NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5583 8.3349 117.1085 58.1018 62.8963 172.1053 9 Q 4.9478 8.1797 124.3441 51.7781 32.6420 174.4343 10 F 4.0435 9.3327 122.5316 57.2108 39.3538 174.5521 11 I 3.9830 7.4557 128.5522 59.9316 37.9162 176.3768 12 V 3.5072 8.2752 124.9306 66.2958 31.7637 177.6846 13 D 4.3809 8.0185 117.9344 57.2286 40.5903 178.5414 14 D 4.2427 7.8006 119.1653 57.2953 40.9819 178.7185 15 V 3.4085 7.3518 118.4106 65.7885 31.5570 177.8520 16 S 4.0419 8.3166 113.3779 61.3922 62.1621 176.4205 17 K 3.9531 7.8627 120.5706 59.6220 31.7246 179.3281 18 T 3.7782 7.7683 115.9726 66.7132 68.3075 176.4550 19 I 3.5893 7.7271 121.3828 64.4829 37.1630 178.4931 20 K 3.8157 7.8277 118.7167 59.6279 31.8038 179.1832 21 E 3.8781 8.2976 118.4485 59.3904 29.3432 179.3008 22 A 3.8705 7.9933 120.8195 55.1479 18.2892 179.6249 23 I 3.1925 7.7189 118.6317 64.1184 37.2309 177.8505 24 E 3.6461 8.1212 120.2888 60.0372 29.2090 179.4697 25 T 3.8230 7.7881 114.0328 66.1556 68.4446 176.3487 26 T 4.0497 7.0843 116.4730 64.9670 69.4338 175.8279 27 I 3.3420 6.6534 111.4376 58.8471 38.9381 175.5327 28 G 4.0557 6.8442 110.3187 46.8367 0.0000 173.8021 29 G 3.9387 9.2577 113.8208 45.3137 0.0000 172.5797 30 N 4.8275 7.8854 117.2430 51.7277 40.8504 173.4705 31 A 4.8565 8.2502 119.8713 50.4536 22.1971 175.4749 32 Y 4.3390 8.7141 122.0197 58.4779 39.3365 177.2419 33 Q 4.0508 7.9728 125.1591 55.7021 30.4914 175.6945 34 H 3.5258 7.1056 122.3718 58.8125 31.2732 176.6767 35 D 4.4065 7.9416 117.7833 56.0207 41.0714 177.1934 36 K 3.8744 7.9280 117.5871 56.8488 34.1920 178.6770 37 V 3.6392 6.7455 118.9277 65.9028 30.7629 177.6203 38 N 4.3508 7.7971 116.0369 56.1339 38.4373 176.5898 39 N 4.3913 7.8013 117.9240 55.8675 39.1308 177.0669 40 W 4.4076 7.8259 120.7828 60.0698 29.3454 178.4415 41 T 4.0539 8.2497 109.9119 64.8701 67.9551 176.5661 42 G 3.6221 7.8939 107.7261 47.7526 0.0000 175.7414 43 Q 4.0278 8.2911 120.6908 58.4864 28.7079 178.9844 44 V 3.5490 7.9098 119.3030 65.9329 31.5549 178.1020 45 V 3.5685 7.5906 117.2995 66.2846 31.4467 177.7767 46 E 3.9791 8.3281 118.1739 59.3771 29.3083 179.2012 47 N 4.2772 8.9130 117.4008 56.5138 38.6066 177.0546 48 C 3.9664 8.0109 117.8780 62.9557 28.1826 176.1444 49 L 3.8574 7.9366 120.3088 58.1851 41.1936 179.8743 50 T 3.8147 7.9245 115.4299 66.5605 67.8904 176.9191 51 V 3.5147 7.5882 119.9731 65.9522 31.3336 178.0786 52 L 3.7743 7.6203 117.7772 57.9439 41.6662 179.4023 53 T 4.1656 8.0839 109.9376 64.6330 68.5258 176.8546 54 K 4.0298 7.8820 120.7241 59.1663 32.0892 178.5582 55 E 4.0729 7.9462 116.7807 56.8779 29.0465 177.3582 56 Q 3.8608 7.7518 116.6488 56.6081 27.1647 174.0334 57 K 4.4555 7.4511 115.8421 55.2903 33.8022 175.9032 58 P 4.7049 0.0000 0.0000 63.2072 29.5026 174.9413 59 Y 5.0742 7.6558 116.6584 56.9090 42.8761 176.5479 60 K 4.7631 9.0990 121.5857 55.4661 34.6695 175.2443 61 Y 5.5607 8.4929 118.6910 56.5240 42.3060 174.8615 62 I 4.7994 9.1052 122.0755 59.6730 41.0111 174.5665 63 V 5.1194 8.7570 126.5805 61.2378 34.0901 174.5274 64 T 4.8446 9.1279 117.5471 60.0330 71.8467 172.8942 65 A 5.1825 8.2320 124.7883 49.1824 22.8735 174.2928 *67 I 4.5950 8.0599 117.3546 61.5497 38.2773 175.0511 *69 Q 3.7425 8.2284 120.8845 55.5374 29.4109 174.6470 70 K 4.1269 8.8417 125.6669 56.7159 32.4067 177.1998 71 N 4.6927 8.7420 118.2359 54.3513 41.5723 174.7994 72 G 3.9054 8.3718 105.7989 45.3557 0.0000 174.1165 73 A 3.9952 7.6648 122.3245 52.2494 18.8382 177.3945 74 G 3.7841 8.4386 111.4382 45.0493 0.0000 172.9032 75 L 4.7753 8.0225 123.7379 53.2368 44.9898 175.3581 76 H 4.9939 8.7791 121.8922 54.2664 32.5615 172.7770 77 T 4.7589 8.4231 112.2238 59.9263 71.7738 172.9539 78 A 4.7978 8.1782 124.8020 50.9714 22.3859 175.6006 79 S 4.5630 8.2877 112.1140 57.9399 65.2679 174.2103 80 S 4.3890 8.0766 115.6129 58.2124 65.0615 172.2146 81 C 4.3133 7.6117 117.3447 58.4842 31.5423 173.4732 82 Y 4.5173 8.1227 122.4764 55.8572 39.2418 174.1603 83 W 4.6937 7.7638 126.5788 55.7853 30.0797 174.1947 84 N 4.6042 8.8970 118.9963 52.4258 37.5507 176.3755 85 N 4.5107 8.7172 123.0373 54.8809 38.8211 175.5193 86 D 4.6344 8.4540 117.8467 54.7927 42.1120 176.6259 87 T 4.5722 7.7389 106.0628 61.1802 70.7092 173.9935 88 D 4.5796 7.7307 122.0201 52.9985 42.8975 175.8246 89 G 3.7624 7.0715 107.1824 45.9374 0.0000 171.2794 90 S 5.1110 8.1776 112.7845 57.8952 65.8872 173.8603 91 C 4.8064 8.9331 120.3237 58.2594 35.0873 172.5258 92 T 4.9414 8.6337 122.1760 61.8055 70.8940 173.2720 93 V 4.4303 8.7307 126.8802 61.0643 34.1988 174.3129 94 R 5.0646 8.5944 126.0936 54.2110 32.2133 175.1421 95 W 5.1248 8.7016 133.2522 55.7904 34.6370 173.5090 96 E 4.9105 7.1227 120.3362 55.6241 31.2640 174.8087 97 N 4.8895 8.2741 119.9611 52.0291 39.1178 174.4377 98 K 4.1377 8.7507 114.9170 58.9403 32.8068 177.5606 99 T 4.3219 8.3282 107.4726 61.8564 69.6151 173.0483 *101 Y 4.7826 7.5046 123.8033 57.9341 40.2916 173.0268 102 C 5.1895 9.1106 126.4558 57.6010 35.1234 172.4779 103 I 5.0226 8.2189 124.3393 59.5431 40.8462 174.3335 104 V 4.7594 8.7674 125.9554 61.2043 34.9006 174.2121 105 S 5.1014 9.5798 123.4121 56.6170 66.5784 173.0700 106 V 4.7984 8.4210 123.4538 61.0614 34.5829 173.9921 107 F 5.2179 9.6727 126.9800 55.7659 41.9554 174.3287 108 G 4.3270 8.6080 112.2402 44.3681 0.0000 172.0088 109 L 5.2304 8.8000 125.4896 52.3341 44.7573 176.0042 110 A 3.4896 9.0055 126.8329 51.8703 18.8859 177.4570 111 V 3.6891 7.8549 121.7526 63.1602 31.1720 175.7868 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 8 S 8.33 4.56 0.00 3.65 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 9 Q 8.18 4.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 10 F 9.33 4.04 0.00 2.51 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 11 I 7.46 3.98 1.70 0.00 0.00 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 1.46 0.81 0.97 0.00 0.00 12 V 8.28 3.51 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 1.19 0.00 0.00 1.09 0.00 0.00 13 D 8.02 4.38 0.00 2.68 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 14 D 7.80 4.24 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 15 V 7.35 3.41 1.95 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 0.93 0.00 0.00 0.32 0.00 0.00 16 S 8.32 4.04 0.00 3.93 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 17 K 7.86 3.95 0.00 1.99 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.74 7.81 18 T 7.77 3.78 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 1.10 0.00 0.00 19 I 7.73 3.59 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.85 0.00 0.00 20 K 7.83 3.82 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.66 7.81 21 E 8.30 3.88 0.00 2.20 1.93 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 2.28 2.36 0.00 22 A 7.99 3.87 1.29 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 0.00 0.00 23 I 7.72 3.19 1.29 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 1.37 0.68 -0.52 0.00 0.00 24 E 8.12 3.65 0.00 2.14 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 2.34 2.43 0.00 25 T 7.79 3.82 4.18 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 1.14 0.00 0.00 26 T 7.08 4.05 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 1.18 0.00 0.00 27 I 6.65 3.34 1.36 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.45 0.53 0.00 0.00 28 G 6.84 4.06 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 0.00 0.00 0.00 29 G 9.26 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 0.00 0.00 0.00 30 N 7.89 4.83 0.00 2.30 2.85 0.00 0.00 6.47 8.31 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 31 A 8.25 4.86 1.31 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 0.00 0.00 0.00 32 Y 8.71 4.34 0.00 3.09 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 33 Q 7.97 4.05 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.31 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 34 H 7.11 3.53 0.00 3.16 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.94 4.41 0.00 2.58 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 36 K 7.93 3.87 0.00 0.79 1.46 0.00 1.37 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.95 0.23 7.81 37 V 6.75 3.64 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 1.32 0.00 0.00 0.68 0.00 0.00 38 N 7.80 4.35 0.00 2.65 2.79 0.00 0.00 6.82 6.92 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 39 N 7.80 4.39 0.00 2.69 2.61 0.00 0.00 7.23 7.95 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 40 W 7.83 4.41 0.00 3.64 2.97 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 41 T 8.25 4.05 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 1.38 0.00 0.00 42 G 7.89 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.29 4.03 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.81 0.00 44 V 7.91 3.55 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 0.91 0.00 0.00 0.86 0.00 0.00 45 V 7.59 3.57 2.26 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 1.01 0.00 0.00 1.03 0.00 0.00 46 E 8.33 3.98 0.00 2.20 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 2.43 2.51 0.00 47 N 8.91 4.28 0.00 2.94 2.80 0.00 0.00 7.01 5.12 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 48 C 8.01 3.97 0.00 3.08 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 49 L 7.94 3.86 0.00 1.83 1.72 1.01 0.69 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 50 T 7.92 3.81 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 1.19 0.00 0.00 51 V 7.59 3.51 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 0.94 0.00 0.00 0.94 0.00 0.00 52 L 7.62 3.77 0.00 1.05 0.42 0.46 0.51 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 53 T 8.08 4.17 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 1.34 0.00 0.00 54 K 7.88 4.03 0.00 2.02 1.90 0.00 1.60 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 55 E 7.95 4.07 0.00 2.23 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 0.00 2.29 2.54 0.00 56 Q 7.75 3.86 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 57 K 7.45 4.46 0.00 1.96 2.08 0.00 1.77 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.47 7.81 58 P 0.00 4.70 0.00 1.91 2.16 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 59 Y 7.66 5.07 0.00 2.57 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 0.00 0.00 0.00 0.00 60 K 9.10 4.76 0.00 1.65 1.73 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 61 Y 8.49 5.56 0.00 2.90 2.87 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 62 I 9.11 4.80 2.30 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 1.10 1.10 0.00 0.00 63 V 8.76 5.12 2.14 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 0.89 0.00 0.00 0.98 0.00 0.00 64 T 9.13 4.84 4.34 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 1.38 0.00 0.00 65 A 8.23 5.18 1.22 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 0.00 0.00 0.00 *67 I 8.06 4.59 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.81 1.15 0.00 0.00 *69 Q 8.23 3.74 0.00 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 70 K 8.84 4.13 0.00 1.75 1.73 0.00 1.95 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.47 7.81 71 N 8.74 4.69 0.00 2.58 2.69 0.00 0.00 7.43 7.98 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 72 G 8.37 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 0.00 0.00 0.00 73 A 7.66 4.00 1.22 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 0.00 0.00 0.00 74 G 8.44 3.78 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 0.00 0.00 0.00 75 L 8.02 4.78 0.00 1.47 1.36 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.78 4.99 0.00 3.11 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.42 4.76 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 1.28 0.00 0.00 78 A 8.18 4.80 1.22 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 0.00 0.00 0.00 79 S 8.29 4.56 0.00 4.01 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 80 S 8.08 4.39 0.00 3.73 3.65 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 81 C 7.61 4.31 0.00 1.55 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 0.00 0.00 0.00 0.00 82 Y 8.12 4.52 0.00 2.76 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 83 W 7.76 4.69 0.00 3.43 3.04 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 84 N 8.90 4.60 0.00 2.72 2.80 0.00 0.00 7.64 7.53 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 85 N 8.72 4.51 0.00 2.81 2.94 0.00 0.00 7.02 8.06 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 86 D 8.45 4.63 0.00 2.56 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 87 T 7.74 4.57 4.15 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 1.13 0.00 0.00 88 D 7.73 4.58 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.07 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 0.00 0.00 0.00 90 S 8.18 5.11 0.00 3.63 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 0.00 91 C 8.93 4.81 0.00 3.10 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.63 4.94 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 1.23 0.00 0.00 93 V 8.73 4.43 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 1.01 0.00 0.00 0.92 0.00 0.00 94 R 8.59 5.06 0.00 1.71 1.73 0.00 3.36 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 95 W 8.70 5.12 0.00 3.25 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.12 4.91 0.00 2.01 1.86 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 2.09 2.02 0.00 97 N 8.27 4.89 0.00 2.72 2.51 0.00 0.00 6.14 7.13 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 98 K 8.75 4.14 0.00 1.79 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.40 7.81 99 T 8.33 4.32 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 *101 Y 7.50 4.78 0.00 3.14 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 0.00 102 C 9.11 5.19 0.00 3.03 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 0.00 103 I 8.22 5.02 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.94 0.00 0.00 104 V 8.77 4.76 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 1.06 0.00 0.00 0.88 0.00 0.00 105 S 9.58 5.10 0.00 3.75 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 0.00 106 V 8.42 4.80 2.14 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 1.27 0.00 0.00 0.90 0.00 0.00 107 F 9.67 5.22 0.00 3.12 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 0.00 108 G 8.61 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 0.00 109 L 8.80 5.23 0.00 1.60 1.55 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 110 A 9.01 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.85 3.69 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 0.67 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.