NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 H 4.7474 8.4444 117.3629 52.6428 30.5862 172.3422 -1 S 4.6486 8.0334 113.4664 55.2757 65.0320 173.2821 0 H 5.4339 9.1368 124.7640 53.1958 27.9850 173.7950 0 K 5.0239 9.0068 126.9640 54.3958 32.0850 176.2950 3 S 4.4499 8.8927 117.2124 57.6736 64.9552 175.3880 4 K 3.8741 8.5109 122.8746 59.6800 32.1913 178.1208 5 F 4.2945 8.2270 120.2985 61.4566 39.5159 176.7327 6 E 3.8216 8.4475 117.9361 59.3737 29.0633 179.2817 7 A 3.9646 8.0796 121.0351 54.7803 18.4606 179.6780 8 S 4.0801 7.7572 112.7693 60.7971 63.1857 176.1123 9 I 3.8001 6.9813 115.4343 62.5774 37.2444 177.4822 10 D 4.3192 7.7490 122.0873 57.5519 40.8100 177.5216 11 N 4.8158 7.8713 113.3831 53.1190 37.3708 175.4091 12 L 4.5168 7.7386 117.9329 54.8932 42.2546 178.5381 13 K 3.9466 7.7417 118.7749 58.7087 32.0216 177.6053 14 E 4.4983 8.0350 115.8279 55.8730 29.8277 175.1686 15 I 4.2138 7.4102 120.9911 59.7939 38.1223 175.9954 16 E 4.1304 8.4277 125.1667 55.7757 30.4893 175.9125 *18 N 4.5734 8.2748 116.2716 53.0154 39.5562 175.0907 19 A 4.1124 8.3896 122.4068 54.9660 18.4393 179.4618 20 Y 4.0545 8.1932 117.9121 60.9839 38.8298 177.9535 21 A 3.7374 8.1990 121.1355 55.1697 18.4093 178.8220 22 Y 3.9546 7.8213 118.0077 61.0753 38.9214 178.1614 23 E 3.8718 8.5729 119.7346 59.0114 29.4400 179.0013 24 L 3.7376 7.9052 120.8923 58.2159 42.0220 179.2838 25 I 3.6374 7.2705 119.3810 64.3553 36.9405 178.4267 26 R 3.7769 7.7911 118.5224 58.1736 29.9826 177.1698 27 E 4.5721 8.2087 115.2809 55.8821 30.9029 176.1376 28 I 4.2883 7.3351 116.4804 62.6782 39.5783 177.3717 29 V 3.6735 7.8399 118.5138 65.9329 31.2907 177.7943 30 L 3.9576 7.6997 118.5795 57.9731 42.0371 177.0517 31 P 4.6814 0.0000 0.0000 65.0980 31.3341 177.8663 32 D 4.4655 7.4989 116.3535 53.3993 38.5047 176.8874 *34 L 4.2075 7.8358 120.4736 55.6476 42.5011 178.5078 35 G 4.2360 7.9915 124.0960 44.8639 0.0000 174.0977 36 Q 3.7283 8.7426 123.0460 59.4634 28.6636 178.3392 37 D 4.8446 7.5936 118.9184 52.4887 39.0999 178.3681 38 Y 4.2656 7.8671 123.9318 60.5070 39.7921 176.9755 39 S 4.4594 8.3594 113.6478 61.5543 63.9576 175.5936 40 S 4.4436 7.7887 118.5083 58.5848 60.4563 173.5570 *43 Y 4.8286 7.7851 124.7286 57.2905 40.9520 176.7650 44 W 4.0572 8.5163 128.7343 60.4734 30.6370 177.6946 45 A 3.7561 8.4078 120.3759 54.9817 17.8557 179.6115 46 G 3.5183 7.9064 103.6741 47.9368 0.0000 175.9032 47 K 3.7565 7.5380 120.6738 59.2773 31.5148 178.9787 48 H 3.7793 7.7656 118.7975 58.8452 29.5774 177.1490 49 L 3.9347 8.1989 122.3831 58.1080 41.7678 178.6993 50 A 3.6421 7.7878 119.6621 55.1531 18.2870 179.3189 51 R 3.9015 7.7746 116.3911 58.4227 30.2121 177.8021 52 K 4.3485 7.4851 115.6203 56.2880 34.6398 176.2995 53 F 4.8321 8.0756 118.6903 55.8824 38.8880 173.9983 54 P 4.5686 0.0000 0.0000 62.6072 32.3495 176.5922 55 L 4.8901 8.4009 121.4091 52.8278 44.4872 176.8185 56 E 4.1199 8.9095 123.1097 58.5650 30.2378 176.7845 57 S 4.5596 8.1949 111.8868 55.0684 66.2551 174.8846 58 W 2.5400 7.9583 118.7204 58.3017 27.7671 177.9264 59 E 3.8314 6.9459 118.2766 58.2617 29.2198 177.6339 60 E 4.3546 7.7703 118.0449 57.1069 29.7690 178.2404 61 F 4.7736 8.0037 119.1849 60.3808 38.9681 175.5480 62 P 4.3215 0.0000 0.0000 65.6586 31.2086 178.4789 63 A 4.0335 8.1434 119.0567 55.0773 18.3520 179.3049 64 F 3.8124 8.4521 119.0710 61.3990 39.4625 177.3575 65 F 3.8584 9.0969 117.9015 60.4083 38.7266 177.1888 66 E 3.9114 8.4914 118.9773 59.4675 29.2791 178.5911 67 E 3.7683 7.7285 117.5308 58.7986 29.7363 177.7304 68 A 3.6895 7.1453 118.0919 51.4315 18.3830 177.7510 69 G 3.5800 7.2692 105.1821 46.0506 0.0000 175.0470 70 W 4.5757 7.9891 119.0812 56.2961 29.4360 175.0292 71 G 3.7419 8.1335 102.9222 44.3053 0.0000 172.8076 72 T 4.4350 8.9102 116.5607 62.4950 69.2889 174.0661 73 L 5.1955 8.5522 129.1464 53.7617 43.8643 175.6267 74 T 4.8305 9.1004 122.6608 61.6088 72.2689 172.6570 75 N 4.7076 9.1981 125.3352 53.7518 39.1429 174.7324 76 V 4.5275 8.4437 118.7180 61.3897 34.1373 175.4583 77 S 4.5041 7.4187 113.2518 57.1935 66.0511 174.1079 78 A 4.9267 7.8087 121.8936 50.7346 18.7579 175.2932 79 K 4.1972 7.4600 123.4801 54.1881 33.9253 176.5567 80 K 3.8345 8.3680 120.8697 58.1903 32.2879 176.1176 81 Q 2.5200 8.5258 125.3170 55.6764 26.2856 172.3912 82 E 4.6524 6.7855 114.9961 54.9968 33.3010 174.0820 83 L 4.7068 8.9309 123.9299 52.8206 46.0119 174.8969 84 E 4.9517 8.3977 124.1083 54.3820 32.1007 174.6231 85 F 5.4183 9.4485 124.9005 55.7666 43.3133 173.7613 86 E 5.1747 9.4569 120.8076 54.5692 32.7461 174.7835 87 L 5.3762 8.9587 125.2915 53.3564 45.2607 175.1520 88 E 4.9886 9.0756 123.0752 55.2926 33.8979 173.7613 89 G 4.7533 8.9255 106.0720 42.6378 0.0000 172.4047 90 P 4.2862 0.0000 0.0000 65.8182 31.2746 179.2067 91 I 3.8487 7.7710 117.9428 64.4069 37.0412 178.4173 92 I 3.9567 7.8464 120.2557 64.5401 37.0507 178.4154 93 S 4.3866 8.5354 117.8152 61.1301 62.5440 176.3370 94 N 4.3993 8.2312 119.4996 56.6074 38.6334 177.1837 95 R 3.9681 8.0511 119.3146 59.4263 30.0185 179.1246 96 L 4.0754 8.0839 117.5648 57.4549 41.6046 179.2483 97 K 4.0599 8.0777 119.1891 59.0961 32.2751 177.1848 98 H 4.8350 7.9003 113.1976 55.6631 30.6586 174.3790 99 Q 4.4807 8.0768 119.6598 53.9967 29.9568 176.1867 100 K 3.9385 8.8700 124.7949 58.9796 32.2668 177.3848 101 E 4.5745 7.5611 118.0597 53.0239 29.5916 172.7582 102 P 4.5248 0.0000 0.0000 62.8374 32.3079 175.5213 103 C 5.0169 7.8593 120.1665 57.8621 34.3509 173.8527 104 F 5.0526 9.2197 125.7777 55.9032 39.8669 177.5895 105 Q 4.2261 8.4096 122.1706 58.6656 28.5811 177.6269 106 L 3.7723 7.7658 121.1448 58.2187 41.6988 178.7149 107 E 3.5068 7.7855 117.6425 59.1822 29.4134 179.1221 108 A 4.2784 8.3066 120.9435 55.2076 18.4740 179.9887 109 G 2.8452 8.4021 104.5626 47.4113 0.0000 175.6611 110 F 4.0770 8.1637 123.0077 61.2264 39.4526 177.3738 111 I 3.2243 7.8888 119.1272 63.9783 36.8856 178.1598 112 A 4.0361 8.0317 121.6780 55.3925 18.2256 179.4081 113 E 3.8052 8.1031 117.7371 59.2291 29.4133 178.8571 114 Q 3.8320 7.5363 117.3234 59.0918 28.8663 178.7225 115 I 3.8407 7.6090 119.3957 64.4015 37.4167 177.9982 116 Q 4.3560 8.0591 121.7393 58.3007 28.6251 177.6753 117 L 4.0417 7.7074 119.0913 54.8887 42.2732 177.5303 *119 N 4.4777 8.0573 114.7610 51.5570 38.8595 173.6868 120 D 4.5126 8.1403 117.0685 55.5770 38.8025 173.3056 121 Q 4.7585 8.0905 116.5451 53.5560 32.4088 175.0174 122 I 4.3791 8.3817 120.9578 61.7948 38.0064 174.9514 123 A 5.4856 9.2021 128.5658 50.3725 22.0049 174.9200 124 E 4.9128 9.2792 118.8754 54.9204 34.4680 174.6677 125 S 5.4122 8.8842 117.5226 57.1076 65.9369 173.3351 126 Y 4.7535 9.3486 120.1886 56.1747 41.3699 174.1014 127 E 5.2208 9.0022 123.7839 54.6209 32.5160 175.2034 128 Q 4.4798 9.1362 124.5859 54.0646 32.4961 174.4786 129 V 3.9687 8.5650 125.1939 62.6118 32.5225 176.3350 130 K 4.4931 8.9461 128.5652 53.9489 31.8625 176.7485 131 K 3.9293 8.4500 123.9876 59.4103 32.4982 179.3573 132 R 4.0908 8.0024 115.2216 57.7319 30.1575 176.7080 133 A 4.5474 7.7910 119.1428 50.7136 20.1744 175.3220 134 D 4.3871 7.9484 116.0190 54.6039 40.2459 172.2614 135 K 4.7609 7.3808 115.2465 55.9831 36.7849 175.2867 136 V 4.6666 8.5138 120.4717 61.0259 34.4044 174.1372 137 V 4.8191 8.7624 127.6333 61.2248 33.7868 174.1245 138 L 5.3136 9.0479 127.8866 53.3531 44.6153 175.4279 139 T 5.3236 9.3044 121.2874 61.6185 71.8485 173.3753 140 V 5.1719 9.0734 125.9889 59.9579 34.2933 174.8443 141 K 5.1642 9.4280 123.2757 54.3114 35.9363 175.1346 142 W 6.2242 7.9081 118.8868 53.9164 31.7964 175.0267 143 D 4.6268 8.7303 119.2004 54.7693 41.3518 175.7337 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 H 8.44 4.75 0.00 2.95 2.85 0.00 7.14 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 -1 S 8.03 4.65 0.00 3.91 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 H 9.14 5.43 0.00 3.43 3.24 0.00 5.22 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 K 9.01 5.02 0.00 1.98 1.83 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.34 7.81 3 S 8.89 4.45 0.00 4.10 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 4 K 8.51 3.87 0.00 1.79 1.94 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.51 7.81 5 F 8.23 4.29 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.45 3.82 0.00 2.29 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 2.52 2.57 0.00 7 A 8.08 3.96 1.30 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 0.00 0.00 0.00 8 S 7.76 4.08 0.00 4.03 4.21 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 9 I 6.98 3.80 1.75 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 1.64 0.74 0.34 0.00 0.00 10 D 7.75 4.32 0.00 2.77 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 11 N 7.87 4.82 0.00 2.80 2.88 0.00 0.00 6.95 8.26 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 12 L 7.74 4.52 0.00 1.80 1.70 0.92 0.67 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 13 K 7.74 3.95 0.00 1.73 1.80 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 E 8.03 4.50 0.00 1.91 1.93 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 2.20 2.27 0.00 15 I 7.41 4.21 1.98 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 1.29 0.50 0.92 0.00 0.00 16 E 8.43 4.13 0.00 1.96 1.93 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 2.31 2.29 0.00 *18 N 8.27 4.57 0.00 3.02 3.05 0.00 0.00 5.84 7.46 0.00 0.00 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 A 8.39 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.19 4.05 0.00 3.03 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 21 A 8.20 3.74 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 22 Y 7.82 3.95 0.00 2.94 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 0.00 23 E 8.57 3.87 0.00 2.00 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 2.65 2.55 0.00 24 L 7.91 3.74 0.00 1.31 1.57 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.27 3.64 1.70 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 1.32 0.62 0.82 0.00 0.00 26 R 7.79 3.78 0.00 1.09 1.54 0.00 3.10 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 27 E 8.21 4.57 0.00 1.97 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 2.14 2.73 0.00 28 I 7.34 4.29 2.00 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 0.54 0.88 0.00 0.00 29 V 7.84 3.67 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 0.96 0.00 0.00 0.93 0.00 0.00 30 L 7.70 3.96 0.00 1.76 1.88 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.68 0.00 2.04 2.05 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 32 D 7.50 4.47 0.00 2.73 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 L 7.84 4.21 0.00 1.79 1.77 0.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.99 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 0.00 0.00 0.00 0.00 36 Q 8.74 3.73 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.62 0.00 0.00 0.00 0.00 0.00 2.29 1.98 0.00 37 D 7.59 4.84 0.00 2.69 2.53 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 38 Y 7.87 4.27 0.00 3.28 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 39 S 8.36 4.46 0.00 4.09 4.13 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 40 S 7.79 4.44 0.00 3.93 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 *43 Y 7.79 4.83 0.00 3.25 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.52 4.06 0.00 3.47 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 45 A 8.41 3.76 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 46 G 7.91 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 47 K 7.54 3.76 0.00 1.64 1.62 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.56 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.28 1.15 7.81 48 H 7.77 3.78 0.00 1.86 2.82 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.20 3.93 0.00 2.09 2.06 1.01 1.18 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 50 A 7.79 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.77 3.90 0.00 1.70 2.05 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 52 K 7.49 4.35 0.00 1.64 1.95 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.61 7.81 53 F 8.08 4.83 0.00 3.27 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 54 P 0.00 4.57 0.00 2.03 1.96 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 55 L 8.40 4.89 0.00 1.75 1.65 1.21 0.99 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 56 E 8.91 4.12 0.00 1.89 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 2.24 2.29 0.00 57 S 8.19 4.56 0.00 3.79 3.68 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 58 W 7.96 2.54 0.00 2.93 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 59 E 6.95 3.83 0.00 1.48 1.74 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 1.73 1.47 0.00 60 E 7.77 4.35 0.00 2.24 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 2.30 2.26 0.00 61 F 8.00 4.77 0.00 3.09 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 62 P 0.00 4.32 0.00 2.26 2.35 0.00 3.89 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 63 A 8.14 4.03 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 64 F 8.45 3.81 0.00 3.40 3.42 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 65 F 9.10 3.86 0.00 3.38 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 66 E 8.49 3.91 0.00 2.12 2.09 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 2.30 2.32 0.00 67 E 7.73 3.77 0.00 1.92 1.53 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 2.03 2.14 0.00 68 A 7.15 3.69 -0.31 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 69 G 7.27 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 70 W 7.99 4.58 0.00 3.19 2.98 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 71 G 8.13 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 72 T 8.91 4.44 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 73 L 8.55 5.20 0.00 1.42 1.43 0.61 -0.21 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 74 T 9.10 4.83 4.31 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 1.28 0.00 0.00 75 N 9.20 4.71 0.00 2.93 2.91 0.00 0.00 6.95 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.44 4.53 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 0.87 0.00 0.00 0.92 0.00 0.00 77 S 7.42 4.50 0.00 3.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.81 4.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.46 4.20 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.33 7.81 80 K 8.37 3.83 0.00 1.64 1.63 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 81 Q 8.53 2.52 0.00 1.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 82 E 6.79 4.65 0.00 1.54 1.47 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 2.09 2.29 0.00 83 L 8.93 4.71 0.00 1.72 0.93 0.10 -0.50 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 84 E 8.40 4.95 0.00 1.93 1.60 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 2.15 2.23 0.00 85 F 9.45 5.42 0.00 3.10 2.87 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 86 E 9.46 5.17 0.00 1.88 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 0.00 2.24 2.23 0.00 87 L 8.96 5.38 0.00 1.72 1.37 1.28 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.08 4.99 0.00 2.12 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 2.22 2.35 0.00 89 G 8.93 4.75 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 90 P 0.00 4.29 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 91 I 7.77 3.85 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.44 1.05 0.00 0.00 92 I 7.85 3.96 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.86 0.97 0.00 0.00 93 S 8.54 4.39 0.00 4.03 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 94 N 8.23 4.40 0.00 2.94 3.04 0.00 0.00 7.24 7.44 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 95 R 8.05 3.97 0.00 2.28 2.03 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 96 L 8.08 4.08 0.00 1.65 1.78 0.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.08 4.06 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.04 1.36 7.81 98 H 7.90 4.83 0.00 3.16 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.08 4.48 0.00 2.25 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 100 K 8.87 3.94 0.00 1.70 1.82 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 101 E 7.56 4.57 0.00 2.02 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 2.11 2.21 0.00 102 P 0.00 4.52 0.00 2.37 2.14 0.00 3.72 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 103 C 7.86 5.02 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.22 5.05 0.00 3.25 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.41 4.23 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 106 L 7.77 3.77 0.00 1.49 1.22 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.79 3.51 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.47 0.00 108 A 8.31 4.28 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.40 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 0.00 0.00 0.00 110 F 8.16 4.08 0.00 3.18 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 0.00 111 I 7.89 3.22 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.85 1.00 0.00 0.00 112 A 8.03 4.04 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 0.00 113 E 8.10 3.81 0.00 1.88 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 2.34 2.22 0.00 114 Q 7.54 3.83 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 115 I 7.61 3.84 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.94 0.56 0.00 0.00 116 Q 8.06 4.36 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.14 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 117 L 7.71 4.04 0.00 1.74 1.62 0.82 0.83 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 *119 N 8.06 4.48 0.00 2.68 2.72 0.00 0.00 6.27 8.06 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 0.00 120 D 8.14 4.51 0.00 2.86 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 0.00 121 Q 8.09 4.76 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 122 I 8.38 4.38 1.96 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 1.34 1.27 0.99 0.00 0.00 123 A 9.20 5.49 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 0.00 124 E 9.28 4.91 0.00 1.84 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 125 S 8.88 5.41 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 0.00 126 Y 9.35 4.75 0.00 2.94 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 E 9.00 5.22 0.00 2.07 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 2.29 2.42 0.00 128 Q 9.14 4.48 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 129 V 8.57 3.97 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 0.84 0.00 0.00 1.09 0.00 0.00 130 K 8.95 4.49 0.00 1.79 1.69 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.54 7.81 131 K 8.45 3.93 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 132 R 8.00 4.09 0.00 1.80 1.99 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 133 A 7.79 4.55 1.24 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 0.00 0.00 134 D 7.95 4.39 0.00 2.92 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 0.00 135 K 7.38 4.76 0.00 1.81 1.84 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.42 7.81 136 V 8.51 4.67 1.62 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 0.71 0.00 0.00 0.01 0.00 0.00 137 V 8.76 4.82 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 1.03 0.00 0.00 0.93 0.00 0.00 138 L 9.05 5.31 0.00 1.78 1.69 1.07 0.85 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 0.00 139 T 9.30 5.32 4.39 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 1.25 0.00 0.00 140 V 9.07 5.17 2.34 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 1.26 0.00 0.00 1.26 0.00 0.00 141 K 9.43 5.16 0.00 1.84 1.62 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.45 7.81 142 W 7.91 6.22 0.00 3.36 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 0.00 143 D 8.73 4.63 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 * Residues marked with a * may have inaccurate shift predictions.