NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2837 8.4449 121.4697 55.7048 30.8209 175.5070 2 E 4.0489 8.4782 124.3085 55.5187 30.2498 175.4031 3 Q 4.3415 8.2168 120.5649 55.2124 30.6394 174.3692 4 P 4.4722 0.0000 0.0000 63.2919 33.0024 176.2055 5 R 4.6466 9.0227 121.4521 55.0743 32.3859 177.2066 6 L 3.8139 8.6041 121.0920 58.7890 41.6593 179.0018 7 F 4.1733 8.2747 112.4050 60.0558 37.9505 176.7125 8 E 3.5943 6.9439 118.4953 58.8112 29.2506 179.0116 9 L 3.8300 7.4682 119.0274 57.5315 41.4300 178.9282 10 L 4.2429 7.5069 115.8518 55.8316 41.5338 178.6562 11 G 3.7505 7.6526 105.7562 45.0837 0.0000 173.7563 12 Q 4.4845 7.6297 121.5997 53.7894 30.3296 174.6259 13 P 4.3255 0.0000 0.0000 66.2202 30.9767 178.8000 14 G 3.4388 7.8760 104.6096 47.8973 0.0000 175.1744 15 Y 4.5184 7.5213 120.8235 59.7953 37.8625 178.1850 16 K 4.0569 8.4620 120.6177 59.4006 32.2803 178.7633 17 A 4.0962 8.2003 121.2806 55.5531 18.5409 179.7788 18 T 3.9136 8.0636 108.2144 64.5766 68.4927 176.4717 19 W 4.2769 8.6214 130.7920 60.6176 31.2447 177.1484 20 H 4.4032 8.8524 118.0997 59.3784 29.3375 177.0393 21 A 3.9806 8.2252 122.5539 55.3399 17.9187 179.0750 22 M 3.6274 7.5154 115.8192 58.3371 32.5259 177.5720 23 F 4.6184 7.5155 115.5995 56.2518 39.2255 175.1083 24 K 3.7840 7.4816 121.1090 59.1922 32.0925 175.0517 25 G 4.2785 9.1937 118.8685 46.4746 0.0000 173.8075 26 E 4.1393 7.9692 119.7132 55.8194 30.0504 176.1342 27 S 4.7404 8.0336 114.7853 57.0184 65.5914 172.5176 28 D 4.4156 8.6882 119.3260 55.0638 38.0406 174.5381 29 V 3.7852 7.8667 118.4478 61.9280 32.1752 174.3452 30 P 4.3535 0.0000 0.0000 62.5458 33.0107 177.1965 31 K 3.8570 8.6780 122.3396 59.4674 32.1925 179.2938 32 W 4.2298 8.2707 116.3781 59.1907 27.9903 178.4690 33 V 2.9587 6.6404 118.7955 65.5341 30.8548 177.5084 34 S 3.2746 7.5044 112.0443 61.2754 62.0834 174.7199 35 D 4.5973 8.2772 116.2352 53.6505 40.9084 175.9380 36 A 3.8365 7.7852 121.2376 53.2922 16.4124 177.8251 37 S 4.4261 8.3202 116.2007 59.3522 64.2157 175.0603 38 G 4.5403 8.4148 106.7386 45.3793 0.0000 171.3050 39 P 4.4286 0.0000 0.0000 62.9757 32.2919 175.9505 40 S 5.1602 8.5759 117.7709 56.9087 65.4107 173.0639 41 S 4.9179 8.8757 121.3553 55.6111 65.4472 171.9203 42 P 4.3340 0.0000 0.0000 63.4157 31.5282 176.5268 43 S 4.7392 8.8118 120.3178 58.7409 64.0513 173.2202 44 T 4.8090 8.7626 110.4519 60.2453 72.2015 172.9111 45 S 5.3254 8.4161 117.6951 57.3058 65.3883 173.2742 46 L 4.5779 8.5521 122.9037 54.4447 45.9112 173.6248 47 S 5.4389 8.7147 118.8876 56.6813 66.1875 173.5123 48 L 4.5727 8.9174 124.9853 54.2816 44.3306 176.2894 49 E 3.8061 10.0096 126.7697 57.5950 26.9783 175.8346 50 G 3.9745 8.4987 104.5851 45.5474 0.0000 173.5530 51 Q 4.6400 8.0658 120.2048 53.0823 30.7516 173.1849 52 P 5.0187 0.0000 0.0000 63.1677 32.9027 174.8826 53 Y 5.2868 9.6926 119.4642 56.3184 42.9567 174.2552 54 V 4.8218 9.2361 121.6121 61.2876 34.5970 174.1433 55 L 5.3019 9.3659 128.5100 53.4112 43.3570 175.7740 56 A 5.2624 9.2193 126.2220 50.2540 22.4426 174.4667 57 N 5.7032 8.4349 115.2131 52.0406 40.8445 173.3963 58 S 5.4177 9.2822 113.3109 59.3070 67.0883 170.7722 59 C 5.2497 8.4604 113.3751 53.7797 46.3198 172.9734 60 K 3.6154 7.5491 122.2968 55.2120 32.6508 174.5790 61 P 4.1637 0.0000 0.0000 64.6246 31.5408 175.8275 62 H 4.1899 9.1461 118.1316 56.4323 25.4984 175.1690 63 D 4.5894 7.8064 119.7719 52.6584 41.5061 176.7096 64 C 4.0586 8.5447 120.4656 59.5826 44.2402 175.2506 65 G 3.6996 8.2016 106.6744 48.8023 0.0000 173.9815 66 N 4.5758 7.5906 112.9518 53.6612 39.0320 174.4237 67 N 5.2959 7.9242 116.3009 51.8036 41.7134 173.5072 68 R 5.3327 9.0963 122.5054 54.1195 34.7821 174.6105 69 L 5.3350 9.3889 122.6732 53.4954 45.6633 174.9958 70 L 5.3397 9.0589 125.8375 52.9192 45.0036 175.5412 71 V 4.8122 9.0275 122.9852 60.9631 35.0590 173.9809 72 A 5.1668 9.3326 129.9462 50.4677 20.9174 175.0834 73 F 5.0234 9.4484 122.0532 57.0367 40.8889 175.9690 74 R 3.5626 9.1673 125.4374 55.9593 30.4124 177.6270 75 G 3.7732 8.9740 116.5288 48.7893 0.0000 173.6652 76 D 4.5966 8.0096 117.3320 53.2825 39.5951 176.2794 77 K 3.9914 7.6023 116.6824 58.2553 30.1593 175.7998 78 S 4.2926 7.9265 114.3172 60.1476 63.1740 172.8616 79 A 4.4292 7.2218 119.1549 51.3712 22.0524 174.7483 80 A 4.8972 7.9657 119.4674 50.5459 22.6107 175.2940 81 Y 4.9386 8.7377 116.3851 56.3068 42.6446 174.8724 82 G 4.5461 9.3444 108.5826 44.4931 0.0000 171.2479 83 L 4.8814 9.0438 122.6481 53.0814 45.3088 174.7375 84 Q 5.0208 9.0587 128.7219 54.4823 31.3391 174.0773 85 V 4.7099 8.9823 126.8962 61.2470 34.0929 174.1567 86 S 5.4156 9.1016 124.3706 56.7580 65.5268 173.2053 87 L 5.2243 8.7378 124.2371 52.1232 44.6531 174.8852 88 P 4.5003 0.0000 0.0000 62.4355 32.5804 175.6377 89 D 4.6055 8.3288 118.5144 54.8700 40.7295 177.8492 90 E 4.4439 7.4776 119.6038 53.8516 29.4827 175.4406 91 P 4.6888 0.0000 0.0000 62.4906 30.2248 175.9880 92 A 4.4270 7.2989 118.4990 53.0702 21.0989 177.4809 93 E 3.8097 8.4806 121.0339 57.1149 29.3540 178.4827 94 V 3.1218 6.7784 118.4627 65.7505 31.2168 177.5801 95 M 4.1607 7.3778 117.1434 57.2902 32.1266 176.9657 96 Q 4.5695 7.2102 112.8286 55.7376 31.4195 175.4311 97 T 4.9194 7.8964 110.6842 58.4312 68.9676 172.8236 98 P 3.9552 0.0000 0.0000 66.4325 31.6836 179.3678 99 S 4.2938 7.1506 111.8334 61.2673 62.6784 176.2208 100 K 3.8238 7.9416 120.7095 58.1637 31.9987 176.5633 101 Y 4.5268 8.0645 113.6491 57.3911 39.5601 175.7008 102 A 4.4253 7.4759 122.1825 52.1806 19.4059 177.0810 103 T 4.5255 8.6845 117.7093 61.8317 71.5475 172.9454 104 Y 5.1421 8.6127 122.6886 56.1031 41.1802 174.9976 105 R 4.5077 8.5976 122.7897 54.2892 33.4181 173.8559 106 W 5.2770 8.6617 125.2568 55.2578 31.5857 174.8887 107 Y 4.7989 8.7319 120.7531 56.2706 40.8934 176.7896 108 G 3.9225 9.0859 110.7428 44.7124 0.0000 173.0785 109 E 3.7825 8.1763 116.8036 56.4145 26.8671 173.3536 110 P 3.8728 0.0000 0.0000 62.3985 32.4808 177.3786 111 S 4.2176 7.8128 115.8265 57.6854 65.1654 175.1066 112 R 3.5965 8.2761 121.5032 59.6506 29.5981 178.1082 113 Q 3.7923 7.7722 118.5695 59.2481 29.1066 178.3201 114 V 3.3362 7.3106 118.7621 65.7384 31.3427 178.1991 115 R 3.6763 7.9434 118.3245 59.0815 29.7003 178.7589 116 E 3.8783 8.1556 118.4857 59.2553 29.5432 179.0701 117 L 3.8575 7.8070 120.1780 58.2862 42.1415 179.1502 118 L 4.0354 8.1188 118.8525 58.0789 41.5014 179.3980 119 M 4.0084 8.4416 118.9390 58.2318 31.6463 178.7194 120 K 3.8830 8.0655 119.1414 59.3703 32.6428 178.3964 121 Q 4.0459 7.8235 119.4856 58.9222 29.0010 177.8194 122 L 3.7107 7.7677 121.3056 58.2125 41.9242 178.7291 123 E 3.9250 7.9389 116.7035 58.2933 29.4075 178.8271 124 S 4.3817 7.6314 113.7397 59.1949 63.4616 173.9854 125 D 4.4153 7.7511 123.9601 53.8022 41.2642 174.9426 126 P 4.2756 0.0000 0.0000 65.5703 31.4255 176.6792 127 N 4.7265 9.4095 113.8332 52.8334 38.6478 175.6910 128 W 4.3721 8.2516 130.6688 56.3116 29.3584 175.4364 129 K 4.1696 7.7728 127.4864 54.8237 30.5074 177.8374 *130 L 4.1415 7.8614 121.6857 54.2320 41.5304 177.2129 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 E 8.44 4.28 0.00 1.94 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 2.17 2.33 0.00 2 E 8.48 4.05 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 3 Q 8.22 4.34 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 4 P 0.00 4.47 0.00 1.91 2.04 0.00 3.63 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 1.95 1.91 0.00 5 R 9.02 4.65 0.00 1.65 1.99 0.00 3.28 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 6 L 8.60 3.81 0.00 1.82 1.73 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.27 4.17 0.00 3.13 3.08 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 8 E 6.94 3.59 0.00 1.69 1.63 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 1.47 1.47 0.00 9 L 7.47 3.83 0.00 1.40 0.84 0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.51 4.24 0.00 1.58 1.51 -0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.65 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 12 Q 7.63 4.48 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 13 P 0.00 4.33 0.00 2.23 2.32 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 14 G 7.88 3.44 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 0.00 15 Y 7.52 4.52 0.00 3.03 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 16 K 8.46 4.06 0.00 2.16 2.03 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.63 7.81 17 A 8.20 4.10 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.06 3.91 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 1.37 0.00 0.00 19 W 8.62 4.28 0.00 3.81 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.85 4.40 0.00 3.59 3.55 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.23 3.98 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 22 M 7.52 3.63 0.00 1.32 1.76 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.58 0.00 23 F 7.52 4.62 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.48 3.78 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.39 7.81 25 G 9.19 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 0.00 0.00 0.00 0.00 26 E 7.97 4.14 0.00 2.37 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 2.23 2.27 0.00 27 S 8.03 4.74 0.00 3.79 3.71 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 0.00 0.00 0.00 0.00 28 D 8.69 4.42 0.00 2.88 2.75 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 29 V 7.87 3.79 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 0.44 0.00 0.00 1.09 0.00 0.00 30 P 0.00 4.35 0.00 1.72 2.05 0.00 3.56 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 31 K 8.68 3.86 0.00 1.84 1.89 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.51 7.81 32 W 8.27 4.23 0.00 3.69 3.34 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 33 V 6.64 2.96 1.64 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 0.55 0.00 0.00 -0.55 0.00 0.00 34 S 7.50 3.27 0.00 3.44 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 35 D 8.28 4.60 0.00 2.75 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 36 A 7.79 3.84 1.12 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 0.00 0.00 37 S 8.32 4.43 0.00 4.07 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 38 G 8.41 4.54 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 0.00 39 P 0.00 4.43 0.00 2.08 1.98 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 40 S 8.58 5.16 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.88 4.92 0.00 3.93 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 42 P 0.00 4.33 0.00 1.96 2.29 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 43 S 8.81 4.74 0.00 3.75 3.93 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 44 T 8.76 4.81 4.27 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 1.23 0.00 0.00 45 S 8.42 5.33 0.00 3.79 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 46 L 8.55 4.58 0.00 1.75 1.51 0.91 0.95 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 47 S 8.71 5.44 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.92 4.57 0.00 1.54 1.50 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 E 10.01 3.81 0.00 2.16 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 2.22 2.28 0.00 50 G 8.50 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 0.00 0.00 0.00 51 Q 8.07 4.64 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.95 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 52 P 0.00 5.02 0.00 2.15 2.21 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 53 Y 9.69 5.29 0.00 3.05 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 54 V 9.24 4.82 2.13 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 0.91 0.00 0.00 1.02 0.00 0.00 55 L 9.37 5.30 0.00 1.64 1.63 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.22 5.26 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 57 N 8.43 5.70 0.00 2.72 2.79 0.00 0.00 5.86 7.64 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 58 S 9.28 5.42 0.00 4.09 4.12 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 59 C 8.46 5.25 0.00 3.15 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 60 K 7.55 3.62 0.00 0.79 1.14 0.00 1.12 0.00 0.00 1.32 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.02 0.61 7.81 61 P 0.00 4.16 0.00 1.98 1.84 0.00 3.73 0.00 0.00 3.72 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 62 H 9.15 4.19 0.00 3.27 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.81 4.59 0.00 2.52 2.31 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 64 C 8.54 4.06 0.00 2.91 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 65 G 8.20 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 66 N 7.59 4.58 0.00 2.88 3.06 0.00 0.00 6.83 6.80 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 67 N 7.92 5.30 0.00 2.17 2.36 0.00 0.00 6.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.10 5.33 0.00 1.82 1.87 0.00 3.12 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 69 L 9.39 5.34 0.00 1.81 1.70 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.06 5.34 0.00 1.59 1.53 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.03 4.81 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 0.44 0.00 0.00 1.11 0.00 0.00 72 A 9.33 5.17 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 73 F 9.45 5.02 0.00 3.06 3.08 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 74 R 9.17 3.56 0.00 1.91 1.87 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.17 0.00 75 G 8.97 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 0.00 0.00 0.00 76 D 8.01 4.60 0.00 2.74 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 77 K 7.60 3.99 0.00 1.72 1.80 0.00 1.39 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.66 1.21 7.81 78 S 7.93 4.29 0.00 3.98 3.89 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 79 A 7.22 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.97 4.90 1.02 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 0.00 0.00 81 Y 8.74 4.94 0.00 3.01 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 82 G 9.34 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.04 4.88 0.00 1.38 1.36 -0.31 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.06 5.02 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 85 V 8.98 4.71 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 0.92 0.00 0.00 0.89 0.00 0.00 86 S 9.10 5.42 0.00 3.74 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 87 L 8.74 5.22 0.00 1.61 1.50 1.05 1.32 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 88 P 0.00 4.50 0.00 2.50 2.07 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 89 D 8.33 4.61 0.00 2.63 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 90 E 7.48 4.44 0.00 1.86 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 2.23 2.26 0.00 91 P 0.00 4.69 0.00 2.12 2.05 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 92 A 7.30 4.43 1.12 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 0.00 0.00 93 E 8.48 3.81 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 94 V 6.78 3.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.06 0.00 0.00 95 M 7.38 4.16 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 96 Q 7.21 4.57 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.14 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 97 T 7.90 4.92 4.27 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 1.22 0.00 0.00 98 P 0.00 3.96 0.00 0.49 1.38 0.00 3.35 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 99 S 7.15 4.29 0.00 4.27 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 0.00 100 K 7.94 3.82 0.00 1.72 2.04 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.95 1.21 7.81 101 Y 8.06 4.53 0.00 2.79 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 0.00 102 A 7.48 4.43 1.13 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 0.00 0.00 103 T 8.68 4.53 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 1.20 0.00 0.00 104 Y 8.61 5.14 0.00 2.68 2.37 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 0.00 105 R 8.60 4.51 0.00 1.73 1.56 0.00 2.96 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.29 0.00 106 W 8.66 5.28 0.00 3.10 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 0.00 107 Y 8.73 4.80 0.00 2.67 2.40 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 0.00 108 G 9.09 3.92 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 0.00 0.00 0.00 109 E 8.18 3.78 0.00 2.16 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 2.23 2.29 0.00 110 P 0.00 3.87 0.00 1.86 1.99 0.00 3.80 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.15 0.00 111 S 7.81 4.22 0.00 3.93 3.89 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 0.00 112 R 8.28 3.60 0.00 1.75 1.85 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 113 Q 7.77 3.79 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 114 V 7.31 3.34 1.73 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 0.70 0.00 0.00 0.49 0.00 0.00 115 R 7.94 3.68 0.00 1.61 1.28 0.00 2.76 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 116 E 8.16 3.88 0.00 2.04 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 2.46 2.38 0.00 117 L 7.81 3.86 0.00 1.66 1.73 0.53 0.36 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 0.00 118 L 8.12 4.04 0.00 2.02 1.79 1.16 0.86 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 0.00 119 M 8.44 4.01 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.08 0.00 120 K 8.07 3.88 0.00 1.83 1.96 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 121 Q 7.82 4.05 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 122 L 7.77 3.71 0.00 1.55 1.51 0.35 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.94 3.92 0.00 2.05 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 0.00 2.31 2.20 0.00 124 S 7.63 4.38 0.00 4.06 3.99 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 0.00 125 D 7.75 4.42 0.00 2.81 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 0.00 126 P 0.00 4.28 0.00 2.12 2.16 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 127 N 9.41 4.73 0.00 2.83 2.87 0.00 0.00 6.93 5.12 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 0.00 128 W 8.25 4.37 0.00 3.43 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 0.00 129 K 7.77 4.17 0.00 1.92 1.69 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.41 7.81 *130 L 7.86 4.14 0.00 1.41 1.48 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.