.8898 35 V 3.5062 7.6816 120.8559 66.0144 31.2090 178.0936 36 L 4.0792 7.8881 118.1903 58.0893 41.5606 179.3486 37 T 3.9038 8.2676 115.9118 66.7754 68.1846 176.1394 38 C 4.0459 8.2222 119.2982 62.4603 31.7318 175.1287 39 A 4.1089 8.1331 121.3145 55.0867 18.2270 179.2466 40 K 4.0688 8.5484 118.2811 56.6945 32.4148 179.3111 41 A 3.6713 8.9584 122.2154 54.1818 18.4559 178.3376 *42 D 4.5971 9.2798 116.7753 58.4110 41.0006 177.2706 43 G 4.3820 7.3145 116.3757 45.5479 0.0000 176.6620 44 V 4.5210 8.3238 123.0451 58.2827 35.2150 173.5789 45 I 4.6946 7.9541 117.2079 59.9016 40.3198 175.8593 46 S 4.4351 9.4889 123.2032 57.3195 65.1171 173.3589 47 P 4.2493 0.0000 0.0000 66.0939 30.9509 178.4998 48 E 4.0301 8.1819 117.2428 59.2834 29.4724 178.5546 49 E 4.0052 8.1775 118.5397 59.3934 29.5152 179.2735 50 K 4.0541 8.5962 120.0759 59.5936 32.2619 178.5368 51 D 4.3751 8.7356 119.6966 57.0803 40.6628 178.5207 52 W 4.0437 8.4571 128.6830 60.3748 30.6756 177.8725 53 A 4.2977 8.3540 120.5773 55.3928 17.9002 179.6510 54 L 3.9067 8.2890 117.8263 57.7651 41.6287 180.0589 55 G 3.4305 8.0854 105.7815 47.4772 0.0000 175.5857 56 F 3.9390 7.6532 122.2910 61.0592 39.7114 176.5184 57 C 2.0000 7.5596 118.0156 61.5050 31.2061 175.2907 58 A 3.7689 7.8902 122.9604 55.0392 17.6569 179.6919 59 S 4.0536 7.4133 111.8414 61.1763 63.0246 176.1740 60 W 4.6980 7.2808 120.4583 57.1243 28.8376 176.8582 61 G 3.9051 7.9794 107.2350 45.8594 0.0000 174.3667 62 V 3.7398 7.7429 111.3943 60.8345 32.2633 176.0913 63 A 4.0851 8.7415 125.4386 52.5722 19.0466 178.6507 64 D 4.3448 8.8730 120.9409 57.2854 40.7976 179.2442 65 W 4.4031 8.3650 116.6691 59.8809 27.7175 178.3853 66 V 2.6680 6.7873 118.6065 65.5039 30.7860 178.1968 67 I 3.6247 7.3415 118.9678 64.3258 37.2130 177.9827 68 E 3.9659 8.2827 119.5203 59.6285 29.0779 179.0432 69 D 4.5677 8.2613 117.0975 57.2053 41.7342 177.9534 70 L 4.1611 8.0624 119.7376 57.5605 41.3385 179.3569 71 K 3.9836 8.1304 118.1665 59.3930 32.1580 178.4998 72 T 4.3974 7.3408 105.4432 61.0640 69.5513 174.2991 73 Y 4.2210 7.3897 124.0567 57.6282 39.2546 174.4619 74 E 4.1682 8.1990 126.8517 54.8488 30.4835 177.0089 75 A 3.8697 8.0334 131.8686 51.4954 17.2796 176.6284 76 D 4.8216 7.2827 116.7082 53.4595 42.1671 177.0603 77 E 4.3318 7.7890 118.8709 55.0925 30.9604 176.3009 78 A 4.2151 8.2639 122.2874 51.6296 19.7298 178.1886 79 L 3.9517 8.6583 126.7350 58.3152 41.8070 179.1060 80 E 4.0431 8.1833 116.9537 59.4622 29.2617 178.8837 81 E 4.0629 7.9823 118.4632 58.9298 29.9488 178.8642 82 V 3.7947 7.8907 118.6458 66.1049 31.7536 178.2438 83 I 3.7958 7.8615 112.5592 63.7908 37.1561 177.3777 84 A 4.3414 7.4033 120.5683 53.0117 18.3266 179.0296 85 R 4.1182 7.8237 116.1893 57.0176 30.6736 176.6602 86 S 4.6239 7.7706 113.5572 55.7131 65.4331 172.9725 87 P 4.3311 0.0000 0.0000 65.6012 31.5537 177.9819 88 Q 4.0514 8.0759 116.4798 58.8415 28.8660 177.6979 89 V 3.7973 7.6807 116.2024 65.8646 32.2947 176.9164 90 S 4.3361 8.0525 117.6273 58.3704 61.9119 175.0379 *92 A 4.3934 7.8242 119.2280 52.0228 20.6082 179.0842 93 Q 4.0491 8.3824 119.9582 60.7945 28.7306 179.2985 94 R 4.0359 8.0123 118.3655 59.0157 30.1909 178.4363 95 D 4.5181 8.2063 117.4862 57.4998 41.3066 178.0811 96 I 3.5876 8.4846 120.6172 64.3409 37.0505 178.1185 97 L 3.9516 7.9245 120.9259 58.0724 41.9520 178.7274 98 L 4.0667 8.1940 120.2114 58.4554 42.0920 179.1103 99 S 4.4894 8.5106 114.8969 61.6968 62.7375 176.5262 100 A 4.0951 8.4675 123.7518 55.1203 18.1066 179.7105 101 I 3.3697 8.0815 118.5984 64.3144 36.9586 178.6869 102 W 3.4749 7.8124 118.1975 59.4202 29.1281 178.3922 103 V 3.4435 8.1439 118.5104 66.1862 30.7776 178.3316 104 S 4.4160 8.1195 114.7452 60.8546 62.9270 176.1054 105 A 4.1418 7.8063 123.5703 53.2179 17.8317 179.2744 106 A 3.8137 7.3544 119.2843 53.9216 18.3104 177.8554 107 D 5.2551 7.8617 114.2896 51.6994 39.7633 175.2151 108 G 4.1970 7.8606 107.6190 43.9031 0.0000 174.5569 109 E 4.0137 8.4562 116.7371 55.5575 30.1561 178.0915 110 L 4.1855 8.3385 121.9077 55.1071 42.1950 177.8582 *111 H 4.6384 8.5948 121.2686 54.7016 30.9836 176.3412 112 E 3.9916 8.5826 121.0254 59.4753 29.0789 179.6761 113 K 3.8788 8.0530 118.0843 59.8316 32.2175 179.0263 114 E 3.9463 8.0698 118.0118 59.2359 29.4605 179.4037 115 K 3.9739 8.2418 118.4779 59.1572 32.0701 179.2774 116 A 3.9581 8.3061 121.3869 55.0399 18.1303 179.5044 117 K 3.8114 7.9985 115.9845 60.0455 32.2838 179.1916 118 I 3.8360 7.5326 118.1304 64.4799 37.2071 178.4961 119 R 4.1576 7.9056 118.4979 58.8839 29.9156 179.4416 120 K 4.1461 7.9679 114.2232 57.4870 31.8627 178.4233 *122 A 4.3241 7.9454 124.8245 52.6340 20.7662 180.0397 123 T 3.8784 8.2173 112.5684 66.9525 68.7675 176.7423 124 I 3.7095 7.5111 120.2862 64.5019 37.0791 177.5436 125 L 4.0819 7.8602 117.3067 55.5162 41.6950 177.6870 126 G 3.8724 7.9703 106.7354 46.0289 0.0000 173.1573 127 I 4.2418 7.9792 120.8556 59.5975 38.2642 176.9261 128 K 4.2159 8.4125 124.6872 55.8894 33.9953 177.5668 129 E 3.9152 8.8082 122.7683 59.7337 29.4902 178.8876 130 E 3.9677 8.2497 118.5689 59.4352 29.5117 178.8855 131 I 3.7205 7.5670 119.2451 64.1875 37.2627 177.9850 132 V 3.6024 7.8504 119.1982 66.4872 31.3058 177.6490 133 D 4.4139 8.4843 118.5966 57.7418 40.5775 179.0746 134 Q 4.0790 8.1664 118.3903 58.8543 28.6457 178.8064 135 L 4.0668 8.2490 120.4355 57.7468 41.6942 179.2761 136 E 3.9551 8.5128 118.8441 59.4601 29.3564 179.2061 137 Q 4.2855 8.3363 119.5546 59.1119 29.1753 177.9156 138 L 3.9735 8.3335 121.7022 58.3872 42.0787 177.9281 139 Y 3.9611 8.1054 119.4144 61.2463 38.5411 178.0254 140 Y 3.4655 7.8703 117.0302 61.0908 37.9234 178.3658 141 Y 3.9059 8.4759 117.7913 61.0129 37.9901 178.3988 142 E 4.1141 8.9133 119.6897 59.3951 29.6489 179.2744 143 A 4.2067 8.1125 120.9622 55.1899 18.3983 179.5615 144 A 3.9111 8.0017 119.3327 55.2492 18.3513 179.6798 145 L 3.9948 8.2253 118.9865 58.0680 42.1085 179.1553 146 R 3.9767 8.3119 118.8833 59.5327 30.0719 178.4713 147 Q 4.0490 8.1479 117.8778 58.8247 28.7233 178.7318 148 K 3.9104 8.1879 120.5652 59.4819 32.1529 178.4160 149 R 3.8915 8.2656 119.1316 59.7982 29.9277 178.3705 150 L 4.0869 8.1842 118.4421 58.0512 41.6321 179.4487 151 N 4.4163 8.4494 116.3900 55.9515 38.1883 177.3584 152 L 4.0649 7.8111 121.3826 58.0129 42.2796 178.6757 153 L 3.9898 7.9765 118.2921 56.5554 42.5198 177.2533 154 Y 4.8444 7.9652 116.4174 55.3451 38.4216 173.9822 155 P 4.6729 0.0000 0.0000 64.0218 33.9374 178.4543 156 Q 4.3091 7.8906 110.0416 55.8796 28.9338 178.3211 157 K 4.3606 9.1966 119.7411 56.4129 33.8086 175.8343 158 S 4.3621 8.0440 115.1673 55.4660 64.8158 172.6405 159 P 4.2023 0.0000 0.0000 65.1430 31.5731 175.9265 160 Y 4.2748 7.3824 120.4276 58.1127 38.8989 174.6980 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 2 S 8.19 4.49 0.00 4.03 4.07 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 3 D 8.54 4.23 0.00 2.80 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 4 I 7.86 3.74 1.87 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 1.52 1.08 0.90 0.00 0.00 5 K 8.08 3.88 0.00 1.94 2.01 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.37 7.81 6 K 8.49 4.00 0.00 1.99 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 7 L 8.11 4.09 0.00 1.90 1.86 0.97 0.90 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 8 G 8.03 3.63 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 0.00 0.00 0.00 9 S 8.53 4.30 0.00 4.00 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 10 S 8.41 4.19 0.00 3.99 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 11 W 8.20 3.99 0.00 3.56 3.31 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 12 I 8.40 4.03 2.33 0.00 0.00 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 1.94 1.67 1.36 0.00 0.00 13 I 8.15 3.76 2.03 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 1.05 0.00 0.00 14 N 8.35 4.45 0.00 2.83 2.80 0.00 0.00 6.39 8.80 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 15 W 7.68 3.54 0.00 2.04 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 16 F 7.58 3.97 0.00 2.17 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 0.00 0.00 0.00 17 F 7.54 4.45 0.00 1.70 1.45 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 0.00 18 G 7.67 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 0.00 0.00 0.00 19 F 7.57 4.69 0.00 2.99 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 20 N 8.70 4.94 0.00 2.71 2.84 0.00 0.00 6.66 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 21 Q 7.51 4.54 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 22 I 8.24 4.03 1.89 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 1.47 0.69 0.94 0.00 0.00 23 P 0.00 4.33 0.00 1.91 1.83 0.00 3.62 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 1.81 1.97 0.00 24 T 8.20 4.08 4.47 0.00 0.00 0.00 0.00 0.00 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 25 N 8.84 4.24 0.00 3.03 2.73 0.00 0.00 6.91 7.66 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 26 E 8.42 4.29 0.00 2.16 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 2.49 2.67 0.00 27 D 8.19 4.38 0.00 2.81 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 28 S 8.05 4.22 0.00 4.00 4.18 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 29 S 8.03 4.14 0.00 3.72 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.98 3.90 1.93 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 1.45 0.58 0.98 0.00 0.00 31 Y 8.21 4.28 0.00 3.04 3.17 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 *33 K 7.96 4.09 0.00 1.87 1.65 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.11 7.81 34 S 8.26 4.11 0.00 3.93 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 35 V 7.68 3.51 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 1.21 0.00 0.00 0.58 0.00 0.00 36 L 7.89 4.08 0.00 2.02 1.83 1.04 0.84 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 37 T 8.27 3.90 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 1.28 0.00 0.00 38 C 8.22 4.05 0.00 3.17 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 39 A 8.13 4.11 1.36 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 0.00 0.00 0.00 0.00 0.00 40 K 8.55 4.07 0.00 1.93 1.85 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.45 7.81 41 A 8.96 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 D 9.28 4.60 0.00 2.71 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 43 G 7.31 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 44 V 8.32 4.52 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 0.80 0.00 0.00 0.93 0.00 0.00 45 I 7.95 4.69 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.93 0.00 0.00 46 S 9.49 4.44 0.00 4.05 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 47 P 0.00 4.25 0.00 2.20 2.19 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 48 E 8.18 4.03 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 49 E 8.18 4.01 0.00 2.29 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 2.55 2.34 0.00 50 K 8.60 4.05 0.00 1.83 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.55 7.81 51 D 8.74 4.38 0.00 2.93 2.76 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 52 W 8.46 4.04 0.00 3.59 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 53 A 8.35 4.30 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.29 3.91 0.00 1.81 1.65 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.09 3.43 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 0.00 56 F 7.65 3.94 0.00 1.93 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 57 C 7.56 2.00 0.00 2.40 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.89 3.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.41 4.05 0.00 4.14 4.07 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 60 W 7.28 4.70 0.00 3.40 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 61 G 7.98 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 62 V 7.74 3.74 1.84 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 0.76 0.00 0.00 0.73 0.00 0.00 63 A 8.74 4.09 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 64 D 8.87 4.34 0.00 2.74 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 65 W 8.36 4.40 0.00 3.50 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 74 E 8.20 4.17 0.00 1.80 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 2.18 2.17 0.00 75 A 8.03 3.87 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 76 D 7.28 4.82 0.00 2.54 2.60 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 77 E 7.79 4.33 0.00 2.05 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 2.30 2.29 0.00 78 A 8.26 4.22 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 L 8.66 3.95 0.00 1.79 1.70 0.96 0.92 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 80 E 8.18 4.04 0.00 2.21 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 2.38 2.36 0.00 81 E 7.98 4.06 0.00 2.14 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 2.33 2.38 0.00 82 V 7.89 3.79 2.26 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 A 7.82 4.39 1.56 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 93 Q 8.38 4.05 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.86 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 94 R 8.01 4.04 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 95 D 8.21 4.52 0.00 2.89 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 96 I 8.48 3.59 2.05 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 0.70 0.85 0.00 0.00 97 L 7.92 3.95 0.00 1.96 1.84 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.19 4.07 0.00 1.96 1.99 1.18 1.07 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 99 S 8.51 4.49 0.00 4.32 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 0.00 100 A 8.47 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 0.00 101 I 8.08 3.37 1.89 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 1.35 0.90 0.16 0.00 0.00 102 W 7.81 3.47 0.00 3.32 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 0.00 103 V 8.14 3.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.33 0.00 0.00 104 S 8.12 4.42 0.00 3.83 3.90 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 0.00 105 A 7.81 4.14 0.74 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 0.00 106 A 7.35 3.81 1.01 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 0.00 0.00 107 D 7.86 5.26 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 0.00 108 G 7.86 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.46 4.01 0.00 2.00 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 2.23 1.92 0.00 110 L 8.34 4.19 0.00 1.63 1.58 0.48 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *111 H 8.59 4.64 0.00 2.98 2.98 0.00 7.18 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.58 3.99 0.00 1.97 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 0.00 2.40 2.35 0.00 113 K 8.05 3.88 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 114 E 8.07 3.95 0.00 2.08 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 2.34 2.35 0.00 115 K 8.24 3.97 0.00 1.93 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.60 1.62 7.81 116 A 8.31 3.96 1.39 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 134 Q 8.17 4.08 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 135 L 8.25 4.07 0.00 1.88 1.77 0.97 1.26 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 0.00 136 E 8.51 3.96 0.00 2.25 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 0.00 2.30 2.56 0.00 137 Q 8.34 4.29 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 138 L 8.33 3.97 0.00 1.92 1.95 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.11 3.96 0.00 2.74 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 0.00 140 Y 7.87 3.47 0.00 3.19 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 0.00 141 Y 8.48 3.91 0.00 3.29 3.04 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 0.00 142 E 8.91 4.11 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 143 A 8.11 4.21 0.69 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 0.00 0.00 144 A 8.00 3.91 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 0.00 145 L 8.23 3.99 0.00 1.99 1.91 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.31 3.98 0.00 2.10 2.25 0.00 3.30 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 147 Q 8.15 4.05 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 148 K 8.19 3.91 0.00 1.93 2.03 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 149 R 8.27 3.89 0.00 2.11 2.20 0.00 3.23 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 150 L 8.18 4.09 0.00 1.81 1.82 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.45 4.42 0.00 2.77 2.89 0.00 0.00 6.68 6.36 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 0.00 152 L 7.81 4.06 0.00 1.76 1.85 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.98 3.99 0.00 1.45 0.98 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.97 4.84 0.00 3.01 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 0.00 155 P 0.00 4.67 0.00 2.20 2.26 0.00 3.35 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 156 Q 7.89 4.31 0.00 2.11 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 157 K 9.20 4.36 0.00 1.75 1.71 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 158 S 8.04 4.36 0.00 3.54 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.20 0.00 1.97 2.04 0.00 2.78 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 160 Y 7.38 4.27 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.