NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3921 0.0000 0.0000 64.9940 32.5592 175.7028 3 T 3.5229 6.7630 110.8573 57.1097 73.0004 172.2937 4 I 3.6184 8.7539 123.4127 64.6596 38.2081 178.7635 5 N 4.2803 8.0984 116.8624 56.9277 38.8541 176.4711 6 Q 3.9879 8.4776 119.7982 59.2164 28.9395 179.2010 7 L 3.9825 8.0682 119.8566 57.5470 41.3934 179.6369 8 V 3.6725 7.5591 117.5612 66.0312 31.5375 178.0368 9 R 4.1341 7.9999 116.6859 59.6454 30.1931 178.0089 10 K 4.1930 8.5859 118.1310 53.1424 32.2136 177.6966 11 G 3.9393 7.3301 107.0787 45.0590 0.0000 173.0221 12 R 4.3022 7.9900 117.6848 54.6421 31.4806 176.8197 13 E 4.1344 8.3873 121.1787 54.6566 28.7006 175.9462 14 K 3.9711 8.4346 128.0764 56.2239 32.4730 177.1785 15 V 3.8678 8.2626 119.9088 61.5531 32.2014 175.7558 16 R 4.7622 8.2520 120.4822 54.0917 33.6445 175.0195 17 K 4.5469 8.3925 118.9422 54.8682 34.9359 175.7040 18 K 4.1471 8.5186 122.4669 54.8971 32.7965 175.9106 19 S 4.0161 8.6962 119.0717 58.5274 61.9033 174.6673 20 K 4.0020 8.4809 126.1054 57.7627 31.6871 178.0650 21 V 3.9801 7.5332 119.9681 61.5590 32.5502 172.6823 22 P 4.5177 0.0000 0.0000 61.5373 30.1083 177.4884 23 A 3.5575 7.6318 121.1495 53.4673 19.4449 178.6539 24 L 3.6116 7.4294 115.9661 54.2162 41.1635 174.6911 25 K 3.6452 9.0933 116.6921 56.3105 30.7805 174.7279 26 G 3.9853 7.9659 102.8010 46.7625 0.0000 173.5604 27 A 4.4277 7.6004 120.8076 50.3796 19.7206 177.0238 28 P 4.1450 0.0000 0.0000 64.3954 31.8307 176.5649 29 F 5.2996 7.5063 114.2768 56.1118 43.5605 174.0911 30 R 4.6037 8.8145 120.0456 54.7412 33.3756 173.9178 31 R 4.3335 9.0071 127.2793 56.8646 31.2716 175.2787 32 G 4.3538 9.4185 116.9946 44.8621 0.0000 171.4852 33 V 4.5550 8.1628 120.0966 61.6982 34.0850 174.2839 34 C 4.5007 8.8283 126.7737 61.1180 28.1139 174.2473 35 T 4.5844 9.0094 111.7821 62.5540 70.8286 174.4379 36 V 4.6022 7.5118 119.4930 61.2661 35.5035 173.9090 37 V 4.9365 8.1054 124.9642 61.8578 34.6063 174.2601 38 R 4.6892 8.6155 122.9942 56.1419 33.1473 172.5050 39 T 5.6577 8.5975 108.6983 59.7322 70.6750 173.7250 40 V 4.6018 8.4110 125.3057 61.0370 34.0412 174.9177 41 T 4.3728 8.4321 117.3801 60.6261 69.8882 173.0175 42 P 4.7075 0.0000 0.0000 61.9925 33.0213 175.9445 43 K 4.2742 7.9041 117.6053 56.1223 32.8066 176.2505 44 K 3.9757 8.7864 120.5545 60.1941 32.2102 177.4323 45 P 4.3596 0.0000 0.0000 65.2790 31.7889 176.0222 46 N 4.7208 7.6206 115.1889 53.4479 40.7172 173.5655 47 S 4.6456 8.1778 108.3857 58.8196 65.4816 174.6992 48 A 4.3602 8.0196 133.6771 50.7762 21.6757 177.6869 49 L 4.6008 8.3702 108.6816 55.0195 42.4901 174.6814 50 R 4.1924 7.9574 118.5271 57.1582 32.1563 177.3325 51 K 4.9610 8.9057 121.2361 55.4775 33.9891 176.1171 52 V 5.1209 8.9680 117.3384 59.7514 36.8060 174.4635 53 A 5.1157 9.0491 123.3710 50.3897 22.7157 175.4890 54 K 4.4750 9.1844 125.4447 56.2644 33.7154 175.9629 55 V 4.8355 9.3421 127.4890 61.0783 35.6805 174.0932 56 R 4.5273 8.5735 127.3516 54.9813 31.0940 175.8239 57 L 4.8773 8.3351 127.2887 54.0509 42.8687 177.4546 58 T 4.1693 8.0246 109.4835 62.9592 69.1496 175.3972 59 S 4.5824 8.0430 116.6648 58.3193 63.4296 173.9126 60 G 4.3176 8.4768 113.8008 46.3675 0.0000 173.9645 61 Y 4.2268 8.0456 116.6051 58.1702 39.5030 175.4826 62 E 4.9738 8.5353 120.5813 55.2615 31.7260 174.0047 63 V 4.6886 8.3158 119.8596 59.6542 36.0116 174.4878 64 T 5.0979 8.4368 110.8625 60.4949 70.9562 173.7038 65 A 5.0696 8.9506 123.7781 50.7206 23.4621 174.1566 66 Y 5.0162 9.1156 121.1260 56.2694 41.0334 174.8139 67 I 4.3861 7.0709 120.4351 58.1477 38.1616 173.5945 68 P 4.1083 0.0000 0.0000 63.3784 32.3236 175.4180 69 G 3.8866 8.3313 104.1137 44.3421 0.0000 171.9543 70 E 4.4446 8.8743 119.6769 55.3467 31.0738 176.7327 71 G 3.7868 8.7726 112.4683 46.7705 0.0000 170.4885 72 H 4.6990 7.9890 112.0552 55.2870 30.5790 172.9383 73 N 4.9446 8.6019 114.9363 52.4405 37.5348 174.1045 74 L 4.5568 7.9088 118.6038 54.5410 43.2609 175.9452 75 Q 4.6988 9.2685 122.3879 53.5399 32.5040 175.3880 76 E 3.9904 8.8802 118.5956 59.6123 29.3244 176.9520 77 H 4.8782 7.9928 111.3947 54.7670 31.0858 173.7965 78 S 4.0996 8.1689 115.9546 59.3216 63.8824 174.6807 79 V 4.2412 9.5205 125.5088 63.0956 32.8624 174.9373 80 V 4.6591 8.2558 122.0748 61.1185 35.1451 171.1071 81 L 5.1422 8.4667 123.7392 53.7922 44.3867 174.5886 82 I 4.6847 8.7635 126.8378 60.1801 39.2773 175.7070 83 R 4.3560 10.1551 131.2354 58.4461 30.9999 176.9443 84 G 3.7421 8.3614 107.7272 46.5589 0.0000 172.1917 85 G 4.3269 8.0925 123.9961 44.5457 0.0000 172.5275 86 R 4.1218 7.7462 124.2612 56.3822 30.4142 176.9759 87 V 4.3662 7.5657 111.3160 61.3110 32.3597 172.6150 88 K 4.1520 7.8022 126.2787 53.9808 31.5686 175.1856 89 D 5.1511 6.9977 130.8693 54.0487 42.5980 175.4598 90 L 4.5546 8.2099 118.5566 52.1664 43.2959 174.4023 91 P 4.0346 0.0000 0.0000 64.1128 31.6019 178.7643 92 G 3.8459 8.8806 109.7234 46.4791 0.0000 173.8009 93 V 3.8930 7.7695 119.8502 62.8095 30.3783 176.0782 94 R 4.6950 8.2014 127.8607 54.8542 29.9577 175.0287 95 Y 4.8833 7.7112 113.3772 58.4296 42.5032 174.3165 96 H 5.5311 9.1162 118.9825 54.2182 32.7344 172.9194 97 I 4.4947 8.4676 122.2190 59.3940 37.7498 177.9458 98 V 3.8327 8.4987 129.1813 63.3696 29.1447 175.0985 99 R 3.6821 7.2213 119.0471 57.8231 30.5013 175.5296 100 G 4.3596 9.4481 114.1728 44.3979 0.0000 172.6699 101 V 4.2349 7.0075 118.1559 61.2194 35.8358 177.4097 102 Y 3.8347 8.4296 121.9326 58.9598 36.7955 170.9735 103 D 4.7544 6.0500 120.4008 54.3969 42.8620 175.8993 104 A 4.4484 8.5889 124.6648 50.2624 19.2163 177.2668 105 A 4.4660 8.7246 125.8064 52.2065 19.2529 177.2838 106 G 3.9112 8.2288 107.0215 45.4904 0.0000 173.7500 107 V 3.8301 8.3366 120.7869 62.7881 31.9891 175.5286 108 K 4.0381 8.6877 130.1267 56.7967 32.8504 176.0863 109 D 4.4048 8.7139 126.9092 55.6664 37.6356 173.6855 110 R 4.4876 8.0237 118.2836 54.7774 31.7735 174.4240 111 K 4.4012 8.5388 123.6065 58.0163 34.9851 177.6446 112 K 3.4901 8.4271 111.1799 59.7471 30.9342 178.1134 113 S 4.5186 8.7885 118.8333 58.1982 64.2098 174.1896 114 R 4.6732 8.3121 122.9190 55.8918 31.7769 176.9565 115 S 4.1585 8.2458 112.5186 60.5748 62.7203 174.1090 116 K 4.3997 7.9395 118.8970 55.8407 33.7480 176.6816 117 Y 3.3895 8.4772 114.5140 57.6839 35.7515 171.6889 118 G 3.7442 7.9684 104.7049 46.8277 0.0000 174.0463 119 T 3.8880 8.4359 115.1939 61.8470 67.7181 174.2656 120 K 4.2416 8.2614 127.9999 55.1706 34.6366 175.4992 121 K 3.8795 8.4394 120.0965 56.2429 31.1473 175.1426 122 P 4.4201 0.0000 0.0000 62.2359 28.7509 174.5367 123 K 4.0226 8.1823 125.6523 57.6597 30.9198 175.6634 124 E 4.2189 8.3948 122.5844 55.5664 31.5677 176.5990 125 A 3.5055 7.7278 120.6782 53.0672 15.7938 176.1043 *126 A 4.1172 7.5521 128.2903 51.8331 18.9464 177.0480 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 P 0.00 4.39 0.00 2.06 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 T 6.76 3.52 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 4 I 8.75 3.62 1.87 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 1.52 1.19 0.91 0.00 0.00 5 N 8.10 4.28 0.00 2.83 2.79 0.00 0.00 7.15 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 6 Q 8.48 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 7 L 8.07 3.98 0.00 1.89 1.71 0.92 0.68 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 8 V 7.56 3.67 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 0.83 0.00 0.00 1.03 0.00 0.00 9 R 8.00 4.13 0.00 1.82 1.96 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 10 K 8.59 4.19 0.00 1.93 1.71 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 11 G 7.33 3.94 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 0.00 0.00 0.00 12 R 7.99 4.30 0.00 1.81 1.86 0.00 3.37 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 13 E 8.39 4.13 0.00 1.90 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 2.27 2.35 0.00 14 K 8.43 3.97 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 V 8.26 3.87 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 0.76 0.00 0.00 0.93 0.00 0.00 16 R 8.25 4.76 0.00 1.74 1.78 0.00 3.14 0.00 0.00 3.28 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 17 K 8.39 4.55 0.00 1.80 1.74 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.34 7.81 18 K 8.52 4.15 0.00 1.74 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 S 8.70 4.02 0.00 3.83 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 20 K 8.48 4.00 0.00 1.70 1.77 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 21 V 7.53 3.98 1.92 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 0.67 0.00 0.00 0.42 0.00 0.00 22 P 0.00 4.52 0.00 2.08 2.20 0.00 3.83 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 2.14 2.03 0.00 23 A 7.63 3.56 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 24 L 7.43 3.61 0.00 1.48 1.71 0.98 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.09 3.65 0.00 1.87 1.86 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.43 7.81 26 G 7.97 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 0.00 0.00 0.00 27 A 7.60 4.43 1.26 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 0.00 0.00 28 P 0.00 4.15 0.00 1.52 1.70 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 29 F 7.51 5.30 0.00 2.96 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 30 R 8.81 4.60 0.00 1.93 1.72 0.00 3.27 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 31 R 9.01 4.33 0.00 1.94 1.76 0.00 2.63 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.00 32 G 9.42 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 0.00 0.00 0.00 33 V 8.16 4.55 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 0.86 0.00 0.00 0.87 0.00 0.00 34 C 8.83 4.50 0.00 3.03 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 35 T 9.01 4.58 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 1.24 0.00 0.00 36 V 7.51 4.60 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 1.03 0.00 0.00 0.93 0.00 0.00 37 V 8.11 4.94 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 1.02 0.00 0.00 0.96 0.00 0.00 38 R 8.62 4.69 0.00 1.92 2.03 0.00 2.79 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 39 T 8.60 5.66 4.42 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 1.25 0.00 0.00 40 V 8.41 4.60 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 0.97 0.00 0.00 41 T 8.43 4.37 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 1.22 0.00 0.00 42 P 0.00 4.71 0.00 2.29 2.11 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 43 K 7.90 4.27 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 44 K 8.79 3.98 0.00 1.70 1.84 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 P 0.00 4.36 0.00 2.21 2.15 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 46 N 7.62 4.72 0.00 2.82 2.83 0.00 0.00 6.77 7.57 0.00 0.00 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 S 8.18 4.65 0.00 3.92 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 48 A 8.02 4.36 1.09 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 0.00 0.00 49 L 8.37 4.60 0.00 1.49 1.62 0.94 0.86 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 50 R 7.96 4.19 0.00 1.81 2.11 0.00 3.26 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 51 K 8.91 4.96 0.00 1.62 1.55 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 52 V 8.97 5.12 2.16 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 1.07 0.00 0.00 1.08 0.00 0.00 53 A 9.05 5.12 1.18 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 0.00 0.00 54 K 9.18 4.48 0.00 1.85 1.69 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 55 V 9.34 4.84 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 0.85 0.00 0.00 0.95 0.00 0.00 56 R 8.57 4.53 0.00 1.92 1.77 0.00 3.11 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 57 L 8.34 4.88 0.00 1.72 1.62 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.02 4.17 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 1.24 0.00 0.00 59 S 8.04 4.58 0.00 4.05 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 60 G 8.48 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 0.00 0.00 0.00 0.00 61 Y 8.05 4.23 0.00 2.83 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 62 E 8.54 4.97 0.00 1.92 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 2.19 2.37 0.00 63 V 8.32 4.69 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 0.83 0.00 0.00 0.44 0.00 0.00 64 T 8.44 5.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 65 A 8.95 5.07 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 66 Y 9.12 5.02 0.00 3.01 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 67 I 7.07 4.39 1.54 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.76 0.00 0.00 68 P 0.00 4.11 0.00 1.84 1.99 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 69 G 8.33 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 0.00 0.00 0.00 70 E 8.87 4.44 0.00 1.98 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 2.28 2.25 0.00 71 G 8.77 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 0.00 0.00 0.00 72 H 7.99 4.70 0.00 3.21 3.20 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.60 4.94 0.00 2.82 2.90 0.00 0.00 5.95 7.79 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 74 L 7.91 4.56 0.00 1.86 1.69 0.90 0.93 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 75 Q 9.27 4.70 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 76 E 8.88 3.99 0.00 1.96 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 2.29 2.54 0.00 77 H 7.99 4.88 0.00 2.97 3.28 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.17 4.10 0.00 3.82 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 79 V 9.52 4.24 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 0.69 0.00 0.00 0.86 0.00 0.00 80 V 8.26 4.66 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 0.60 0.00 0.00 0.98 0.00 0.00 81 L 8.47 5.14 0.00 1.94 1.55 1.21 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.76 4.68 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.28 1.03 0.00 0.00 83 R 10.16 4.36 0.00 1.89 2.19 0.00 3.42 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.13 0.00 84 G 8.36 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 85 G 8.09 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 86 R 7.75 4.12 0.00 1.83 1.88 0.00 2.98 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 87 V 7.57 4.37 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 0.59 0.00 0.00 0.73 0.00 0.00 88 K 7.80 4.15 0.00 1.71 1.73 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 89 D 7.00 5.15 0.00 2.76 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 90 L 8.21 4.55 0.00 1.46 1.52 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.03 0.00 2.17 2.02 0.00 3.71 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 2.12 2.11 0.00 92 G 8.88 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 93 V 7.77 3.89 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 1.04 0.00 0.00 0.99 0.00 0.00 94 R 8.20 4.69 0.00 1.65 1.82 0.00 3.04 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 95 Y 7.71 4.88 0.00 2.95 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 96 H 9.12 5.53 0.00 3.16 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.47 4.49 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 1.14 0.67 0.89 0.00 0.00 98 V 8.50 3.83 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 0.69 0.00 0.00 0.97 0.00 0.00 99 R 7.22 3.68 0.00 1.61 1.70 0.00 3.33 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 100 G 9.45 4.36 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 0.00 101 V 7.01 4.23 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 0.15 0.00 0.00 0.74 0.00 0.00 102 Y 8.43 3.83 0.00 3.14 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 0.00 103 D 6.05 4.75 0.00 2.98 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 0.00 104 A 8.59 4.45 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 0.00 105 A 8.72 4.47 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 0.00 106 G 8.23 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 0.00 107 V 8.34 3.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.31 0.00 0.00 108 K 8.69 4.04 0.00 1.82 1.72 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.48 7.81 109 D 8.71 4.40 0.00 2.89 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 0.00 110 R 8.02 4.49 0.00 1.73 1.80 0.00 3.10 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 111 K 8.54 4.40 0.00 1.70 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.47 7.81 112 K 8.43 3.49 0.00 1.60 1.53 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 113 S 8.79 4.52 0.00 3.62 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 0.00 114 R 8.31 4.67 0.00 1.75 2.25 0.00 3.33 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 115 S 8.25 4.16 0.00 3.85 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 0.00 116 K 7.94 4.40 0.00 2.50 1.83 0.00 2.04 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.57 7.81 117 Y 8.48 3.39 0.00 3.23 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 0.00 118 G 7.97 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 0.00 119 T 8.44 3.89 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 120 K 8.26 4.24 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 121 K 8.44 3.88 0.00 1.71 1.81 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.49 7.81 122 P 0.00 4.42 0.00 2.21 2.08 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 123 K 8.18 4.02 0.00 1.71 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 124 E 8.39 4.22 0.00 2.07 2.03 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 2.18 2.51 0.00 125 A 7.73 3.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 A 7.55 4.12 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 * Residues marked with a * may have inaccurate shift predictions.