NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8302 8.4249 119.4725 53.8157 39.5092 172.0908 3 T 4.7473 8.1547 119.3982 60.6290 72.7312 171.0849 4 L 4.7397 10.0132 130.5217 53.2232 45.0838 174.3157 5 E 5.1558 8.7252 125.2548 54.5761 31.9605 175.1971 6 L 4.6549 8.9105 125.5847 53.7886 46.0467 174.2769 7 S 5.0653 8.5586 120.3201 57.3790 64.7989 172.7682 8 A 4.6306 8.1382 121.7724 51.6827 22.7414 174.5112 9 R 4.6797 8.8164 119.7903 54.5483 33.2041 175.5143 10 V 3.9240 8.4077 125.7125 62.5760 31.5039 176.0604 11 L 4.3374 8.9104 132.0869 57.3042 43.0033 176.8610 12 E 4.7752 7.8914 116.6554 54.8577 34.3273 174.1367 13 C 4.8750 8.5955 123.0958 57.4957 34.1219 173.7586 14 G 4.0135 8.8403 114.4719 44.6296 0.0000 173.3496 15 A 4.8995 8.3517 129.4895 51.8114 19.4715 179.9790 *17 R 4.3373 8.3620 117.1175 59.1881 31.3721 172.2793 18 H 5.4296 8.5882 114.7057 55.0205 32.8607 174.0245 19 T 4.1898 8.8804 113.8999 60.5043 69.4315 173.5684 20 P 4.2912 0.0000 0.0000 65.0376 31.2876 177.2514 21 A 4.3591 8.0350 119.5877 51.6642 18.6948 177.8563 22 G 3.9537 8.4527 105.1130 46.1763 0.0000 173.7764 23 L 4.2700 7.4145 121.9188 53.5912 43.5108 174.4841 24 P 4.5014 0.0000 0.0000 62.7900 32.4487 175.0811 25 A 5.2066 8.6650 125.1832 50.1716 22.2272 175.1062 26 L 4.7679 9.0295 122.9919 53.2696 46.2842 174.7608 27 E 5.0608 8.7714 124.1168 54.6334 32.2958 174.9911 28 L 5.2600 8.8127 123.4565 52.6965 46.4285 174.9774 29 L 4.9150 8.8817 122.3708 53.4193 44.5811 175.0867 30 L 5.2821 9.0692 126.3858 52.9451 45.2150 175.5900 31 V 4.8541 8.4957 121.3907 61.4006 34.8016 173.6227 32 H 5.2252 9.4899 127.6002 54.3845 32.7569 172.0978 33 E 5.2762 8.4026 124.0827 54.6808 31.6791 175.3114 34 S 4.7618 8.8503 117.5489 56.8523 67.2465 172.6089 35 E 4.4904 8.4545 119.6678 56.2543 31.2465 177.8848 36 V 2.7979 7.7416 110.8050 61.9984 29.6738 174.1019 *43 R 4.1666 7.9817 126.1332 56.3443 32.1356 174.8998 44 R 4.6225 8.2960 115.9258 54.7669 28.7578 174.2221 45 V 3.6227 8.2528 125.0332 63.9104 32.8401 174.0771 46 E 4.7832 8.7500 130.1677 54.3477 31.2665 174.6900 47 L 4.5106 8.7232 131.1859 54.4067 43.2493 175.2669 48 T 5.1484 8.4882 116.6703 60.1629 71.2930 173.9832 49 I 4.6385 8.9640 124.6558 59.9525 42.0164 174.3386 50 S 4.8533 8.8074 122.9946 58.1414 64.2023 173.0343 51 A 5.1883 9.0562 126.0005 50.0923 22.5835 175.1257 52 V 4.7799 8.9943 113.0229 59.3758 35.1967 174.6147 53 A 4.9301 8.9566 127.0511 49.9565 21.6075 174.9376 54 L 4.9911 8.3777 122.9415 52.5421 45.5937 178.4650 55 G 3.8677 8.8409 112.5831 46.2921 0.0000 175.7726 56 D 4.3446 8.8449 121.4903 57.2598 40.8057 177.7180 57 L 3.9969 7.7920 119.2478 57.5731 41.5339 179.2485 58 A 3.9955 7.7107 120.0700 55.2285 18.0856 179.7266 59 L 3.9403 7.7823 116.0038 57.6438 41.8025 179.0182 60 L 4.0835 7.6677 119.5573 58.0156 42.4807 178.5169 61 L 4.2963 8.2726 118.7915 54.1541 41.9885 176.8522 62 A 4.1213 7.4966 122.0771 53.8638 18.6575 176.6698 63 D 4.4522 8.7623 119.7869 55.3977 38.5187 174.1854 64 T 4.0518 7.5686 115.4479 62.6056 69.3252 172.7742 65 P 4.3894 0.0000 0.0000 62.2047 32.0426 176.1456 66 L 4.3336 8.2320 122.5137 56.1699 42.1063 177.3248 67 G 4.0234 9.1915 110.7402 45.4825 0.0000 174.3874 68 T 3.9757 7.5343 116.8078 64.0466 69.2395 174.1900 69 E 4.8920 8.5487 125.1461 55.2766 31.3833 176.1161 *71 Q 4.2565 8.3764 119.0018 56.2000 30.3367 174.9364 72 V 5.0065 8.7071 116.8406 59.7714 36.3143 174.4991 73 Q 5.3198 8.0506 121.9983 54.5993 33.0467 174.8452 74 G 3.9253 7.7026 110.3697 46.8173 0.0000 171.0927 75 F 5.4048 7.2024 113.4498 55.1382 40.8517 174.7047 76 L 5.1815 8.9379 120.1282 53.8639 43.1369 175.9151 77 A 4.9396 8.7565 123.1736 49.6235 23.1141 173.9299 78 P 4.7556 0.0000 0.0000 62.8103 31.5392 176.4097 79 A 4.2813 8.9224 124.7469 55.3327 19.1107 177.2880 80 R 4.3129 7.6888 109.3735 55.1921 31.7874 173.3448 81 K 3.8689 8.7536 117.2275 58.3500 31.8950 176.4283 82 D 4.4399 8.9266 121.6763 54.9218 38.5545 173.9710 83 S 4.3225 8.1402 114.2193 58.1609 62.7671 174.6866 84 V 3.9197 8.2340 124.6088 62.7788 32.2306 176.1674 85 K 4.5478 7.9268 121.0265 55.6002 33.8808 176.0849 86 V 4.9645 8.2496 114.8481 59.6615 35.2480 175.1490 87 K 4.7504 9.0102 120.9711 54.6331 36.6057 175.3569 88 L 4.4926 8.8336 126.8726 54.4273 43.6371 175.3998 89 H 4.5779 8.8353 125.6025 54.1500 29.0197 174.7611 90 L 4.4311 8.4106 124.4675 55.1969 41.5176 177.4707 91 Q 4.7014 9.6274 120.8276 56.0447 32.0315 175.2535 92 Q 4.6967 7.7271 116.0566 54.8017 33.5449 173.3797 93 A 5.1248 8.3230 120.3121 51.4283 21.8747 175.8649 94 R 4.6301 8.7462 116.9711 54.9308 32.8845 175.2608 95 R 4.0853 8.6897 121.6563 56.0085 31.7149 176.3187 96 I 3.6957 8.0611 111.6258 61.2983 39.2365 173.9110 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 N 8.42 4.83 0.00 2.77 2.86 0.00 0.00 6.78 6.82 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 3 T 8.15 4.75 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 1.26 0.00 0.00 4 L 10.01 4.74 0.00 1.72 1.49 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.73 5.16 0.00 1.85 1.82 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 2.21 2.27 0.00 6 L 8.91 4.65 0.00 1.67 1.41 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.56 5.07 0.00 3.93 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 8 A 8.14 4.63 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 9 R 8.82 4.68 0.00 2.04 1.75 0.00 3.08 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 10 V 8.41 3.92 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 0.86 0.00 0.00 0.92 0.00 0.00 11 L 8.91 4.34 0.00 1.65 1.78 0.92 0.86 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 12 E 7.89 4.78 0.00 1.90 1.75 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 2.29 2.30 0.00 13 C 8.60 4.87 0.00 2.91 2.77 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 14 G 8.84 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 0.00 0.00 0.00 15 A 8.35 4.90 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 *17 R 8.36 4.34 0.00 1.95 2.18 0.00 2.95 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 18 H 8.59 5.43 0.00 2.96 3.22 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.88 4.19 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 20 P 0.00 4.29 0.00 2.07 2.17 0.00 3.68 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 2.10 0.00 21 A 8.03 4.36 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 22 G 8.45 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 L 7.41 4.27 0.00 1.83 1.53 0.92 0.97 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 24 P 0.00 4.50 0.00 2.21 1.86 0.00 3.54 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 2.07 2.01 0.00 25 A 8.66 5.21 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 26 L 9.03 4.77 0.00 1.69 1.42 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.77 5.06 0.00 1.87 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 2.25 2.22 0.00 28 L 8.81 5.26 0.00 1.57 1.63 0.89 0.10 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 29 L 8.88 4.92 0.00 1.67 1.56 0.91 0.73 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 30 L 9.07 5.28 0.00 1.56 1.51 0.90 0.48 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 31 V 8.50 4.85 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 0.96 0.00 0.00 0.93 0.00 0.00 32 H 9.49 5.23 0.00 3.30 3.11 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.40 5.28 0.00 1.77 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 2.17 2.18 0.00 34 S 8.85 4.76 0.00 3.87 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 35 E 8.45 4.49 0.00 1.96 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 2.22 2.24 0.00 36 V 7.74 2.80 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 *43 R 7.98 4.17 0.00 1.79 1.93 0.00 3.10 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 R 8.30 4.62 0.00 1.79 1.95 0.00 3.03 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 45 V 8.25 3.62 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 0.97 0.00 0.00 46 E 8.75 4.78 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 47 L 8.72 4.51 0.00 1.86 1.59 0.92 0.36 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 48 T 8.49 5.15 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 49 I 8.96 4.64 1.86 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 1.21 0.58 0.88 0.00 0.00 50 S 8.81 4.85 0.00 3.75 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 51 A 9.06 5.19 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 52 V 8.99 4.78 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 0.60 0.00 0.00 0.55 0.00 0.00 53 A 8.96 4.93 1.17 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 0.00 0.00 54 L 8.38 4.99 0.00 1.75 1.49 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.84 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 0.00 0.00 0.00 56 D 8.84 4.34 0.00 2.80 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 57 L 7.79 4.00 0.00 1.84 1.68 0.98 0.75 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 58 A 7.71 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 3.94 0.00 1.76 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.67 4.08 0.00 1.64 1.91 0.92 1.06 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 61 L 8.27 4.30 0.00 1.80 1.67 0.90 0.70 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 62 A 7.50 4.12 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 63 D 8.76 4.45 0.00 2.82 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 64 T 7.57 4.05 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 65 P 0.00 4.39 0.00 2.17 1.97 0.00 3.60 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 2.11 2.10 0.00 66 L 8.23 4.33 0.00 1.63 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.19 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 68 T 7.53 3.98 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 69 E 8.55 4.89 0.00 1.85 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 0.00 2.30 2.12 0.00 *71 Q 8.38 4.26 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 72 V 8.71 5.01 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 0.68 0.00 0.00 0.94 0.00 0.00 73 Q 8.05 5.32 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.22 0.00 74 G 7.70 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 0.00 0.00 0.00 75 F 7.20 5.40 0.00 3.29 3.24 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 76 L 8.94 5.18 0.00 1.63 1.67 0.94 0.63 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 77 A 8.76 4.94 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 78 P 0.00 4.76 0.00 2.31 2.09 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 79 A 8.92 4.28 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 80 R 7.69 4.31 0.00 1.95 2.04 0.00 3.00 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 81 K 8.75 3.87 0.00 1.77 1.85 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.50 7.81 82 D 8.93 4.44 0.00 2.83 2.76 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 83 S 8.14 4.32 0.00 3.82 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 84 V 8.23 3.92 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 0.79 0.00 0.00 0.93 0.00 0.00 85 K 7.93 4.55 0.00 1.75 1.75 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 86 V 8.25 4.96 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 0.74 0.00 0.00 0.93 0.00 0.00 87 K 9.01 4.75 0.00 1.61 1.49 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.34 7.81 88 L 8.83 4.49 0.00 1.67 1.46 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.84 4.58 0.00 1.40 2.38 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.41 4.43 0.00 1.46 1.56 0.87 0.80 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 91 Q 9.63 4.70 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 92 Q 7.73 4.70 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 93 A 8.32 5.12 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 94 R 8.75 4.63 0.00 1.78 1.85 0.00 3.06 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 95 R 8.69 4.09 0.00 1.79 1.90 0.00 3.29 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 96 I 8.06 3.70 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 1.27 0.63 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.