NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2958 8.2993 121.7945 56.3697 33.3242 173.8848 4 V 4.3406 8.0504 116.7621 58.9401 33.4375 173.5558 5 C 4.2258 9.4359 125.1997 59.2889 32.5449 175.1752 6 E 3.9711 8.7901 128.0337 59.2146 28.8892 177.6176 7 I 4.2098 7.1448 117.1012 62.8613 38.7286 177.0182 8 S 4.0821 7.8809 116.8845 59.3220 63.0816 174.6170 9 G 3.9677 7.9443 108.8223 46.3564 0.0000 173.9991 10 K 4.3542 7.5427 118.5541 55.7349 33.0908 176.3297 11 R 4.7976 8.1849 114.4843 54.1217 31.5060 172.5885 12 P 5.0878 0.0000 0.0000 63.0226 31.5599 175.1102 13 I 4.5454 8.0971 116.1602 58.7114 40.4246 175.1209 14 V 4.0539 8.3769 124.8189 63.3761 32.4485 174.3804 15 A 4.5902 9.1643 126.3645 51.4044 23.3010 175.0858 16 N 5.1072 8.5627 116.5966 52.2853 41.7480 174.6652 17 S 4.6669 8.8898 114.3052 56.6515 64.1773 171.5954 18 I 4.1407 8.1668 126.3658 60.4015 37.9856 175.8909 19 Q 4.3633 9.2070 128.3736 54.9746 28.7637 175.1465 20 R 4.7467 8.3112 122.6076 55.2654 31.7613 176.7458 21 R 4.4241 8.3391 120.9631 55.8616 34.4150 175.1854 22 G 3.9515 8.8365 112.9551 46.0298 0.0000 172.0820 23 K 4.3399 8.0256 118.3453 54.1628 33.7327 175.5322 24 A 4.1606 8.4953 128.0145 52.8833 19.0415 178.2061 25 K 4.1639 8.5632 121.4807 58.0070 32.7267 178.2490 26 R 4.3857 7.8855 112.9860 56.8432 30.4759 176.2083 27 E 4.7013 7.0370 119.0771 57.7238 31.4137 177.7247 28 G 3.9909 8.2643 109.8574 50.1759 0.0000 172.0468 29 G 3.7737 8.1261 104.5540 45.0757 0.0000 172.6680 30 V 3.8136 8.6437 115.8052 62.3917 29.9015 172.2115 31 G 4.0727 7.0488 103.4518 44.5938 0.0000 172.9490 32 K 4.6546 8.2350 118.6701 54.5972 33.9967 176.2450 33 K 4.6521 7.9823 121.1752 54.8564 35.2648 175.4128 34 T 4.1742 8.4918 121.6910 63.3725 68.5147 174.2883 35 T 3.9421 9.7607 127.6326 65.2515 67.8847 174.4999 36 G 4.3334 7.8225 106.5956 44.8302 0.0000 170.2957 37 I 5.2340 8.2853 120.7936 59.5233 40.5205 175.3023 38 S 4.6633 8.4588 120.6092 56.9213 67.8397 173.6122 39 K 4.8790 8.9863 123.4539 55.4399 32.3026 176.4047 40 R 4.8279 9.1083 122.6439 54.1710 32.7958 174.9240 41 R 4.8673 8.3079 115.7047 54.4809 32.2570 175.1326 42 Q 4.3855 8.7174 120.7866 54.4915 30.6206 174.7397 43 Y 4.7122 8.2584 122.1404 56.1891 39.2562 173.7742 44 P 4.4420 0.0000 0.0000 62.3633 31.9538 178.2530 45 N 4.8251 8.7661 127.5234 52.6793 37.6141 174.5249 46 L 4.6071 8.0344 117.1651 56.4038 41.8249 176.5182 47 Q 4.7078 9.1672 118.5482 54.6589 33.4120 173.3829 48 K 4.9871 8.7045 118.1478 55.2142 34.7065 176.2925 49 V 4.3932 8.9459 124.3301 61.1447 34.3600 173.9747 50 R 4.7984 8.7088 129.0228 55.1446 30.9610 175.6074 51 V 4.5835 8.0841 125.3449 59.7325 33.8228 176.2500 52 R 3.6782 9.1205 118.8361 59.4820 29.4477 178.4369 53 V 2.9474 8.5746 113.8929 63.8399 30.2571 173.8465 54 A 3.6241 8.0529 135.0000 53.6539 17.6823 179.4100 55 G 3.8774 8.7055 106.1140 48.6876 0.0000 173.3594 56 Q 4.3195 7.2730 118.2798 55.3588 30.2596 174.9000 57 E 4.1432 8.7109 117.7221 58.1308 30.7837 176.0667 58 I 2.8745 7.4669 114.5153 61.9618 37.1153 172.2073 59 T 5.0878 8.0137 116.0503 59.8623 71.8965 172.9788 60 F 5.0627 9.4105 121.8827 55.9715 42.2083 174.6617 61 R 4.9860 10.4256 125.8281 55.1008 30.8844 175.2243 62 V 4.9713 8.3509 125.1254 59.3096 35.6962 175.1288 63 A 4.3714 8.4685 123.2557 51.6937 19.2328 178.5720 64 A 4.0366 8.2570 124.0432 55.4536 18.5182 179.9506 65 S 4.5354 8.0729 106.6185 59.7839 63.3471 174.0111 66 H 4.8405 8.3808 116.8774 54.8415 30.3749 174.9697 67 I 3.7706 7.7296 122.5942 64.2391 36.8215 176.2688 68 P 4.4004 0.0000 0.0000 65.7634 31.3495 178.1804 69 K 3.9535 7.9872 119.5202 59.1238 31.9265 178.5723 70 V 3.2727 7.4740 118.5290 65.8220 31.3321 177.3263 71 Y 4.0609 8.4447 116.3934 60.0136 37.7734 177.5964 72 E 3.9797 8.0836 120.5134 59.1088 29.7243 178.2042 73 L 3.9588 7.6148 119.2404 57.9824 42.1154 178.8351 74 V 3.7338 7.3544 117.6447 65.7290 31.7223 177.7509 75 E 4.1495 7.9762 118.7551 59.0919 29.7510 179.7876 76 R 4.1975 7.8582 114.3267 55.8250 29.4084 176.9200 77 A 4.5727 7.7293 119.0063 54.2533 22.9880 178.6771 78 K 3.9524 8.0560 113.9969 58.4013 32.5008 177.3196 79 G 4.1892 7.8973 108.8614 44.4139 0.0000 173.2417 80 L 4.6253 7.4000 116.5190 53.2590 46.0149 177.1626 81 K 4.2665 8.3114 120.6808 55.1151 30.5386 175.4388 82 L 4.6588 7.9290 121.6205 52.6541 42.2445 175.9929 83 E 4.3543 7.7419 126.2944 55.2068 32.0988 172.3504 84 G 3.7031 8.8505 116.9290 46.0130 0.0000 171.5530 85 L 3.9570 8.3475 126.5549 54.9509 41.6371 178.3515 86 S 4.6854 8.0519 123.3704 54.8014 63.4691 174.1889 87 P 4.2865 0.0000 0.0000 66.7966 31.3856 177.5934 88 K 3.7795 8.0226 119.0354 59.1993 32.0506 178.2300 89 E 3.9867 8.2132 117.9312 60.0578 29.3280 179.5715 90 I 3.5911 8.3846 119.6918 64.2151 37.2912 177.6869 91 K 3.9917 7.9285 120.0577 59.3809 31.8825 178.4287 92 K 3.8149 7.3716 118.0812 60.0295 32.0440 177.7018 93 E 4.2859 7.9966 117.4451 58.6043 29.7275 176.6811 94 L 3.7023 7.5481 126.2882 55.1988 41.4280 175.8548 95 L 3.2166 8.4520 128.5090 55.6382 40.0934 175.1271 *96 K 4.1330 8.3798 124.8229 54.6500 32.3453 173.4769 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 3 K 8.30 4.30 0.00 1.71 1.85 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 4 V 8.05 4.34 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 0.76 0.00 0.00 0.97 0.00 0.00 5 C 9.44 4.23 0.00 2.99 2.94 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 6 E 8.79 3.97 0.00 2.26 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 0.00 2.41 2.55 0.00 7 I 7.14 4.21 1.85 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 1.33 0.33 0.91 0.00 0.00 8 S 7.88 4.08 0.00 3.73 3.39 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 9 G 7.94 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 10 K 7.54 4.35 0.00 1.77 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.31 7.81 11 R 8.18 4.80 0.00 1.88 1.87 0.00 3.09 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 1.47 1.57 0.00 12 P 0.00 5.09 0.00 2.01 2.27 0.00 3.36 0.00 0.00 4.58 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 13 I 8.10 4.55 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.11 0.93 0.00 0.00 14 V 8.38 4.05 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 0.79 0.00 0.00 0.89 0.00 0.00 15 A 9.16 4.59 1.15 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 0.00 0.00 16 N 8.56 5.11 0.00 2.64 2.74 0.00 0.00 6.18 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 17 S 8.89 4.67 0.00 3.83 3.86 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 18 I 8.17 4.14 1.87 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 1.34 0.54 0.91 0.00 0.00 19 Q 9.21 4.36 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 20 R 8.31 4.75 0.00 1.69 1.84 0.00 3.15 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 21 R 8.34 4.42 0.00 1.70 1.75 0.00 3.27 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 22 G 8.84 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 0.00 0.00 0.00 23 K 8.03 4.34 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 24 A 8.50 4.16 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 25 K 8.56 4.16 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 26 R 7.89 4.39 0.00 1.96 2.02 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 27 E 7.04 4.70 0.00 2.15 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 2.22 2.21 0.00 28 G 8.26 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 29 G 8.13 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 30 V 8.64 3.81 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 0.67 0.00 0.00 0.93 0.00 0.00 31 G 7.05 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 0.00 0.00 0.00 32 K 8.23 4.65 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 33 K 7.98 4.65 0.00 1.64 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.52 7.81 34 T 8.49 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 1.21 0.00 0.00 35 T 9.76 3.94 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 1.21 0.00 0.00 36 G 7.82 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 37 I 8.29 5.23 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 1.34 0.72 0.90 0.00 0.00 38 S 8.46 4.66 0.00 3.68 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 39 K 8.99 4.88 0.00 1.63 1.75 0.00 1.74 0.00 0.00 2.41 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.33 7.81 40 R 9.11 4.83 0.00 1.83 1.99 0.00 2.91 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 41 R 8.31 4.87 0.00 1.43 1.75 0.00 3.07 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.00 42 Q 8.72 4.39 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 43 Y 8.26 4.71 0.00 2.97 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 44 P 0.00 4.44 0.00 2.09 2.03 0.00 3.83 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 2.07 2.10 0.00 45 N 8.77 4.83 0.00 2.84 2.81 0.00 0.00 6.94 6.66 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 46 L 8.03 4.61 0.00 1.86 1.66 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.17 4.71 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 48 K 8.70 4.99 0.00 1.63 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 49 V 8.95 4.39 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 0.92 0.00 0.00 1.01 0.00 0.00 50 R 8.71 4.80 0.00 1.88 1.84 0.00 3.24 0.00 0.00 3.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 51 V 8.08 4.58 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 1.03 0.00 0.00 0.91 0.00 0.00 52 R 9.12 3.68 0.00 1.96 2.13 0.00 3.08 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 53 V 8.57 2.95 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 0.96 0.00 0.00 1.00 0.00 0.00 54 A 8.05 3.62 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 55 G 8.71 3.88 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 0.00 0.00 0.00 56 Q 7.27 4.32 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.71 4.14 0.00 1.90 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 0.00 2.20 2.27 0.00 58 I 7.47 2.87 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 0.88 0.00 0.00 59 T 8.01 5.09 4.30 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 1.19 0.00 0.00 60 F 9.41 5.06 0.00 2.87 2.94 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 61 R 10.43 4.99 0.00 1.75 1.86 0.00 3.05 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 62 V 8.35 4.97 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 0.83 0.00 0.00 0.94 0.00 0.00 63 A 8.47 4.37 1.27 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 0.00 0.00 0.00 64 A 8.26 4.04 1.45 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 0.00 0.00 65 S 8.07 4.54 0.00 4.02 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 0.00 66 H 8.38 4.84 0.00 3.33 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.73 3.77 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.96 1.07 0.00 0.00 68 P 0.00 4.40 0.00 2.27 2.31 0.00 3.67 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 2.06 2.01 0.00 69 K 7.99 3.95 0.00 1.93 1.88 0.00 1.49 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.48 7.81 70 V 7.47 3.27 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 0.41 0.00 0.00 0.55 0.00 0.00 71 Y 8.44 4.06 0.00 3.15 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 72 E 8.08 3.98 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 2.37 2.36 0.00 73 L 7.61 3.96 0.00 1.83 1.61 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.35 3.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.90 0.00 0.00 75 E 7.98 4.15 0.00 2.22 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 2.35 2.38 0.00 76 R 7.86 4.20 0.00 1.94 2.01 0.00 3.02 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 77 A 7.73 4.57 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 78 K 8.06 3.95 0.00 1.96 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.60 7.81 79 G 7.90 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 0.00 0.00 0.00 0.00 80 L 7.40 4.63 0.00 1.70 1.54 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.31 4.27 0.00 1.74 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.45 7.81 82 L 7.93 4.66 0.00 1.61 1.61 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.74 4.35 0.00 1.87 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 2.20 2.34 0.00 84 G 8.85 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 85 L 8.35 3.96 0.00 1.63 1.72 0.91 0.87 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 86 S 8.05 4.69 0.00 3.94 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 87 P 0.00 4.29 0.00 2.23 2.33 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 88 K 8.02 3.78 0.00 1.77 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.46 7.81 89 E 8.21 3.99 0.00 2.18 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 2.39 2.39 0.00 90 I 8.38 3.59 2.06 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 1.66 0.70 0.91 0.00 0.00 91 K 7.93 3.99 0.00 1.67 1.81 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 0.90 7.81 92 K 7.37 3.81 0.00 1.88 2.02 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.58 7.81 93 E 8.00 4.29 0.00 2.26 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 2.36 2.53 0.00 94 L 7.55 3.70 0.00 1.84 1.76 1.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.45 3.22 0.00 1.71 1.67 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.38 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.