NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3264 8.3344 116.8018 58.5242 64.1962 173.1320 3 S 4.4872 8.5291 117.2099 56.5755 61.8359 171.1036 4 H 4.9142 8.9232 128.1095 53.0808 32.9281 172.4377 5 P 4.2066 0.0000 0.0000 66.5114 30.6066 178.2586 6 I 3.5886 7.7319 117.4968 63.8440 37.6674 177.3694 7 F 4.7037 7.7936 117.3157 59.5999 38.7268 175.7427 8 H 4.9814 8.2216 116.3452 57.1599 31.4099 175.0925 9 R 4.5082 8.2185 116.8199 55.2593 30.5613 176.5515 10 G 3.6023 7.6453 109.0010 44.4017 0.0000 172.9156 11 E 3.9710 8.0553 118.7086 54.8007 30.0386 176.3371 12 F 5.0440 8.0390 122.1579 55.9725 41.6393 175.0231 13 S 4.8280 8.3724 117.6305 57.2443 64.4672 175.2782 14 V 3.9113 8.1751 121.9352 63.7045 31.9617 176.6224 15 C 5.2577 7.7868 116.4262 55.0121 41.0842 173.4351 16 D 4.9321 8.6981 123.2487 53.6721 42.2728 175.6743 17 S 5.2739 8.3712 116.9629 56.9014 67.0427 173.1634 18 V 4.3886 8.2318 117.7777 60.9896 34.5088 173.2689 19 S 4.9349 8.5454 121.0764 57.0199 64.7456 173.6424 20 V 4.4285 8.3505 116.1279 59.8525 36.9014 173.8457 21 W 5.2030 8.7422 121.5233 55.4162 30.6168 176.1168 22 V 4.2949 9.6891 127.1271 61.4638 32.1253 176.1904 23 G 4.1741 9.1499 115.6693 45.3091 0.0000 171.9767 24 D 4.9167 8.0592 117.3284 52.4800 39.7656 175.9105 25 K 4.2629 8.1703 121.2014 57.3242 32.9162 176.3687 26 T 4.9892 8.6137 113.9100 61.4090 71.2174 173.2015 27 T 5.2356 7.6756 110.0391 60.2495 72.4586 172.3707 28 A 4.4779 8.3301 122.6292 51.9694 23.6897 174.9295 29 T 5.0162 7.9843 109.2222 60.3477 71.6446 175.0796 30 D 5.2376 9.0863 124.2988 51.9227 41.5956 176.3916 31 I 3.4276 8.1749 117.6620 63.5119 38.0538 177.0353 32 K 4.2086 8.1983 117.9151 56.1068 31.9233 177.3522 33 G 3.9197 8.0087 106.7863 45.5916 0.0000 173.9715 34 K 4.2871 8.6782 121.9101 55.6567 33.6707 175.4652 35 E 4.6802 8.6589 127.3502 56.1102 30.4677 175.9179 36 V 4.6626 9.3452 119.4936 59.8713 36.6849 174.1648 37 M 4.8793 8.5149 121.6305 54.4216 33.8399 175.2372 38 V 4.6663 8.5692 124.1900 61.1337 31.6739 175.5668 39 L 4.1922 9.0040 129.1062 54.8120 42.2273 178.6548 40 G 3.8195 8.9216 110.0737 48.7258 0.0000 172.6108 41 E 5.5118 7.6824 116.2586 55.0096 34.2257 174.7490 42 V 4.7373 8.3955 119.4300 60.9624 35.5475 173.6863 43 N 5.3033 8.2830 117.2909 51.7786 39.7131 173.9220 44 I 3.8971 8.4213 124.6094 61.1712 37.4850 176.4137 45 N 4.1381 8.1433 125.8628 53.7107 37.2562 174.1238 46 N 4.3171 7.0983 127.8984 55.1362 44.1791 177.0198 47 S 4.4957 8.2958 125.6253 58.6685 64.3439 172.7507 48 V 4.6374 7.9275 113.2469 59.9644 32.9092 175.6416 49 F 4.6253 9.1364 123.2546 55.3684 40.6875 175.2021 50 K 4.0924 8.5812 126.3869 56.1022 32.7119 175.9866 51 Q 3.9435 8.6524 129.7432 56.6420 29.1779 174.7661 52 Y 5.0651 8.3070 123.6378 56.1970 41.5403 175.2076 53 F 5.4320 9.4304 120.3542 55.8820 43.3238 173.9408 54 F 4.5311 9.3815 125.5938 57.4347 39.8351 174.4262 55 E 4.9063 8.5068 125.7802 53.7452 33.1305 175.3468 56 T 4.9736 8.2237 118.8810 61.6808 72.0316 173.1173 57 K 4.6957 8.4625 124.2357 54.7544 36.9629 174.5260 58 C 4.7942 8.5412 118.1216 56.9379 40.5681 174.0778 59 R 4.1167 9.3259 125.2470 56.9277 30.5255 176.9213 60 D 4.2158 7.9840 126.2525 54.2346 38.0781 176.1573 *67 G 4.0021 7.9347 114.1731 45.4101 0.0000 170.9905 68 C 4.6482 7.9375 117.5566 55.5437 41.6153 173.4142 69 R 4.0744 8.4722 122.5611 57.3713 30.0862 176.4818 70 G 3.9525 8.7005 111.3466 46.4297 0.0000 173.2637 71 I 4.0844 7.5366 119.4649 60.0554 38.2720 176.2730 72 D 4.6225 8.4603 124.1845 53.5729 39.3843 176.6722 73 S 4.7215 8.3293 118.4298 58.9854 63.0753 175.4162 74 K 4.2163 7.8674 121.2773 58.2979 32.5134 176.7096 75 H 4.8221 8.2542 113.0528 54.8405 31.1115 173.7129 76 W 5.5851 7.9969 117.6836 54.9930 33.3043 174.4812 77 N 5.0909 9.7318 121.6525 52.6599 40.6773 173.8873 78 S 5.6752 8.6520 112.5247 59.4566 66.0627 173.4602 79 Y 4.9228 7.9767 116.9877 56.5039 40.8567 173.8441 80 C 5.1709 8.7626 117.9513 56.3259 41.8807 172.9699 81 T 4.7939 8.7400 115.6280 61.1689 71.0919 172.4826 82 T 4.7114 8.4895 123.9087 63.3954 69.4666 174.4284 83 T 4.2810 8.3086 116.1057 60.5138 72.1768 172.6813 84 H 5.3978 8.0078 118.2998 54.5457 32.4954 172.6581 85 T 4.4710 8.0789 111.5068 61.3273 71.3100 172.4742 86 F 5.2941 8.5284 123.5793 55.7745 40.8288 175.4738 87 V 4.7164 8.7283 123.2959 60.6183 34.7868 174.8523 88 K 3.9186 8.8803 127.6065 56.6811 32.8993 175.5192 89 A 4.0981 7.2737 123.8972 50.6587 23.4352 175.4151 90 L 5.1444 9.5623 124.0582 55.1988 43.2015 175.9895 91 T 5.2050 9.3959 116.5466 60.3577 73.1208 172.7671 92 M 5.0733 9.2500 123.0977 53.3312 32.9349 175.8742 93 D 4.4142 8.5560 123.9381 54.5653 39.5936 177.9306 94 G 3.9736 10.0254 108.0548 45.4663 0.0000 173.0946 95 K 4.6736 7.5982 120.0564 56.8162 40.0771 175.2810 96 Q 4.5618 8.3573 116.0029 53.6587 32.9766 173.8595 97 A 4.7967 8.4866 121.6228 52.1621 19.0001 176.9184 98 A 4.6909 9.3761 123.6969 50.1935 23.4817 175.3375 99 W 5.2386 8.8980 130.7977 57.2555 31.0658 175.6269 100 R 4.5635 8.7463 126.1969 54.0846 34.3022 174.7883 101 F 4.8855 8.5406 120.6738 57.3300 40.0596 174.6965 102 I 4.7981 9.1977 118.1032 58.9823 40.7938 174.5598 103 R 4.4946 8.5766 124.8419 55.5788 30.7240 175.6290 104 I 4.6526 8.0376 119.0016 58.6417 41.2647 174.5356 105 D 4.7598 8.5447 123.1190 55.3708 41.4180 176.7385 106 T 4.6050 8.3917 113.5238 61.5478 70.1182 172.4787 107 A 4.3625 7.3194 120.8009 52.0896 22.8943 175.2667 108 C 5.0686 8.6839 118.1189 55.3561 43.3809 173.4290 109 V 4.5010 8.7452 119.2348 59.5532 35.3783 173.6296 110 C 4.9363 8.4546 121.8535 55.3936 46.0247 172.6186 111 V 4.2029 8.5632 126.5003 61.0605 33.0358 174.3784 112 L 5.1293 8.3045 127.6275 53.9666 43.5570 176.2323 113 S 4.8047 8.8900 116.2735 57.1057 66.0082 173.9593 114 R 4.1457 9.0525 126.2200 56.4558 30.8961 176.8121 115 K 4.2108 7.8611 119.4846 56.5765 31.9170 176.4856 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 S 8.33 4.33 0.00 3.99 3.96 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 0.00 0.00 0.00 0.00 3 S 8.53 4.49 0.00 3.96 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 4 H 8.92 4.91 0.00 3.20 2.68 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.21 0.00 2.22 2.29 0.00 3.35 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 6 I 7.73 3.59 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.27 0.00 0.00 7 F 7.79 4.70 0.00 3.22 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 8 H 8.22 4.98 0.00 3.20 3.51 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.22 4.51 0.00 1.87 1.90 0.00 3.25 0.00 0.00 3.44 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 10 G 7.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.97 0.00 1.83 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 2.08 2.12 0.00 12 F 8.04 5.04 0.00 3.05 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 13 S 8.37 4.83 0.00 3.88 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 14 V 8.18 3.91 2.06 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 0.90 0.00 0.00 0.97 0.00 0.00 15 C 7.79 5.26 0.00 2.78 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 16 D 8.70 4.93 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 5.27 0.00 3.86 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 18 V 8.23 4.39 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 0.61 0.00 0.00 0.88 0.00 0.00 19 S 8.55 4.93 0.00 3.54 3.03 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 20 V 8.35 4.43 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 0.65 0.00 0.00 0.86 0.00 0.00 21 W 8.74 5.20 0.00 3.09 2.95 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 22 V 9.69 4.29 2.38 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 1.17 0.00 0.00 1.08 0.00 0.00 23 G 9.15 4.17 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 0.00 24 D 8.06 4.92 0.00 2.80 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 25 K 8.17 4.26 0.00 2.00 2.08 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.57 7.81 26 T 8.61 4.99 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 1.30 0.00 0.00 27 T 7.68 5.24 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 28 A 8.33 4.48 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 29 T 7.98 5.02 4.28 0.00 0.00 0.00 0.00 0.00 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 30 D 9.09 5.24 0.00 2.90 2.90 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 0.00 0.00 0.00 31 I 8.17 3.43 1.62 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.31 0.83 0.00 0.00 32 K 8.20 4.21 0.00 1.90 1.80 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 33 G 8.01 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 0.00 0.00 0.00 34 K 8.68 4.29 0.00 1.81 2.24 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 35 E 8.66 4.68 0.00 2.03 1.84 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 2.29 2.35 0.00 36 V 9.35 4.66 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 0.79 0.00 0.00 1.03 0.00 0.00 37 M 8.51 4.88 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 38 V 8.57 4.67 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 1.01 0.00 0.00 1.00 0.00 0.00 39 L 9.00 4.19 0.00 1.77 1.77 0.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.92 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 0.00 0.00 0.00 41 E 7.68 5.51 0.00 1.77 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 2.17 2.20 0.00 42 V 8.40 4.74 2.19 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 1.00 0.00 0.00 0.79 0.00 0.00 43 N 8.28 5.30 0.00 3.01 2.83 0.00 0.00 6.36 7.81 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 44 I 8.42 3.90 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.27 0.79 0.00 0.00 45 N 8.14 4.14 0.00 2.88 3.26 0.00 0.00 6.17 8.04 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 46 N 7.10 4.32 0.00 2.95 2.20 0.00 0.00 7.21 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 8.30 4.50 0.00 3.91 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 48 V 7.93 4.64 2.17 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 0.76 0.00 0.00 0.89 0.00 0.00 49 F 9.14 4.63 0.00 2.92 3.01 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 50 K 8.58 4.09 0.00 1.59 1.44 0.00 1.56 0.00 0.00 1.11 0.00 0.00 2.39 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.62 1.29 7.81 51 Q 8.65 3.94 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.42 0.00 0.00 0.00 0.00 0.00 1.80 2.15 0.00 52 Y 8.31 5.07 0.00 2.75 2.73 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 53 F 9.43 5.43 0.00 3.08 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 54 F 9.38 4.53 0.00 2.64 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 55 E 8.51 4.91 0.00 1.79 1.68 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 2.25 2.15 0.00 56 T 8.22 4.97 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 1.14 0.00 0.00 57 K 8.46 4.70 0.00 1.77 1.83 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.34 7.81 58 C 8.54 4.79 0.00 2.89 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 59 R 9.33 4.12 0.00 1.81 1.88 0.00 3.27 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 60 D 7.98 4.22 0.00 2.73 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 *67 G 7.93 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 0.00 0.00 0.00 68 C 7.94 4.65 0.00 2.98 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 69 R 8.47 4.07 0.00 1.83 1.83 0.00 3.37 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 70 G 8.70 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 71 I 7.54 4.08 1.90 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 1.35 0.86 0.97 0.00 0.00 72 D 8.46 4.62 0.00 2.82 2.78 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 73 S 8.33 4.72 0.00 3.94 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 74 K 7.87 4.22 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.43 7.81 75 H 8.25 4.82 0.00 2.75 2.66 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.00 5.59 0.00 3.27 3.07 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 77 N 9.73 5.09 0.00 2.94 2.86 0.00 0.00 6.47 7.67 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 78 S 8.65 5.68 0.00 3.84 3.96 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 0.00 0.00 0.00 0.00 79 Y 7.98 4.92 0.00 3.01 3.01 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 80 C 8.76 5.17 0.00 2.88 3.01 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 81 T 8.74 4.79 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 1.12 0.00 0.00 82 T 8.49 4.71 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 83 T 8.31 4.28 4.10 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 1.10 0.00 0.00 84 H 8.01 5.40 0.00 2.71 3.20 0.00 5.89 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 85 T 8.08 4.47 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 1.20 0.00 0.00 86 F 8.53 5.29 0.00 2.86 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 87 V 8.73 4.72 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 1.06 0.00 0.00 0.99 0.00 0.00 88 K 8.88 3.92 0.00 1.28 1.08 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.21 7.81 89 A 7.27 4.10 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 90 L 9.56 5.14 0.00 2.37 1.85 1.08 0.79 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 91 T 9.40 5.21 4.37 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 1.27 0.00 0.00 92 M 9.25 5.07 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 93 D 8.56 4.41 0.00 2.84 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 94 G 10.03 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 95 K 7.60 4.67 0.00 1.67 2.05 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.51 7.81 96 Q 8.36 4.56 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 97 A 8.49 4.80 1.25 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 0.00 0.00 0.00 98 A 9.38 4.69 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 99 W 8.90 5.24 0.00 3.19 2.95 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 0.00 100 R 8.75 4.56 0.00 1.67 1.70 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 101 F 8.54 4.89 0.00 2.93 2.95 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 0.00 102 I 9.20 4.80 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.89 0.00 0.00 103 R 8.58 4.49 0.00 1.93 1.79 0.00 3.03 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.00 104 I 8.04 4.65 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.51 0.00 0.00 105 D 8.54 4.76 0.00 2.56 2.73 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 0.00 106 T 8.39 4.61 4.17 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 1.21 0.00 0.00 107 A 7.32 4.36 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 0.00 108 C 8.68 5.07 0.00 2.88 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 0.00 109 V 8.75 4.50 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 0.54 0.00 0.00 0.85 0.00 0.00 110 C 8.45 4.94 0.00 2.88 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 0.00 111 V 8.56 4.20 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 0.89 0.00 0.00 0.38 0.00 0.00 112 L 8.30 5.13 0.00 1.30 1.28 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.89 4.80 0.00 3.99 3.83 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 0.00 0.00 0.00 114 R 9.05 4.15 0.00 1.65 1.67 0.00 3.12 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 115 K 7.86 4.21 0.00 1.68 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.