NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4271 8.3049 120.3447 55.3064 33.2056 174.4987 1A I 4.4342 8.2772 126.5790 58.9985 40.1674 173.2455 2 Q 4.9981 9.4720 124.2099 54.1880 32.9539 174.5711 3 R 4.7489 8.9731 122.4100 54.5344 33.3349 175.3318 4 T 4.6360 8.9500 120.9365 61.9148 69.4216 172.8118 5 P 4.8152 0.0000 0.0000 63.0376 32.4790 175.4726 6 K 4.6831 9.1700 122.3564 55.0537 34.1002 175.4716 7 I 5.1574 8.4218 124.8006 59.9144 40.3662 175.3463 8 Q 4.6670 8.7571 122.6578 54.9475 33.1749 173.6760 9 V 4.9949 8.4634 124.6512 61.6043 33.5641 174.1302 10 Y 5.2412 8.5269 124.1411 56.7124 41.5043 173.2952 11 S 4.9324 9.1290 115.2998 57.2262 64.8494 174.3148 12 R 4.1434 9.1900 122.1178 59.4248 30.0571 176.2921 13 H 5.2744 8.2714 113.0447 52.8859 32.1330 172.4130 14 P 4.3561 0.0000 0.0000 62.3131 31.7336 176.4038 15 A 4.1289 8.9959 125.1151 53.2277 18.4715 177.2277 16 E 4.5434 8.1988 123.2600 53.6563 30.2088 172.5353 17 N 4.1647 7.8957 118.7581 52.6053 39.2452 176.2439 18 G 3.9878 8.6239 114.6879 46.2049 0.0000 174.4134 19 K 4.2359 9.5845 121.1332 52.8637 32.3342 181.3439 20 S 4.1481 8.3198 119.0937 58.3854 63.5758 173.3559 21 N 4.6953 8.1623 120.8561 53.6803 44.1200 172.6304 22 F 5.2121 9.1832 115.9707 56.4427 43.8821 173.5930 23 L 4.0266 9.2932 127.1590 53.8286 43.7472 174.9935 24 N 5.3553 8.2792 121.5540 51.4929 42.9896 172.3601 25 C 5.3430 9.5381 123.3554 54.8802 46.0845 171.7653 26 Y 5.3701 9.3698 127.5886 56.1751 41.1609 174.2298 27 V 5.4127 8.7965 120.7306 59.2570 34.3406 175.3746 28 S 5.4203 8.2141 117.5085 57.8019 66.6909 174.0446 29 G 4.7313 8.7853 105.8772 47.3846 0.0000 173.2050 30 F 5.7547 7.5391 113.3016 54.7857 41.2426 173.9665 31 H 5.2939 8.7195 119.1308 54.7620 33.4777 171.2176 32 P 5.1169 0.0000 0.0000 61.6164 33.2747 177.0076 33 S 4.2762 8.5388 113.4606 59.7567 62.6558 173.9581 34 D 4.5955 7.8148 122.3265 54.0816 41.2120 175.5070 35 I 4.6723 8.0003 122.8735 59.7328 41.1063 173.2183 36 E 4.5947 8.7863 128.0133 54.5485 31.8775 175.1634 37 V 4.4739 7.9212 123.5619 61.1370 34.1754 173.9815 38 D 4.9385 9.4928 128.8293 52.3800 44.2475 175.0615 39 L 4.9614 8.3818 122.5416 53.7324 43.5484 175.3934 40 L 5.0560 10.1187 123.9082 52.9720 44.9076 175.6778 41 K 4.2170 8.8967 124.3505 54.1677 33.6573 175.3978 42 N 4.1806 9.4797 128.4609 54.0216 36.0221 176.1409 43 G 4.0786 8.1484 106.3537 45.8959 0.0000 173.6504 44 E 4.1634 7.5939 120.3805 55.4754 30.3753 175.1995 45 R 4.7890 8.2567 121.2890 55.1066 30.5952 176.1370 46 I 3.8146 8.4425 126.2897 61.6305 36.9022 176.3455 47 E 4.2838 8.8522 126.6888 54.8943 32.0577 176.0660 48 K 3.6571 8.4615 116.3500 57.6794 29.5978 176.0493 49 V 3.9900 6.9533 114.1614 62.7330 32.8915 174.2188 50 E 4.7767 8.4195 121.8181 54.9837 34.2092 174.0888 51 H 5.9253 8.2355 115.4056 54.5875 31.9794 172.4020 52 S 4.7038 8.3604 113.9708 56.9503 65.1973 173.2957 53 D 4.5005 8.5144 120.1016 53.4691 40.9921 176.2088 54 L 3.8685 8.5075 125.5459 56.0289 42.3808 176.1198 55 S 4.7129 8.4021 118.8634 56.6944 66.4615 172.2102 56 F 5.0381 7.8292 118.7600 55.4014 41.3598 172.9677 57 S 5.0908 9.1371 113.5944 56.5309 65.1374 174.3064 58 K 3.6801 8.6325 119.8607 59.3636 32.0350 177.8350 59 D 4.5141 7.8709 116.5241 52.4181 39.4496 176.5442 60 W 3.5869 7.5521 116.6645 57.8377 27.6142 174.5845 61 S 4.3363 8.0675 113.8986 58.2296 64.2067 173.5504 62 F 5.1012 8.3018 120.2890 56.6625 41.2606 174.4084 63 Y 5.3507 8.6004 117.9752 55.9541 41.7119 173.8957 64 L 5.0535 9.3032 120.1071 53.3693 47.2416 174.5168 65 L 5.3321 9.2101 124.0777 53.7494 44.7689 174.5693 66 Y 5.3269 9.2686 124.8068 56.7972 40.5399 174.4179 67 Y 5.2197 8.9831 120.3194 57.0467 41.9725 172.9849 68 T 4.8079 8.5226 113.3351 60.9010 71.5194 171.9138 69 E 4.2474 8.7823 127.6265 55.9594 30.5048 175.5111 70 F 4.8741 8.6784 120.1746 56.3945 42.2617 173.3126 71 T 4.2620 8.0989 115.1372 60.2236 70.1001 172.1532 72 P 4.3562 0.0000 0.0000 63.6095 32.3889 175.3690 73 T 5.2753 8.2866 114.7510 62.3105 72.5258 173.9014 74 E 4.0977 8.8275 126.5070 59.5860 30.1565 179.2048 *75 K 4.1351 8.1497 119.4440 57.2717 32.1753 180.9148 76 D 4.3719 8.1477 117.9141 55.0127 41.3342 175.9069 77 E 4.7187 8.6476 123.0208 55.2663 31.1878 174.5342 78 Y 5.3794 8.9033 121.5632 56.6158 41.7159 174.5713 79 A 5.0586 8.9234 122.9845 51.5847 23.8418 173.8526 80 C 5.3429 9.3882 118.3541 55.0439 45.4631 172.7454 81 R 5.1490 9.5966 126.4635 54.5011 32.8804 174.2002 82 V 4.8391 8.8874 125.6729 61.0505 35.1234 173.5670 83 N 5.3404 9.3727 125.7476 52.2809 41.8802 172.4015 84 H 4.7462 8.6659 120.5754 55.4515 32.7343 174.7764 85 V 3.7792 8.6738 125.0825 65.2392 30.7685 177.7701 86 T 3.9462 8.1418 109.5253 62.6432 68.7152 173.0350 87 L 4.7472 8.9033 123.8103 52.9697 42.4719 176.1090 88 S 4.2891 8.8803 119.7609 60.7959 62.6758 174.5725 89 Q 4.5966 7.5557 116.0980 52.3820 31.5920 172.2380 90 P 4.5065 0.0000 0.0000 63.4201 31.9023 175.1908 91 K 4.5938 8.6762 122.8147 54.9600 34.4318 174.9486 92 I 5.5444 8.2510 126.7541 58.6780 40.0925 175.0391 93 V 4.5041 8.2941 120.0791 59.2320 34.5131 175.4128 94 K 4.7239 8.7829 125.2143 55.9006 32.8809 176.7606 95 W 4.5693 10.4559 134.4936 57.5924 31.7541 175.7558 96 D 4.2151 8.1509 125.0247 51.6480 41.4089 175.9358 97 R 3.5158 6.6429 122.8393 58.5765 29.5204 177.1250 98 D 4.7742 7.6556 117.3804 54.3639 40.7332 176.2934 99 M 4.3392 8.3278 125.7965 55.9678 33.3158 174.5385 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 M 8.30 4.43 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 1A I 8.28 4.43 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.37 0.92 0.00 0.00 2 Q 9.47 5.00 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 3 R 8.97 4.75 0.00 1.98 2.02 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 4 T 8.95 4.64 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 5 P 0.00 4.82 0.00 1.93 1.66 0.00 3.69 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 6 K 9.17 4.68 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.49 7.81 7 I 8.42 5.16 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.98 0.00 0.00 8 Q 8.76 4.67 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 9 V 8.46 4.99 2.36 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 0.89 0.00 0.00 1.08 0.00 0.00 10 Y 8.53 5.24 0.00 3.09 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 11 S 9.13 4.93 0.00 4.23 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 12 R 9.19 4.14 0.00 1.84 2.23 0.00 3.10 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 13 H 8.27 5.27 0.00 3.27 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.36 0.00 2.11 2.07 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 15 A 9.00 4.13 1.70 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 16 E 8.20 4.54 0.00 2.01 1.78 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 2.25 2.35 0.00 17 N 7.90 4.16 0.00 2.82 2.71 0.00 0.00 6.97 7.68 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 18 G 8.62 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 19 K 9.58 4.24 0.00 1.79 1.62 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.24 7.81 20 S 8.32 4.15 0.00 3.72 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 21 N 8.16 4.70 0.00 2.59 2.57 0.00 0.00 7.26 7.68 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 22 F 9.18 5.21 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.29 4.03 0.00 0.27 0.82 -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.28 5.36 0.00 1.44 1.95 0.00 0.00 6.35 7.62 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 25 C 9.54 5.34 0.00 2.92 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 26 Y 9.37 5.37 0.00 3.26 3.12 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 27 V 8.80 5.41 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.20 0.00 0.00 28 S 8.21 5.42 0.00 3.95 3.72 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 29 G 8.79 4.73 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 30 F 7.54 5.75 0.00 3.02 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 31 H 8.72 5.29 0.00 3.31 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.12 0.00 2.20 2.29 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 33 S 8.54 4.28 0.00 3.46 2.63 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 0.00 0.00 0.00 34 D 7.81 4.60 0.00 2.70 2.61 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 35 I 8.00 4.67 1.58 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.88 0.00 0.00 36 E 8.79 4.59 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 37 V 7.92 4.47 0.67 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 0.48 0.00 0.00 0.63 0.00 0.00 38 D 9.49 4.94 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.96 0.00 1.58 1.56 0.87 0.57 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 40 L 10.12 5.06 0.00 1.70 1.54 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.90 4.22 0.00 1.68 1.58 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.07 0.68 7.81 42 N 9.48 4.18 0.00 2.78 2.83 0.00 0.00 6.99 7.68 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 43 G 8.15 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.59 4.16 0.00 2.03 1.79 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 2.28 2.23 0.00 45 R 8.26 4.79 0.00 1.83 1.91 0.00 3.22 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 46 I 8.44 3.81 1.88 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 1.29 0.66 0.93 0.00 0.00 47 E 8.85 4.28 0.00 1.92 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 2.36 2.33 0.00 48 K 8.46 3.66 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 49 V 6.95 3.99 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 0.87 0.00 0.00 0.97 0.00 0.00 50 E 8.42 4.78 0.00 1.16 1.20 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 2.03 2.03 0.00 51 H 8.24 5.93 0.00 2.26 2.05 0.00 5.32 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.36 4.70 0.00 3.96 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 53 D 8.51 4.50 0.00 2.70 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 54 L 8.51 3.87 0.00 1.58 1.62 0.74 0.59 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 55 S 8.40 4.71 0.00 3.84 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 56 F 7.83 5.04 0.00 2.74 2.33 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 57 S 9.14 5.09 0.00 4.00 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 0.00 58 K 8.63 3.68 0.00 1.62 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.17 1.27 7.81 59 D 7.87 4.51 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 60 W 7.55 3.59 0.00 3.30 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 61 S 8.07 4.34 0.00 3.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.30 5.10 0.00 1.79 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 63 Y 8.60 5.35 0.00 2.90 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 64 L 9.30 5.05 0.00 1.76 1.49 1.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.21 5.33 0.00 2.01 1.60 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.27 5.33 0.00 3.03 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 Y 8.98 5.22 0.00 3.12 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 68 T 8.52 4.81 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 1.10 0.00 0.00 69 E 8.78 4.25 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 70 F 8.68 4.87 0.00 3.00 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 71 T 8.10 4.26 4.14 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 0.00 0.00 1.10 0.00 0.00 72 P 0.00 4.36 0.00 2.20 2.29 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 73 T 8.29 5.28 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 E 8.83 4.10 0.00 1.95 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 2.30 2.31 0.00 *75 K 8.15 4.14 0.00 1.82 1.70 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.03 7.81 76 D 8.15 4.37 0.00 2.89 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 77 E 8.65 4.72 0.00 1.85 1.88 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 2.35 2.28 0.00 78 Y 8.90 5.38 0.00 3.24 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 79 A 8.92 5.06 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 80 C 9.39 5.34 0.00 2.97 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 81 R 9.60 5.15 0.00 1.75 1.66 0.00 3.03 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 82 V 8.89 4.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 83 N 9.37 5.34 0.00 2.52 2.53 0.00 0.00 6.53 7.77 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 84 H 8.67 4.75 0.00 3.04 2.99 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.67 3.78 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 86 T 8.14 3.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 87 L 8.90 4.75 0.00 1.76 1.84 0.91 0.84 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 88 S 8.88 4.29 0.00 3.97 4.05 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 89 Q 7.56 4.60 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 90 P 0.00 4.51 0.00 2.07 2.08 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 91 K 8.68 4.59 0.00 1.86 1.68 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 92 I 8.25 5.54 1.89 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 1.35 0.66 0.96 0.00 0.00 93 V 8.29 4.50 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 0.85 0.00 0.00 1.03 0.00 0.00 94 K 8.78 4.72 0.00 1.71 1.83 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 10.46 4.57 0.00 3.31 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.22 0.00 2.64 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 97 R 6.64 3.52 0.00 1.84 1.52 0.00 2.93 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.39 0.00 98 D 7.66 4.77 0.00 2.75 2.69 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 0.00 0.00 0.00 99 M 8.33 4.34 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.