NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.3412 8.3149 122.1439 54.3194 33.4667 175.3679 1 D 4.5802 8.3935 121.1008 52.7992 41.7976 174.9647 2 I 3.8107 8.3659 122.9147 61.5700 38.7658 175.4875 3 V 4.2491 8.5663 125.9946 61.8140 32.9237 174.3796 4 L 5.2490 8.5643 127.1220 53.1519 44.2493 175.2530 5 I 4.5982 8.9484 124.1844 59.7570 41.0240 174.7654 6 Q 5.0266 8.4572 124.1462 52.2733 29.2259 175.6970 7 S 4.1015 8.7406 119.5356 61.0392 63.3575 175.1226 8 T 4.4934 7.4365 116.2784 62.0725 69.2365 174.3599 9 S 5.1504 8.4898 120.5641 58.0363 64.9545 173.7242 10 S 5.0917 7.7649 115.2144 57.0842 65.2838 172.8027 11 L 4.8168 9.4250 129.0091 53.7118 45.6346 174.4822 12 S 5.3310 8.4706 119.3551 57.0660 66.4320 172.3197 13 A 4.4699 8.4050 121.2815 51.9225 23.2991 175.3235 14 S 4.9222 8.4855 114.1895 56.7727 65.5177 174.6935 15 L 4.2404 8.2932 121.4961 56.3528 41.9543 177.9077 16 G 4.0220 9.1639 110.8438 45.5845 0.0000 173.6198 17 D 4.4413 7.5951 119.3335 54.6046 42.2119 175.5543 18 R 4.6777 8.3268 121.5247 55.4921 31.3322 175.5052 19 V 4.3763 8.5937 126.4594 61.3239 34.3341 174.2629 20 T 4.9123 8.3518 123.3006 61.8813 71.8524 173.0604 21 I 4.5771 8.8156 127.8395 59.3869 39.7485 174.7537 22 S 5.3782 8.6779 121.0297 57.0863 65.5662 173.3689 23 C 5.4703 9.6913 122.8085 54.9084 45.3543 172.4741 24 R 5.3657 9.2031 125.1603 54.5650 33.2285 173.5373 25 A 5.4064 9.0496 127.7780 50.0434 21.5713 177.4968 26 S 4.3665 8.6913 115.4232 60.2685 63.4013 174.1238 27 Q 4.4973 7.6309 116.7713 54.5721 31.4385 173.3576 28 D 4.4199 8.7765 118.9911 55.3208 41.2229 176.3360 29 I 4.3994 8.6821 120.7408 60.7522 38.4687 176.2846 30 R 3.3992 9.1275 116.4654 58.8314 27.3876 175.7365 31 N 4.2923 7.9862 110.2701 53.2855 37.8149 174.7186 32 Y 4.8334 7.4146 118.6785 56.4758 36.9507 172.9149 33 L 4.8795 7.6949 122.9939 53.0618 46.1565 174.3441 34 N 5.5003 8.7743 122.1713 51.1877 43.1946 173.2027 35 W 5.4858 8.9781 119.6759 55.3600 33.1078 174.4094 36 Y 5.1517 9.4074 121.6119 56.3051 41.3204 174.2879 37 Q 4.6107 9.1399 122.7822 54.1936 32.2853 173.9369 38 Q 5.4538 8.4102 127.1230 53.1276 31.4776 175.2753 39 K 4.6563 8.4883 126.1120 55.4339 32.9230 176.4184 40 P 4.2294 0.0000 0.0000 65.6474 31.1827 177.3890 41 D 4.5485 8.0579 115.1355 53.4934 39.5859 177.1523 42 G 4.0888 8.3801 109.9215 45.4542 0.0000 174.2732 43 T 4.2574 8.2582 110.9483 61.7851 69.9401 173.7823 44 V 4.5869 8.1502 123.1656 61.2526 34.1994 174.7689 45 K 4.4983 8.2697 123.9258 54.6932 36.9866 174.9608 46 L 4.1717 8.5235 126.4132 55.0475 42.4346 175.4698 47 L 4.4099 9.0474 126.3734 56.0922 43.6335 176.4762 48 I 5.1407 7.6266 118.7356 59.4672 40.8463 174.0157 49 Y 5.1357 8.2467 123.5627 55.0466 41.6637 174.2347 50 Y 4.2877 9.5732 118.7628 59.3955 38.0448 171.2434 51 T 3.9206 9.0805 123.9144 64.3020 68.1663 174.7042 52 S 4.7029 7.6066 109.6463 57.7263 64.4010 173.0146 53 R 4.2698 7.8291 121.3883 54.9898 31.1178 175.7157 54 L 4.5161 8.2789 124.7759 54.2779 42.6000 176.7839 55 L 4.4794 8.8024 125.7386 53.7580 43.6983 174.2614 56 P 4.2887 0.0000 0.0000 64.8276 31.5039 176.4067 57 G 4.0226 9.0000 112.0153 45.2103 0.0000 173.9043 58 V 3.7214 7.4949 119.1315 62.1148 32.2509 173.8018 59 P 4.5546 0.0000 0.0000 62.0963 31.8056 177.8022 60 S 4.2604 8.8008 117.6213 60.5490 63.0536 175.3891 61 R 3.9742 7.9604 117.1734 57.5197 29.5473 175.5663 62 F 5.2579 8.0038 118.4582 56.4694 40.7877 175.1619 63 S 4.6775 8.6631 115.7544 57.3635 66.8795 172.9524 64 G 4.8778 8.3010 106.1231 43.8733 0.0000 171.7984 65 S 4.7875 9.3222 117.9354 56.6857 68.1670 172.3689 66 G 4.0951 8.9888 106.2074 45.1670 0.0000 172.7135 67 S 4.5484 7.3216 111.2031 58.8569 66.8433 180.1264 68 G 4.3894 8.6793 113.9713 46.8442 0.0000 175.7395 69 T 4.6935 8.8339 117.7401 61.1592 71.7374 173.2664 70 D 5.1696 7.6236 123.1562 52.9021 43.0473 175.0909 71 Y 5.4724 9.1258 120.8475 56.6365 43.0908 174.3255 72 S 5.3460 9.0846 113.2683 57.5394 66.9491 173.0023 73 L 4.6076 8.3757 123.4988 53.4151 44.8789 175.2661 74 T 4.9285 8.2885 120.7916 61.8056 73.0958 172.7831 75 I 4.3353 8.5656 126.9191 59.1765 38.7547 176.7417 76 S 4.0804 8.8573 124.0802 61.1640 63.5619 174.5125 77 N 4.8013 7.5864 115.7497 52.3753 38.7331 174.3328 78 L 3.8830 8.9979 127.7151 55.8280 43.2628 175.9391 79 E 4.8849 9.4809 125.0135 54.3758 33.0391 177.0121 80 Q 3.9491 8.8274 122.3743 59.4185 29.1058 178.3677 81 E 4.2131 8.1395 112.8081 58.2971 29.5889 176.7773 82 D 4.9145 7.9232 118.9429 54.7411 41.0917 176.4658 83 I 4.1913 7.5716 121.2173 60.0949 38.1417 177.0106 84 G 3.7837 6.9394 110.5319 45.5923 0.0000 170.7020 85 T 4.9614 7.8547 116.4746 61.8861 71.7375 173.1078 86 Y 5.1049 8.6566 123.4358 56.2789 40.6690 174.7046 87 F 5.4835 9.2886 122.5086 55.8704 42.6583 172.7056 88 C 5.0516 8.7485 117.8105 54.0297 45.5236 172.0603 89 Q 4.8106 7.6709 118.6186 54.9469 31.2495 172.7074 90 Q 4.6285 8.7926 125.1815 54.6310 30.8391 176.1449 91 G 3.0829 8.3790 109.9476 45.9254 0.0000 173.5249 92 N 4.7045 8.7785 120.3598 54.7355 40.0629 175.2361 93 T 4.7200 7.7757 112.0507 61.5348 72.6039 173.5509 94 L 3.3085 7.9836 125.4674 53.5084 42.3264 175.2992 95 P 3.9936 0.0000 0.0000 61.6061 32.3723 176.2010 96 W 4.4866 6.8423 120.3992 57.0707 29.7292 175.7149 97 T 5.0234 8.0413 109.0906 60.0457 71.4656 172.8906 98 F 5.3293 9.1268 121.4318 55.6397 42.2499 175.4751 99 G 4.0524 8.9501 109.2555 45.7042 0.0000 173.8630 100 G 3.9794 8.9093 107.1336 45.6834 0.0000 174.8347 101 G 3.5091 8.6312 106.3671 45.8863 0.0000 172.7864 102 T 4.7349 8.0398 116.8267 61.2529 72.2152 173.1487 103 K 4.5677 8.8886 129.7069 55.7832 33.4665 175.1263 104 L 5.2101 9.3252 130.6874 53.7752 44.2128 175.0641 105 E 5.1492 9.1242 125.0811 54.7318 34.2817 174.0393 106 I 4.9222 8.2279 123.0138 60.3318 38.7871 177.3101 107 R 3.7290 9.6291 130.5724 58.3138 29.7726 176.4411 108 R 2.8556 7.8737 111.7976 58.3806 31.9156 176.9614 *109 G 3.9172 7.7171 111.0727 45.9159 0.0000 172.7663 *1003 Q 4.3052 8.7466 120.3372 55.5515 31.2400 177.3404 1004 L 4.3388 9.1555 128.8528 54.7674 43.2159 175.9778 1005 Q 4.5746 8.7829 127.0237 54.8453 30.1639 174.8135 1006 Q 5.2367 9.0505 125.8177 53.4876 31.1936 175.6936 1007 S 4.4879 8.5270 115.8562 57.5853 64.5573 173.7795 1008 G 4.0144 8.4900 108.2142 45.0633 0.0000 171.5333 1009 P 4.8079 0.0000 0.0000 63.0563 32.2073 175.6360 1010 E 4.7829 9.1676 120.1265 54.5174 33.7423 174.2669 1011 L 5.2314 8.5959 124.9098 53.4784 44.3758 175.6985 1012 V 4.6500 8.8881 118.5621 59.5510 36.6507 175.0120 1013 K 4.6878 8.3354 120.8626 54.0589 33.9084 174.9539 1014 P 4.4598 0.0000 0.0000 64.4508 31.6911 177.4279 1015 G 3.8716 9.6041 110.2506 45.3806 0.0000 173.3665 1016 A 4.3355 7.6604 121.7533 51.6979 20.3803 176.5389 1017 S 5.2348 8.4440 113.9953 57.0188 66.8222 173.8689 1018 V 4.6713 8.5537 113.8694 59.5972 36.2452 174.5436 1019 K 4.8549 8.6593 124.6753 54.7826 34.2753 175.1003 1020 I 4.7524 8.9687 121.7970 59.2450 40.7767 174.4553 1021 S 5.1875 8.4520 116.4992 56.9871 67.3021 173.6242 1022 C 4.8631 8.6378 120.3423 55.6395 47.2629 172.2373 1023 K 4.6032 9.2627 129.7817 55.0690 33.3682 174.5575 1024 D 5.0661 8.6715 128.8885 52.6455 41.5929 176.3908 1025 S 4.2239 8.8368 120.8489 59.3680 63.7675 174.6266 1026 G 3.6458 7.8749 110.7622 45.5863 0.0000 173.1449 1027 Y 4.3620 7.9358 115.8743 57.3690 38.7811 175.8551 1028 A 4.4987 7.0600 123.0497 51.9471 19.7411 177.8749 1029 F 4.0996 8.2947 121.8349 62.5834 39.1443 177.3304 1030 S 3.9185 7.9282 111.4204 59.0498 63.1396 174.2620 1031 S 4.4960 7.5260 114.9866 56.9561 62.9915 173.2473 1032 S 4.8247 6.9562 114.3863 57.7729 67.5678 172.9403 1033 W 4.9252 9.6065 120.7262 55.6102 31.2799 175.4183 1034 M 4.6975 9.3543 125.2347 54.3137 33.2291 174.8601 1035 N 5.5023 9.2574 124.1817 51.8954 41.7198 174.1465 1036 W 5.3857 8.4180 118.8651 55.0608 33.7903 174.7719 1037 V 4.9132 9.0968 122.5606 61.1363 34.7347 173.8396 1038 K 4.4669 9.0022 129.0157 54.8191 34.7000 175.0055 1039 Q 4.4867 8.4830 127.2587 54.5500 32.0756 173.7849 1040 R 4.7158 8.4728 126.4058 54.1704 32.1196 174.1912 1041 P 4.3962 0.0000 0.0000 66.3398 31.0109 175.6534 1042 G 4.0693 9.1414 112.1781 45.3125 0.0000 172.8564 1043 Q 4.4978 7.7197 118.0538 54.2187 30.3513 175.4258 1044 G 4.0495 8.3206 107.8445 44.5885 0.0000 171.8975 1045 P 4.4319 0.0000 0.0000 62.3578 32.4699 175.7433 1046 E 4.8210 8.7800 120.3615 54.2523 33.1628 175.0686 1047 W 4.7135 9.4568 135.0000 57.8297 31.0097 175.6371 1048 I 3.2621 8.6567 129.2200 61.5812 38.4289 176.2487 1049 G 3.0502 5.5341 106.2640 46.2143 0.0000 171.0286 1050 R 5.4738 7.8054 115.6207 55.3948 33.6443 173.8129 1051 I 5.1548 9.0462 118.6737 59.8865 41.9022 173.1145 1052 Y 4.3723 8.6060 130.3647 55.1201 38.7682 174.2070 1052A P 3.9356 0.0000 0.0000 65.1512 31.6666 178.3148 1053 G 3.6759 6.9066 106.5652 48.1348 0.0000 173.7570 1054 D 4.7309 8.0730 115.6978 51.8288 40.3249 176.6659 1055 G 3.9098 8.3841 108.3765 45.2831 0.0000 173.5114 1056 D 4.7612 8.3444 120.2508 54.8941 42.3845 175.1034 1057 T 5.4330 8.4247 112.3147 60.5212 72.7780 172.9240 1058 N 4.9835 8.8718 119.0281 52.4326 42.5382 173.7877 1059 Y 4.6662 8.8534 121.1779 56.2183 41.2170 174.4977 1060 N 4.8840 8.7858 120.0441 52.6237 40.2488 175.8631 1061 G 3.9218 9.2542 113.2228 48.2964 0.0000 175.1470 1062 K 3.8007 8.4167 120.1223 58.6564 32.2855 177.5860 1063 F 4.6861 8.2459 115.4220 57.0698 39.3647 177.0990 1064 K 3.6099 8.0258 121.2298 59.8393 31.7054 178.2652 1065 G 3.7342 7.7215 105.2890 46.2385 0.0000 173.8053 1066 K 4.1430 7.6991 120.6807 57.3081 32.9895 175.8438 1067 A 5.2711 8.3353 118.9564 50.2757 22.0270 176.1133 1068 T 4.6506 8.4763 116.5336 61.9017 72.0548 172.9473 1069 L 5.1519 8.7992 127.4573 53.4761 43.3556 176.2154 1070 T 4.9379 8.9680 112.3657 60.4404 73.0578 171.9761 1071 A 5.2973 8.4545 122.4208 51.0311 23.2977 175.2484 1072 D 4.5383 9.4316 118.1590 53.1729 43.4228 176.2098 1073 K 4.3834 9.0735 127.4797 59.4882 32.3986 179.7586 1074 S 4.2608 8.0473 112.8007 60.0895 63.0165 174.7840 1075 S 4.5075 7.8553 112.7925 56.9349 64.0690 173.5560 1076 S 2.7900 7.4842 116.8687 59.9591 60.8883 171.8761 1077 T 4.7271 7.3532 114.7161 61.5397 72.2055 173.8851 1078 A 5.3170 9.0810 128.2253 50.6423 21.5554 175.2513 1079 Y 5.3050 9.4862 119.6549 56.4389 41.9134 174.6360 1080 M 4.6745 8.9037 121.5639 53.7684 35.7193 173.3927 1081 Q 4.9233 8.6542 127.2828 54.3670 31.9214 173.8519 1082 L 5.1054 9.0909 126.6560 52.9655 44.1532 175.5239 1082A S 5.1641 8.4986 118.9551 56.0603 65.0511 174.0861 1082B S 3.8479 8.2763 113.8213 58.2594 60.2672 172.4975 1082C L 4.3567 8.2848 122.5122 55.2160 42.6032 177.3778 1083 T 4.8861 8.7847 112.5244 59.1051 71.6734 175.0840 1084 S 4.1898 8.5628 115.7044 61.2383 62.8059 176.4341 1085 V 3.7785 7.5312 118.9375 64.6311 31.3671 176.1006 1086 D 4.7989 8.4394 118.2317 55.5854 41.3678 176.8563 1087 S 4.4922 7.8232 116.2045 59.2912 63.3695 173.8951 1088 A 4.2460 8.2979 125.1303 52.0914 24.2839 174.0805 1089 V 4.6984 7.6930 116.9503 61.5584 33.9790 174.6044 1090 Y 5.1838 9.2656 125.6010 56.3297 40.5029 174.7387 1091 F 5.2880 9.8006 123.1102 55.7817 42.5139 172.0298 1092 C 4.4508 8.4123 115.6226 53.3958 39.7998 172.4860 1093 A 4.6535 8.1547 123.0344 50.3557 22.4043 175.3299 1094 R 5.0242 8.8304 123.1468 55.4730 32.5128 175.2005 1095 S 4.8192 9.0381 117.0005 57.8183 66.4190 173.5033 1096 G 4.3650 8.6577 110.0726 47.1035 0.0000 174.3851 1097 L 3.9836 8.1014 122.0436 56.5103 42.5771 176.9886 1098 L 4.5287 7.3813 119.2917 52.5424 43.5241 177.4325 1099 R 4.0124 8.6485 123.9762 58.6402 30.1699 177.4625 1100 Y 2.9374 7.3615 113.5213 56.4406 38.6590 174.8861 1100A A 4.3386 6.7354 123.8062 50.4511 20.4803 175.9856 1100B M 4.9360 9.0248 123.8845 53.5823 31.4572 175.9834 1101 D 4.6355 8.4698 123.1389 53.8607 40.6173 176.1130 1102 Y 5.0049 7.7712 117.9785 56.2546 41.7819 174.2038 1103 W 5.1898 9.2341 123.0711 54.7327 32.8309 175.4987 1104 G 4.4689 9.2404 111.0291 45.3649 0.0000 174.5645 1105 Q 4.1846 8.7604 117.1256 56.8515 29.1635 177.0263 1106 G 3.3217 7.6856 106.1819 45.9098 0.0000 172.7776 1107 T 4.5686 8.5028 118.3595 61.4328 71.9075 172.9309 1108 S 4.9648 8.6509 121.1778 57.1166 64.2869 172.4682 1109 V 4.8585 9.1012 128.0485 61.4664 33.8208 174.2273 1110 T 4.9029 9.1546 124.6839 61.7522 71.5981 173.2404 1111 V 4.6192 8.2729 127.3342 61.2083 31.5744 175.6833 1112 S 4.3686 9.5282 127.1357 58.7059 64.3759 175.7290 1113 S 4.3236 8.4776 115.2488 58.5213 62.0380 174.2372 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 0 K 8.31 4.34 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 1 D 8.39 4.58 0.00 2.81 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 2 I 8.37 3.81 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.93 0.00 0.00 3 V 8.57 4.25 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 1.01 0.00 0.00 0.98 0.00 0.00 4 L 8.56 5.25 0.00 1.81 1.56 0.87 0.77 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 5 I 8.95 4.60 1.93 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 1.27 0.67 0.99 0.00 0.00 6 Q 8.46 5.03 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.68 2.29 0.00 7 S 8.74 4.10 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.49 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 1.25 0.00 0.00 9 S 8.49 5.15 0.00 3.92 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 10 S 7.76 5.09 0.00 3.87 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 11 L 9.42 4.82 0.00 1.71 1.42 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.47 5.33 0.00 3.87 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 13 A 8.40 4.47 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 14 S 8.49 4.92 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.24 0.00 1.61 1.59 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.16 4.02 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 0.00 17 D 7.60 4.44 0.00 2.87 2.55 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 18 R 8.33 4.68 0.00 1.74 1.75 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 19 V 8.59 4.38 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 0.73 0.00 0.00 0.83 0.00 0.00 20 T 8.35 4.91 4.16 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 1.18 0.00 0.00 21 I 8.82 4.58 1.53 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 1.05 0.00 0.00 22 S 8.68 5.38 0.00 3.97 4.02 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 23 C 9.69 5.47 0.00 3.03 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 24 R 9.20 5.37 0.00 1.93 1.75 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 25 A 9.05 5.41 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 26 S 8.69 4.37 0.00 3.95 4.04 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 27 Q 7.63 4.50 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 28 D 8.78 4.42 0.00 2.78 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 29 I 8.68 4.40 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.97 0.00 0.00 30 R 9.13 3.40 0.00 1.78 1.74 0.00 3.61 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 31 N 7.99 4.29 0.00 2.47 2.16 0.00 0.00 6.86 7.11 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 32 Y 7.41 4.83 0.00 2.72 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 0.00 0.00 0.00 0.00 33 L 7.69 4.88 0.00 0.73 0.85 0.24 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.77 5.50 0.00 2.48 2.47 0.00 0.00 6.43 7.23 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 35 W 8.98 5.49 0.00 3.16 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 36 Y 9.41 5.15 0.00 2.99 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.14 4.61 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 1.99 1.59 0.00 38 Q 8.41 5.45 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 39 K 8.49 4.66 0.00 2.05 1.73 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.39 7.81 40 P 0.00 4.23 0.00 2.05 2.14 0.00 3.68 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 2.04 2.10 0.00 41 D 8.06 4.55 0.00 2.79 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 42 G 8.38 4.09 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 0.00 43 T 8.26 4.26 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 1.28 0.00 0.00 44 V 8.15 4.59 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 0.00 0.00 -0.96 0.00 0.00 -0.10 0.00 0.00 45 K 8.27 4.50 0.00 1.57 1.52 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.29 7.81 46 L 8.52 4.17 0.00 1.92 1.57 0.59 0.91 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 47 L 9.05 4.41 0.00 1.48 1.36 0.45 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.63 5.14 2.08 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 1.36 0.79 1.01 0.00 0.00 49 Y 8.25 5.14 0.00 2.94 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 50 Y 9.57 4.29 0.00 3.34 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 51 T 9.08 3.92 4.03 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 1.40 0.00 0.00 52 S 7.61 4.70 0.00 3.87 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 53 R 7.83 4.27 0.00 0.67 1.27 0.00 3.26 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 1.59 1.67 0.00 54 L 8.28 4.52 0.00 1.52 1.60 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.69 1.31 7.81 1063 F 8.25 4.69 0.00 3.18 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 1064 K 8.03 3.61 0.00 1.98 1.71 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.19 7.81 1065 G 7.72 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 1066 K 7.70 4.14 0.00 1.95 1.96 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.56 7.81 1067 A 8.34 5.27 1.19 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 0.00 0.00 0.00 1068 T 8.48 4.65 4.20 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 1.22 0.00 0.00 1069 L 8.80 5.15 0.00 1.44 1.55 0.63 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 1070 T 8.97 4.94 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 1.23 0.00 0.00 1071 A 8.45 5.30 1.33 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 1072 D 9.43 4.54 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1073 K 9.07 4.38 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.45 7.81 1074 S 8.05 4.26 0.00 3.93 4.02 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 1075 S 7.86 4.51 0.00 3.90 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 1076 S 7.48 2.79 0.00 3.64 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 T 7.35 4.73 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 0.58 0.00 0.00 1078 A 9.08 5.32 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.27 0.00 0.00 1084 S 8.56 4.19 0.00 4.04 4.20 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 1085 V 7.53 3.78 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 0.81 0.00 0.00 0.95 0.00 0.00 1086 D 8.44 4.80 0.00 2.87 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 1087 S 7.82 4.49 0.00 3.76 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 1088 A 8.30 4.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 V 7.69 4.70 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 0.48 0.00 0.00 0.88 0.00 0.00 1090 Y 9.27 5.18 0.00 3.02 3.05 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 0.00 0.00 0.00 1091 F 9.80 5.29 0.00 2.97 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 1092 C 8.41 4.45 0.00 1.82 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 1093 A 8.15 4.65 -0.34 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 1094 R 8.83 5.02 0.00 1.89 1.89 0.00 3.01 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 1095 S 9.04 4.82 0.00 4.17 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 1096 G 8.66 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 1097 L 8.10 3.98 0.00 1.55 1.58 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 1098 L 7.38 4.53 0.00 1.18 0.81 0.55 0.83 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 1099 R 8.65 4.01 0.00 1.80 1.95 0.00 2.95 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 1100 Y 7.36 2.94 0.00 1.43 1.77 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 1100A A 6.74 4.34 0.74 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 1100B M 9.02 4.94 0.00 1.71 2.25 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 2.60 2.41 0.00 1101 D 8.47 4.64 0.00 2.25 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 1102 Y 7.77 5.00 0.00 2.96 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 1103 W 9.23 5.19 0.00 3.10 3.19 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 0.00 1104 G 9.24 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 0.00 0.00 0.00 0.00 1105 Q 8.76 4.18 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 1106 G 7.69 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 0.00 0.00 0.00 1107 T 8.50 4.57 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 1.34 0.00 0.00 1108 S 8.65 4.96 0.00 3.89 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 1109 V 9.10 4.86 2.27 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 0.92 0.00 0.00 0.96 0.00 0.00 1110 T 9.15 4.90 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 1111 V 8.27 4.62 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 0.78 0.00 0.00 0.99 0.00 0.00 1112 S 9.53 4.37 0.00 3.89 4.01 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 1113 S 8.48 4.32 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.