NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9340 8.0932 114.7835 57.7340 64.4904 174.3133 2 L 3.8025 8.3012 120.1457 57.0692 41.0888 178.5600 3 L 3.9398 8.4376 120.2855 57.8264 41.8185 179.0532 4 E 3.9990 7.8369 117.9591 59.1558 29.4136 178.8654 5 L 4.0206 7.8245 120.4989 58.2262 42.1749 179.3181 6 G 3.5877 8.3732 105.9700 47.5475 0.0000 175.6165 7 K 3.8949 8.0052 121.8613 59.5374 32.2510 178.6615 8 M 3.8709 8.2033 119.2865 58.6263 31.7834 178.9010 9 I 3.5963 7.8030 119.7254 64.0929 37.2467 178.2308 10 L 4.0956 7.7406 122.4881 57.7093 41.7046 179.0041 11 Q 3.4297 7.7702 116.9474 58.6500 28.4830 178.3746 12 E 4.2835 7.8646 118.2707 58.9255 30.0187 178.3988 13 T 4.3448 8.1071 107.6166 61.1654 69.7262 175.9838 14 G 3.7264 7.8464 109.6200 46.0392 0.0000 173.1887 *16 K 4.3299 7.4333 117.6267 55.7105 33.3722 174.6013 17 N 4.6032 8.3699 119.3606 53.2499 39.3078 175.5400 18 A 4.2491 8.8584 129.6431 55.6058 19.2287 179.4345 19 I 3.8122 8.0762 116.4199 64.8081 37.4169 178.6292 20 T 4.0735 7.9956 108.9738 64.1116 69.0325 175.8654 21 S 4.4342 8.0163 116.7748 59.3122 63.2423 174.4136 22 Y 5.0055 8.0738 114.0144 57.4083 39.3048 176.6117 23 G 3.8513 8.3971 111.0340 47.9685 0.0000 173.7991 24 S 4.9368 7.7916 114.1958 57.1560 63.4535 170.1872 25 Y 5.1137 8.8954 125.5169 55.9965 41.9248 175.7324 26 G 3.5290 8.5207 117.0949 46.4873 0.0000 172.8753 27 C 4.8619 9.2128 118.2530 57.4764 40.8295 173.9741 28 N 4.9023 8.5814 114.8058 53.1596 40.9276 173.8459 29 C 4.5258 8.3131 116.4985 58.9204 39.9666 172.4261 30 G 4.6472 9.0340 110.5461 43.4131 0.0000 172.2139 31 W 4.3538 8.8520 130.2426 58.8534 30.8665 176.6854 32 G 3.6032 8.3143 113.3245 45.6756 0.0000 172.8902 33 H 4.4579 8.1667 117.6006 55.5070 28.6741 175.0147 34 R 4.6988 9.3288 122.8455 53.8593 33.7564 174.6966 35 G 4.3346 8.4093 107.5726 43.2090 0.0000 172.5609 36 Q 3.7697 7.6758 122.2663 54.9111 29.4287 174.5151 37 P 4.4656 0.0000 0.0000 63.0267 31.8799 176.5861 38 K 3.9751 8.4857 121.1081 58.2106 32.7533 175.8367 39 D 4.4432 7.0908 115.7875 51.4401 41.7353 175.5368 40 A 4.0028 8.5714 119.7805 55.6717 18.0933 179.8044 41 T 3.7767 7.9896 113.8453 66.9585 68.6105 176.0636 42 D 4.4345 8.6897 119.9368 57.3616 41.1211 178.2266 43 R 3.9867 8.1486 119.2909 59.5221 30.0924 177.5327 44 C 4.1227 8.4002 116.5675 60.6931 40.9689 175.8098 45 C 4.2819 7.9612 117.7806 59.6270 40.8684 175.9315 46 F 4.2485 8.4298 122.4728 61.3827 38.9870 177.2043 47 V 3.2124 7.9648 117.9921 66.1403 31.2399 177.3240 48 H 4.1082 8.2061 117.7277 59.3794 29.7538 177.4171 49 K 2.9429 7.9147 120.1068 59.2264 30.4717 178.6062 50 C 3.9203 7.7256 116.8582 59.9769 39.7917 175.4834 51 C 4.1870 7.7486 119.2233 59.6590 40.3237 174.7029 52 Y 4.1367 7.4626 118.3734 58.7771 37.8402 177.5372 53 K 4.0723 7.3324 119.7452 58.3824 32.1826 178.6167 54 K 4.1308 7.2024 118.0406 57.5613 33.0830 177.1590 55 L 4.2743 7.4092 121.5116 54.6648 42.3199 176.7148 56 T 4.3282 8.3503 111.6049 62.2622 70.2303 175.4076 *59 D 5.0170 8.1527 120.8290 54.3025 42.5840 173.4720 *61 C 4.4837 7.5866 113.5500 55.1840 38.2143 172.0476 *67 N 4.9062 8.1690 116.1620 53.5837 39.3007 174.3433 68 H 4.1555 8.7891 125.7144 59.0668 30.5854 177.3800 69 K 3.9268 8.3267 118.8609 58.6613 32.2090 178.4195 70 T 4.2988 7.8822 106.1949 61.6947 70.4387 173.9928 71 D 4.5697 7.8377 122.6294 53.4005 40.8643 176.5933 72 R 4.2848 8.6036 123.2322 55.6707 30.8119 175.2382 73 Y 5.0678 7.5005 117.0332 55.7097 41.2813 174.1039 74 S 4.9836 9.2717 117.2384 57.5268 63.9054 173.6208 75 Y 5.2322 8.4955 121.4432 55.8379 41.4282 174.1639 76 S 4.5767 9.2805 115.7451 56.5810 66.6945 173.6619 77 W 5.2604 8.8200 134.2111 55.9534 30.4098 174.2195 78 K 4.3541 8.6664 127.3875 55.2352 34.0666 175.9594 79 N 4.3331 9.3488 123.3513 54.4218 36.0786 173.9286 80 K 2.4800 7.4880 110.4038 56.5090 29.8113 175.3686 81 A 4.4347 6.4815 118.6396 50.6596 22.5082 175.6383 82 I 5.0765 8.3366 120.2252 60.4709 38.6398 175.7291 83 I 4.5554 9.0307 127.9575 59.4904 40.4069 174.2202 84 C 4.5979 8.7962 125.4796 56.1813 41.0261 174.3063 *86 E 4.9455 8.2136 126.0339 56.7630 29.2554 175.9227 87 E 4.7118 7.9816 118.9598 54.3133 32.2921 175.5669 88 K 4.0989 8.7040 125.4946 58.8742 32.8075 177.5027 89 N 4.4272 8.9362 118.8062 52.7781 39.5694 173.4399 90 P 4.2172 0.0000 0.0000 66.0188 31.5380 179.1091 91 C 4.2733 8.1961 116.5953 59.7113 44.0014 175.4435 92 L 3.8504 8.8072 120.8645 57.1624 41.0825 179.3628 93 K 3.7942 8.3245 120.4604 59.4564 32.1225 178.7251 94 E 3.8942 8.0946 118.8757 59.4916 29.2973 179.1755 95 M 4.0071 8.0075 118.7584 58.5261 32.0471 177.9204 96 C 3.4711 7.6928 118.5970 59.5244 42.2692 175.5195 97 E 3.8938 8.2276 120.2699 59.4123 28.9551 178.7142 98 C 4.3049 8.2825 116.6615 60.1629 41.1217 175.9583 99 D 4.2981 8.2630 120.4786 57.1445 40.4431 178.5431 100 K 3.7922 8.4329 120.3617 59.5847 32.0653 178.6172 101 A 3.9966 7.9973 121.1213 55.1334 18.2346 180.0386 102 V 3.4642 7.8317 117.5720 64.6467 31.4564 178.5319 103 A 3.8150 7.9874 121.4097 54.9305 18.1519 179.6505 104 I 3.6370 7.7975 118.2962 64.6281 37.0745 177.8036 105 C 4.2102 8.3350 119.4340 59.7499 43.2395 175.6457 106 L 3.8322 7.8761 119.6665 57.6643 41.2823 179.1776 107 R 4.0304 7.9403 118.7096 59.4617 29.8804 178.2069 108 E 4.1275 8.4074 117.6675 58.0939 29.9267 177.3964 109 N 5.1225 7.5423 115.4599 53.2126 39.4185 176.4651 110 L 4.1740 7.8135 124.5703 57.8044 41.3861 179.0042 111 D 4.5066 8.2728 117.4495 55.5422 39.4435 176.9006 112 T 4.5515 7.6576 107.3966 60.9100 69.0307 173.5100 113 Y 4.0936 7.8793 124.0663 58.5315 39.3438 174.7203 114 N 5.1010 8.8598 124.5570 50.9008 41.3926 175.0302 115 K 4.0765 8.7711 126.1797 58.8591 32.1946 179.0238 116 K 3.8015 7.9434 119.4131 59.6620 32.2536 177.7260 117 Y 4.1210 6.9313 115.9346 58.0749 37.6139 176.7693 118 K 5.0677 7.9199 118.3144 56.6330 32.8587 176.5329 119 A 4.4701 7.4719 122.0219 49.8179 20.0576 176.6149 120 Y 3.6607 8.5089 122.0631 60.0661 38.1295 177.8805 121 F 4.1676 6.2491 113.8485 58.5305 38.3868 176.3843 122 K 3.9333 7.0634 120.9788 58.0752 32.1631 176.5500 *124 F 4.9299 7.5503 112.0589 56.6572 38.8475 174.0520 125 K 4.5855 8.5401 119.8517 54.9803 34.0821 176.5453 126 C 4.8819 8.4280 118.6181 55.3314 37.6503 173.5889 *128 K 4.2818 8.3721 122.1707 55.6805 33.8411 175.1390 129 K 4.2215 8.5326 120.1095 56.1369 32.4683 175.8671 130 P 4.1076 0.0000 0.0000 62.6842 31.8471 176.3732 131 E 4.2886 7.9707 121.7345 55.6033 30.5312 176.3998 132 T 4.3932 8.0356 110.0971 61.1779 69.9998 175.5725 133 C 4.4143 8.6831 118.9863 57.4783 41.2128 173.7877 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 S 8.09 4.93 0.00 4.12 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 2 L 8.30 3.80 0.00 1.67 1.74 0.94 0.42 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 3 L 8.44 3.94 0.00 1.59 1.66 0.88 1.12 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 4 E 7.84 4.00 0.00 1.66 1.72 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 1.69 2.38 0.00 5 L 7.82 4.02 0.00 1.94 1.78 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.37 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 7 K 8.01 3.89 0.00 1.99 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.42 7.81 8 M 8.20 3.87 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 9 I 7.80 3.60 1.98 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 1.21 0.72 0.96 0.00 0.00 10 L 7.74 4.10 0.00 1.71 1.72 0.92 0.50 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 11 Q 7.77 3.43 0.00 1.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 1.24 1.94 0.00 12 E 7.86 4.28 0.00 1.98 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 2.37 2.50 0.00 13 T 8.11 4.34 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 G 7.85 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 *16 K 7.43 4.33 0.00 1.91 1.63 0.00 1.50 0.00 0.00 1.06 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.47 7.81 17 N 8.37 4.60 0.00 2.70 2.68 0.00 0.00 6.82 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 18 A 8.86 4.25 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 19 I 8.08 3.81 2.02 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 1.51 1.03 0.95 0.00 0.00 20 T 8.00 4.07 4.26 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 1.23 0.00 0.00 21 S 8.02 4.43 0.00 3.63 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 22 Y 8.07 5.01 0.00 3.12 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 23 G 8.40 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 24 S 7.79 4.94 0.00 3.99 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 25 Y 8.90 5.11 0.00 3.09 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 26 G 8.52 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 27 C 9.21 4.86 0.00 3.11 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 28 N 8.58 4.90 0.00 3.09 2.99 0.00 0.00 6.96 7.26 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 29 C 8.31 4.53 0.00 3.49 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 30 G 9.03 4.65 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 31 W 8.85 4.35 0.00 3.32 3.21 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 32 G 8.31 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.17 4.46 0.00 3.38 3.55 0.00 5.80 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 34 R 9.33 4.70 0.00 1.70 1.77 0.00 3.42 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 35 G 8.41 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 3.77 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 37 P 0.00 4.47 0.00 2.00 2.03 0.00 3.59 0.00 0.00 3.30 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 38 K 8.49 3.98 0.00 0.79 0.96 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 0.43 7.81 39 D 7.09 4.44 0.00 2.80 2.70 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 40 A 8.57 4.00 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 41 T 7.99 3.78 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 0.82 0.00 0.00 42 D 8.69 4.43 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.15 3.99 0.00 2.04 2.11 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 44 C 8.40 4.12 0.00 3.16 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 45 C 7.96 4.28 0.00 3.16 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 46 F 8.43 4.25 0.00 3.18 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.96 3.21 2.19 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 0.94 0.00 0.00 0.95 0.00 0.00 48 H 8.21 4.11 0.00 3.34 3.50 0.00 5.66 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 49 K 7.91 2.94 0.00 1.73 1.47 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.76 7.81 50 C 7.73 3.92 0.00 2.72 2.83 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 51 C 7.75 4.19 0.00 3.00 3.25 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 52 Y 7.46 4.14 0.00 3.11 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 53 K 7.33 4.07 0.00 1.57 1.76 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.72 7.81 54 K 7.20 4.13 0.00 2.01 1.86 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.44 7.81 55 L 7.41 4.27 0.00 1.84 1.66 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.35 4.33 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 1.26 0.00 0.00 *59 D 8.15 5.02 0.00 2.84 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 *61 C 7.59 4.48 0.00 3.32 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 *67 N 8.17 4.91 0.00 2.80 2.89 0.00 0.00 7.32 7.89 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 68 H 8.79 4.16 0.00 2.87 2.92 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.33 3.93 0.00 2.05 1.84 0.00 1.79 0.00 0.00 2.01 0.00 0.00 3.13 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.56 1.46 7.81 70 T 7.88 4.30 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 1.22 0.00 0.00 71 D 7.84 4.57 0.00 2.94 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 72 R 8.60 4.28 0.00 1.77 1.77 0.00 3.17 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 73 Y 7.50 5.07 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.27 4.98 0.00 4.02 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 75 Y 8.50 5.23 0.00 3.21 3.11 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 76 S 9.28 4.58 0.00 3.90 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 77 W 8.82 5.26 0.00 3.43 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 78 K 8.67 4.35 0.00 1.79 1.55 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.33 7.81 79 N 9.35 4.33 0.00 2.73 2.73 0.00 0.00 7.13 7.61 0.00 0.00 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 K 7.49 2.48 0.00 1.64 1.68 0.00 1.89 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.30 7.81 81 A 6.48 4.43 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.34 5.08 2.00 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 1.72 1.18 0.96 0.00 0.00 83 I 9.03 4.56 1.95 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 1.25 0.83 0.95 0.00 0.00 84 C 8.80 4.60 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.95 0.00 1.96 2.04 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 2.26 2.35 0.00 87 E 7.98 4.71 0.00 2.14 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 2.16 2.55 0.00 88 K 8.70 4.10 0.00 1.81 1.86 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.38 7.81 89 N 8.94 4.43 0.00 2.75 2.86 0.00 0.00 7.11 7.25 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 90 P 0.00 4.22 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 91 C 8.20 4.27 0.00 2.99 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 92 L 8.81 3.85 0.00 1.84 1.79 1.07 1.03 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 93 K 8.32 3.79 0.00 2.01 1.93 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 94 E 8.09 3.89 0.00 2.17 1.95 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 2.53 2.47 0.00 95 M 8.01 4.01 0.00 2.07 2.15 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 2.87 0.00 96 C 7.69 3.47 0.00 1.66 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 97 E 8.23 3.89 0.00 2.08 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 2.45 2.45 0.00 98 C 8.28 4.30 0.00 3.19 3.22 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 99 D 8.26 4.30 0.00 2.87 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 0.00 100 K 8.43 3.79 0.00 1.75 1.98 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.49 7.81 101 A 8.00 4.00 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 0.00 102 V 7.83 3.46 1.89 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 0.70 0.00 0.00 0.82 0.00 0.00 103 A 7.99 3.82 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 0.00 104 I 7.80 3.64 1.87 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 1.46 0.78 0.92 0.00 0.00 105 C 8.33 4.21 0.00 3.08 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 0.00 106 L 7.88 3.83 0.00 1.51 1.37 0.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.94 4.03 0.00 1.94 2.17 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.03 0.00 108 E 8.41 4.13 0.00 2.11 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 2.33 2.41 0.00 109 N 7.54 5.12 0.00 2.83 2.81 0.00 0.00 6.83 7.94 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 0.00 110 L 7.81 4.17 0.00 1.67 1.75 1.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.27 4.51 0.00 2.82 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 0.00 112 T 7.66 4.55 4.32 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 1.26 0.00 0.00 113 Y 7.88 4.09 0.00 3.08 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 0.00 114 N 8.86 5.10 0.00 2.73 2.51 0.00 0.00 6.86 5.60 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 0.00 115 K 8.77 4.08 0.00 1.84 1.87 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.69 7.81 116 K 7.94 3.80 0.00 1.68 1.77 0.00 0.84 0.00 0.00 1.31 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 0.31 7.81 117 Y 6.93 4.12 0.00 1.50 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 0.00 0.00 0.00 118 K 7.92 5.07 0.00 1.88 1.93 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.67 1.38 7.81 119 A 7.47 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.51 3.66 0.00 2.89 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 0.00 121 F 6.25 4.17 0.00 2.89 2.65 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 0.00 122 K 7.06 3.93 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.41 7.81 *124 F 7.55 4.93 0.00 3.28 3.23 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 0.00 125 K 8.54 4.59 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.46 7.81 126 C 8.43 4.88 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 K 8.37 4.28 0.00 1.75 1.76 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.38 7.81 129 K 8.53 4.22 0.00 1.60 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 130 P 0.00 4.11 0.00 2.00 1.91 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 131 E 7.97 4.29 0.00 1.69 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 2.16 0.00 132 T 8.04 4.39 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 1.23 0.00 0.00 133 C 8.68 4.41 0.00 2.92 2.89 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 * Residues marked with a * may have inaccurate shift predictions.