NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5283 8.1627 120.3615 55.9818 34.4245 177.2788 2 M 3.9491 8.1232 117.5238 57.9714 32.2777 176.1549 3 D 4.3442 8.3944 117.9444 57.4766 41.7796 177.0785 4 Y 4.1319 7.9275 119.5791 60.7656 38.8524 177.7280 5 L 3.7452 8.3679 120.2790 57.5426 41.4326 179.6449 6 I 3.9679 7.8251 119.4717 64.7428 37.2511 178.4152 7 T 4.1183 8.1201 109.2909 63.7894 68.7335 175.1588 8 Q 4.3067 7.6671 118.7633 54.6400 29.3305 175.4447 9 N 4.0942 7.9304 114.1874 54.3007 36.2767 174.6709 10 G 3.9507 8.8860 100.5542 45.1299 0.0000 174.6965 11 G 3.9037 7.8304 110.9385 47.5215 0.0000 175.5690 12 M 4.0117 8.2133 120.0546 59.1148 32.0163 178.5440 13 V 3.5107 7.5920 111.8209 64.3156 31.5679 178.4920 14 F 4.4521 7.9021 116.8481 60.1628 38.7972 177.7796 15 A 4.0945 8.1123 120.3079 54.9455 18.2354 179.7022 16 V 3.5127 8.0320 117.0552 66.0697 31.6242 177.9843 17 L 4.0103 8.0706 119.9276 57.9950 41.8344 178.8073 18 A 4.1660 8.1349 122.1133 54.9752 18.4002 179.4633 19 M 3.9888 8.0819 116.9392 58.3993 32.0297 178.7672 20 A 3.9710 8.1419 121.0429 55.3681 18.2599 179.6232 21 T 3.9875 8.4406 108.3459 65.1309 68.3359 176.1345 22 A 4.0954 8.2079 124.1998 55.0074 18.4219 179.7870 23 T 3.8041 7.9151 113.9109 66.8862 68.5434 176.9705 24 I 3.5159 8.0387 121.8795 64.6388 37.2237 178.6949 25 F 4.1370 7.7978 118.1461 60.2931 38.6984 178.1485 26 S 4.3051 7.8512 114.0220 61.3599 62.8526 176.8060 27 G 3.5843 8.2328 109.4081 47.5215 0.0000 175.7102 28 I 3.7919 8.1466 122.8169 63.9329 37.1228 178.6669 29 G 3.6366 7.9650 106.3061 48.0500 0.0000 175.9316 30 S 4.5438 8.3982 119.1610 60.5979 62.7970 176.5451 31 A 3.9517 8.4019 123.8705 55.2337 18.0902 179.9194 32 K 4.0407 8.4047 117.2848 59.3977 32.1187 180.0119 33 G 3.5309 8.1352 106.0202 47.8633 0.0000 176.0025 34 V 3.9545 7.9532 123.1668 64.8266 31.5090 178.2117 35 G 3.5889 8.3300 105.8670 48.1585 0.0000 175.2537 36 M 4.2069 8.4407 121.8793 58.5559 32.2106 178.4928 37 T 4.0382 8.1158 116.0477 66.3582 68.5007 176.8567 38 G 3.7382 8.5110 108.2304 47.9718 0.0000 175.5148 39 E 3.9655 8.3429 120.6041 59.1442 29.5057 179.3698 40 A 3.9923 7.9022 120.2235 55.0616 18.4403 179.5608 41 A 3.9539 8.5165 119.5846 55.2246 18.3184 179.7680 42 A 3.9876 8.4354 119.4556 55.2019 18.2297 179.7177 43 A 3.9542 7.8031 118.4369 55.1772 18.7414 179.2811 44 L 4.0636 8.0137 118.8822 58.7011 40.7225 179.4090 45 T 4.2010 8.1240 115.6875 66.4329 68.0819 176.6460 46 T 4.1066 7.6757 111.5989 63.8028 68.7117 175.6328 47 S 4.6956 7.5220 113.1772 58.0031 66.4210 174.3026 48 Q 4.7656 8.3867 120.7540 53.5182 28.6982 174.2817 49 P 4.4637 0.0000 0.0000 64.8235 32.1905 178.8988 50 E 4.1678 8.1837 116.0006 58.0682 29.8894 177.2590 51 K 4.4757 8.0151 119.3679 56.4838 32.6059 177.8353 52 F 4.2934 8.3011 123.9918 61.5020 39.2805 177.3314 53 G 3.5224 8.1824 104.5509 48.1412 0.0000 175.4746 54 Q 3.9788 7.9854 120.1231 58.3325 28.7521 178.5189 55 A 3.9553 7.9736 122.0173 54.9252 18.4177 179.4836 56 L 3.7048 7.8616 119.3075 58.0374 41.8367 179.1962 57 I 3.6115 7.2067 118.5180 64.4193 37.2354 177.9666 58 L 4.0952 7.7514 119.6453 57.9386 40.9937 179.4126 59 Q 3.9375 7.9972 119.3816 58.9992 28.8592 178.0361 60 L 4.1936 7.6876 118.8608 56.2680 41.5400 178.8929 61 L 3.9261 7.2952 119.0394 57.6712 41.7048 177.0006 62 P 5.2596 0.0000 0.0000 62.6884 31.2721 177.9485 63 G 3.8243 8.2492 107.1681 46.1860 0.0000 176.2084 64 T 3.6587 7.7206 111.6682 63.9682 69.1140 176.5244 65 Q 4.3376 8.2991 121.0205 59.3448 28.8113 179.4008 66 G 3.6921 8.3924 106.4748 47.6690 0.0000 175.7817 67 L 3.9802 7.1548 119.2870 57.7664 41.5600 178.9204 68 Y 4.2808 7.9523 117.1638 61.1802 37.7865 179.0361 69 G 4.3434 8.2917 107.8127 47.3694 0.0000 175.3126 70 F 4.1906 8.4635 123.2584 61.0589 39.3264 177.3633 71 V 3.7328 8.4247 117.9941 66.1424 31.3920 177.9974 72 I 3.7996 8.4572 119.5226 64.4786 37.0105 178.2772 73 A 4.0101 8.3235 121.7366 55.1543 18.1769 179.5101 74 F 3.9582 8.3431 119.3877 61.1112 39.1818 177.2354 75 L 3.9679 8.1346 119.6749 57.9962 42.1444 178.7668 76 I 3.5748 7.7584 119.9743 63.9601 36.8562 177.8778 77 F 3.9201 7.9021 122.2098 61.2131 39.1175 176.9992 78 I 3.5113 7.1705 110.9834 62.3882 37.4411 176.0499 79 N 4.7959 7.6330 118.0686 52.9218 38.5965 174.7889 80 L 4.5278 7.2282 117.0888 55.4127 41.1675 178.1065 81 G 3.8507 7.6916 108.9175 45.1527 0.0000 172.8083 82 S 4.7488 7.3249 115.4604 57.4491 65.6100 174.2815 83 D 4.8531 8.3486 112.7445 52.7197 39.3375 175.9198 84 M 4.0516 8.1003 118.4437 56.7718 33.2403 176.2720 85 S 4.4476 8.4904 120.8188 57.8827 65.6105 175.3537 86 V 3.7423 8.2966 122.0023 66.1316 31.1914 178.2440 87 V 3.4726 7.7769 117.4799 66.2179 31.3996 177.6135 88 Q 3.9165 7.9552 118.9328 58.9620 28.8501 178.4208 89 G 3.9118 8.3359 106.7434 48.1079 0.0000 175.7495 90 L 3.9487 8.4448 122.2301 57.2576 41.5227 179.3442 91 N 4.2513 8.4308 116.9524 56.3131 38.1995 177.4387 92 F 4.3083 7.9412 118.1542 60.3388 39.2419 177.1316 93 L 4.3402 8.3680 120.1927 58.3215 41.8074 179.3316 94 G 3.6536 8.5451 105.7787 47.7756 0.0000 175.4692 95 A 4.0659 8.2452 123.2085 54.7021 18.4660 179.4553 96 S 4.3555 8.0000 111.9291 60.4981 63.3350 176.7381 97 L 4.1706 7.7303 123.4482 57.3697 41.4334 177.1978 98 P 4.3539 0.0000 0.0000 65.9164 31.3080 178.4934 99 I 3.8384 7.9248 116.9382 63.7991 37.8497 177.4993 100 A 3.9435 7.9592 121.4948 55.3818 18.2005 179.3892 101 F 4.5062 8.3581 115.6841 59.9284 39.3436 178.6317 102 T 4.2730 8.3859 109.9063 64.5020 68.5484 177.0077 103 G 3.6962 8.4481 108.7438 47.5878 0.0000 175.1688 104 L 3.9863 8.0858 123.6285 58.0486 42.1357 179.2053 105 F 4.2633 8.3951 117.6890 60.3110 38.8831 178.1109 106 S 4.4716 8.6903 114.2427 61.0654 62.9092 176.8662 107 G 3.6206 8.2484 109.6073 47.7006 0.0000 175.7836 108 I 3.7158 7.5913 122.3982 64.1036 36.7633 178.4095 109 A 4.0560 8.1515 121.5627 55.2811 18.2472 179.5057 110 Q 4.0865 8.6739 118.6368 59.1667 29.0617 178.3973 111 G 3.7292 8.3024 106.8944 47.9095 0.0000 175.7830 112 K 4.0211 7.8788 120.7748 59.1268 32.0616 179.7270 113 V 3.5936 7.5468 117.8322 65.9210 31.2862 177.9606 114 A 4.0314 8.2633 119.5847 55.1146 18.3807 179.1329 115 A 4.0725 8.4419 119.4365 55.3057 18.3500 179.6972 116 A 4.0924 8.2534 119.4003 55.2621 18.3875 180.0898 117 G 3.6512 8.2535 104.0997 47.6699 0.0000 175.9780 118 I 3.7754 7.5112 122.1998 64.5826 37.0690 178.4077 119 Q 4.0174 7.9791 119.0160 58.7074 28.3736 178.8258 120 I 3.7307 7.7382 120.5994 64.3201 37.0537 177.7972 121 L 3.8486 7.7345 119.5858 58.1648 41.8914 178.6409 122 A 4.1363 8.0632 119.8372 54.9678 18.4588 179.0461 123 K 4.3247 7.9792 114.8827 57.1575 34.4973 177.6153 124 K 4.7126 8.5748 117.9612 53.5385 32.6711 174.9235 125 P 4.5151 0.0000 0.0000 65.6481 31.6758 179.0990 126 E 4.0881 8.1668 114.9607 58.2416 29.9022 176.8554 127 H 4.7683 8.5616 116.8200 55.5836 29.2784 176.0609 128 A 4.0148 7.8676 124.5854 55.6819 17.9464 180.5845 129 T 3.8158 7.9266 113.7776 66.7176 68.4628 176.6082 130 K 3.7734 8.2845 120.7349 59.2246 32.0258 179.5564 131 G 3.7451 7.9979 105.5379 47.7710 0.0000 175.6209 132 I 3.7076 7.5359 121.9237 64.1765 36.9275 178.5730 133 I 3.6253 7.6910 120.4647 64.3913 36.7151 178.2570 134 F 4.5079 7.5653 116.9097 60.9453 38.9865 177.4436 135 A 4.2113 8.2193 119.8429 55.0817 17.9945 179.5188 136 A 4.0677 8.2838 118.5539 55.2407 18.4393 179.4306 137 M 4.2179 7.6766 116.6515 57.7669 32.5907 177.3927 138 V 4.0855 7.6724 120.2858 63.2407 31.6565 177.8113 *140 T 4.0804 7.9723 117.2636 63.7103 70.5368 176.4972 141 Y 4.1527 7.1698 118.3566 60.4729 37.8202 178.0096 142 A 4.1224 8.0473 121.7298 54.9321 18.5074 179.4611 143 I 3.1812 7.5553 117.8552 64.4765 37.2439 178.4240 144 L 4.0729 8.0012 119.8281 57.6999 41.3460 179.8494 145 G 3.8600 8.0975 106.9971 47.2104 0.0000 175.4009 146 F 4.2188 8.6219 123.7409 61.0359 39.2856 177.3927 147 V 3.3997 8.1064 118.0140 65.9609 31.3006 178.0461 148 I 3.6923 7.7502 119.5112 64.4939 36.8863 178.4115 149 S 4.4544 8.2281 117.5461 60.9177 62.7663 176.4911 150 F 3.7423 8.4149 123.3119 61.3348 38.8776 177.0535 151 L 4.0576 8.2287 118.5934 58.0183 41.2270 179.7025 152 L 3.9616 7.9035 117.7785 57.4890 41.6673 179.4241 153 V 3.8006 8.0196 118.6506 66.0866 31.3163 178.2041 154 L 3.9674 7.5584 116.9969 56.6501 41.4181 177.9110 155 N 4.7194 7.1861 114.3091 53.0076 39.1869 174.2276 156 A 3.8234 7.2810 127.5322 52.6538 18.2849 177.7111 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 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.12 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.39 4.34 0.00 2.80 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 4 Y 7.93 4.13 0.00 3.10 3.15 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 5 L 8.37 3.75 0.00 1.94 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.83 3.97 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.55 0.92 0.00 0.00 7 T 8.12 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 Q 7.67 4.31 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 9 N 7.93 4.09 0.00 2.88 2.91 0.00 0.00 6.90 7.83 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 10 G 8.89 3.95 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 0.00 0.00 0.00 11 G 7.83 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 0.00 0.00 0.00 12 M 8.21 4.01 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.59 3.51 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 0.67 0.00 0.00 0.16 0.00 0.00 14 F 7.90 4.45 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.11 4.09 1.25 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 0.00 0.00 0.00 16 V 8.03 3.51 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 0.99 0.00 0.00 0.93 0.00 0.00 17 L 8.07 4.01 0.00 2.03 2.00 1.01 1.40 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 18 A 8.13 4.17 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 19 M 8.08 3.99 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 20 A 8.14 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.44 3.99 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 1.53 0.00 0.00 22 A 8.21 4.10 1.54 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 0.00 0.00 23 T 7.92 3.80 4.37 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 1.30 0.00 0.00 24 I 8.04 3.52 1.42 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.22 0.00 0.00 25 F 7.80 4.14 0.00 2.83 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 26 S 7.85 4.31 0.00 4.21 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 0.00 27 G 8.23 3.58 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 0.00 28 I 8.15 3.79 1.98 0.00 0.00 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 1.38 0.70 0.89 0.00 0.00 29 G 7.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.54 0.00 3.89 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 31 A 8.40 3.95 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 32 K 8.40 4.04 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 G 8.14 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.95 3.95 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 1.19 0.00 0.00 0.94 0.00 0.00 35 G 8.33 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 0.00 0.00 0.00 36 M 8.44 4.21 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.12 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 G 8.51 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 39 E 8.34 3.97 0.00 2.23 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 2.34 2.54 0.00 40 A 7.90 3.99 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 41 A 8.52 3.95 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 42 A 8.44 3.99 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 43 A 7.80 3.95 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 L 8.01 4.06 0.00 1.81 1.87 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.12 4.20 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 1.25 0.00 0.00 46 T 7.68 4.11 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 1.31 0.00 0.00 47 S 7.52 4.70 0.00 3.98 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 48 Q 8.39 4.77 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.46 0.00 2.20 2.41 0.00 3.71 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 2.07 1.95 0.00 50 E 8.18 4.17 0.00 2.12 2.14 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 2.30 2.29 0.00 51 K 8.02 4.48 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.38 7.81 52 F 8.30 4.29 0.00 3.18 3.09 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 53 G 8.18 3.52 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 0.00 0.00 0.00 54 Q 7.99 3.98 0.00 2.12 2.13 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 2.43 2.45 0.00 55 A 7.97 3.96 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 56 L 7.86 3.70 0.00 1.00 1.36 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.21 3.61 1.94 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 1.45 0.67 0.86 0.00 0.00 58 L 7.75 4.10 0.00 1.85 1.71 0.92 0.81 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 59 Q 8.00 3.94 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 60 L 7.69 4.19 0.00 1.83 1.63 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.30 3.93 0.00 1.79 1.76 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.26 0.00 2.26 2.07 0.00 4.06 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 63 G 8.25 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 64 T 7.72 3.66 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 1.05 0.00 0.00 65 Q 8.30 4.34 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 66 G 8.39 3.69 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 0.00 67 L 7.15 3.98 0.00 1.54 1.51 0.72 0.61 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 68 Y 7.95 4.28 0.00 3.24 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 69 G 8.29 4.34 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 0.00 70 F 8.46 4.19 0.00 3.24 3.27 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 71 V 8.42 3.73 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 1.51 0.00 0.00 1.18 0.00 0.00 72 I 8.46 3.80 2.20 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.93 0.99 0.00 0.00 73 A 8.32 4.01 1.38 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 74 F 8.34 3.96 0.00 2.75 3.09 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 75 L 8.13 3.97 0.00 1.86 1.86 0.79 0.61 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 76 I 7.76 3.57 1.88 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 1.43 0.78 0.32 0.00 0.00 77 F 7.90 3.92 0.00 2.95 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 78 I 7.17 3.51 1.70 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 1.31 0.62 0.48 0.00 0.00 79 N 7.63 4.80 0.00 2.84 2.94 0.00 0.00 6.74 7.40 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 80 L 7.23 4.53 0.00 1.43 1.33 0.65 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.69 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.32 4.75 0.00 3.93 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 83 D 8.35 4.85 0.00 2.73 2.68 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 84 M 8.10 4.05 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.65 0.00 85 S 8.49 4.45 0.00 4.09 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 86 V 8.30 3.74 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 0.87 0.00 0.00 1.08 0.00 0.00 87 V 7.78 3.47 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 1.01 0.00 0.00 0.89 0.00 0.00 88 Q 7.96 3.92 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 89 G 8.34 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 90 L 8.44 3.95 0.00 1.65 1.57 0.67 -0.06 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 91 N 8.43 4.25 0.00 2.66 2.60 0.00 0.00 6.96 8.32 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 92 F 7.94 4.31 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 93 L 8.37 4.34 0.00 2.07 1.92 1.11 1.10 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 94 G 8.55 3.65 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 0.00 0.00 0.00 95 A 8.25 4.07 1.44 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 96 S 8.00 4.36 0.00 4.22 4.34 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 97 L 7.73 4.17 0.00 1.81 1.99 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.35 0.00 2.36 2.18 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.92 3.84 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.08 0.00 0.00 100 A 7.96 3.94 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 0.00 101 F 8.36 4.51 0.00 3.28 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 0.00 102 T 8.39 4.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 103 G 8.45 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 0.00 0.00 0.00 104 L 8.09 3.99 0.00 2.01 1.82 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.40 4.26 0.00 3.33 3.15 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 0.00 106 S 8.69 4.47 0.00 4.38 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 0.00 107 G 8.25 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 0.00 0.00 0.00 108 I 7.59 3.72 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.95 0.00 0.00 109 A 8.15 4.06 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 0.00 110 Q 8.67 4.09 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 111 G 8.30 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 0.00 112 K 7.88 4.02 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 113 V 7.55 3.59 2.25 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 1.10 0.00 0.00 1.00 0.00 0.00 114 A 8.26 4.03 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 0.00 115 A 8.44 4.07 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 0.00 116 A 8.25 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.25 3.65 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 0.00 0.00 0.00 118 I 7.51 3.78 2.06 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 1.73 0.97 0.97 0.00 0.00 119 Q 7.98 4.02 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 120 I 7.74 3.73 2.09 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 1.61 0.96 1.01 0.00 0.00 121 L 7.73 3.85 0.00 1.65 1.97 0.92 1.23 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 0.00 122 A 8.06 4.14 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 0.00 123 K 7.98 4.32 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.62 7.81 124 K 8.57 4.71 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.52 0.00 2.21 2.42 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.09 0.00 2.02 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 1.98 2.17 0.00 127 H 8.56 4.77 0.00 3.28 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.87 4.01 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 0.00 129 T 7.93 3.82 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 130 K 8.28 3.77 0.00 1.89 1.55 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 131 G 8.00 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 0.00 132 I 7.54 3.71 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 0.76 0.88 0.00 0.00 133 I 7.69 3.63 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.80 0.00 0.00 134 F 7.57 4.51 0.00 3.21 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 0.00 135 A 8.22 4.21 1.44 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 0.00 136 A 8.28 4.07 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 0.00 137 M 7.68 4.22 0.00 2.09 2.40 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 138 V 7.67 4.09 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 1.15 0.00 0.00 1.03 0.00 0.00 *140 T 7.97 4.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 141 Y 7.17 4.15 0.00 3.20 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 0.00 142 A 8.05 4.12 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 0.00 143 I 7.56 3.18 1.89 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 1.54 0.86 0.83 0.00 0.00 144 L 8.00 4.07 0.00 1.89 1.76 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.10 3.86 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 0.00 0.00 0.00 146 F 8.62 4.22 0.00 2.80 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.11 3.40 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 1.03 0.00 0.00 1.00 0.00 0.00 148 I 7.75 3.69 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.71 0.93 0.00 0.00 149 S 8.23 4.45 0.00 4.09 3.95 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 0.00 150 F 8.41 3.74 0.00 2.57 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 0.00 151 L 8.23 4.06 0.00 1.89 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.90 3.96 0.00 1.81 1.70 0.93 0.74 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 0.00 153 V 8.02 3.80 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 1.11 0.00 0.00 1.06 0.00 0.00 154 L 7.56 3.97 0.00 1.76 1.65 0.96 0.73 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 0.00 155 N 7.19 4.72 0.00 2.69 2.75 0.00 0.00 7.16 7.78 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 0.00 156 A 7.28 3.82 0.17 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 * Residues marked with a * may have inaccurate shift predictions.