NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4563 8.3349 116.7970 58.5642 64.2875 172.4297 -1 N 4.9628 8.2110 118.5842 50.6409 42.1625 176.9431 0 A 4.3676 8.7509 122.7208 51.9990 18.8390 180.1372 0 K 4.3676 8.8009 119.3208 55.6990 32.8391 178.9372 3 K 4.2248 9.2363 124.1636 56.3918 33.6936 175.5890 4 I 4.9575 8.3408 127.1158 59.4441 40.6896 173.9028 5 E 4.7028 9.1347 127.1908 54.4180 33.1040 174.0096 6 I 4.9594 8.7376 127.7345 59.6456 40.4232 174.6168 7 F 4.7906 9.7922 126.9587 55.8446 39.7815 175.4313 8 D 5.0264 9.5208 124.5236 53.2647 42.1881 174.5676 9 P 4.6477 0.0000 0.0000 62.3090 32.8459 175.6367 10 A 5.0014 8.1678 121.7884 52.1190 18.5922 177.9445 *12 C 4.5036 8.6533 116.3190 59.4457 30.4449 172.9412 13 C 4.9649 7.5854 112.7882 53.0878 44.0768 173.0676 14 P 4.0910 0.0000 0.0000 65.2723 30.9592 177.4827 15 T 4.2122 7.8704 105.6342 60.6409 69.6338 175.6741 16 G 3.9287 7.9307 109.9253 46.0352 0.0000 173.7212 17 L 4.5064 7.5589 120.3389 54.8058 41.5826 174.2885 18 C 5.0634 8.0482 111.6964 54.7436 45.7049 174.1009 19 G 3.9232 8.9098 106.6855 45.2861 0.0000 173.8775 20 T 4.3459 8.3678 108.8797 63.2450 70.3899 174.7968 21 N 4.1779 8.1689 119.2197 56.0382 38.9680 175.8056 22 I 3.0669 7.5692 115.3664 61.4651 34.0538 173.6505 23 N 4.1744 8.2844 118.3703 53.6155 38.9138 173.2407 24 P 4.3528 0.0000 0.0000 65.3793 32.0120 177.7721 25 E 4.1270 9.0277 118.7315 59.5906 29.6257 180.3412 26 L 3.8153 7.7356 116.1303 55.3100 41.4642 179.2340 *28 R 4.1554 8.1480 119.6476 56.4570 31.7097 177.4147 29 I 3.6512 7.8670 117.3744 63.8786 37.8179 177.6507 30 A 3.9145 7.9742 121.7937 55.0289 18.1311 179.8333 31 V 3.4933 7.6314 116.3305 65.9464 31.6946 178.1887 32 V 3.5565 7.8123 117.9761 66.2369 31.4168 178.0161 33 I 3.6978 8.0217 119.7999 64.4196 36.9150 178.1069 34 E 3.9629 8.2299 120.1815 59.2597 29.2447 178.9817 35 S 4.1480 8.0321 114.5073 61.5124 63.0730 176.3608 36 L 4.1283 8.1074 121.7536 57.5202 41.3761 179.2634 37 K 4.0363 8.0106 120.8905 59.0241 31.9250 178.8783 38 K 4.2288 7.9748 116.9660 58.7986 31.0621 178.2174 39 Q 4.5955 8.1885 117.3558 55.1871 28.7713 176.8427 40 G 3.7908 8.3346 107.6829 45.7226 0.0000 173.5944 41 I 4.2686 7.1819 121.6740 59.3469 38.3364 174.7613 42 I 4.1830 8.2766 126.8295 59.7347 37.8068 175.4067 43 V 4.3738 8.0362 126.4896 60.8105 32.0997 175.4159 44 T 4.1149 8.3536 125.8326 63.4830 69.5068 174.0199 45 R 4.9771 8.3720 124.2835 54.6396 33.2755 174.8584 46 H 5.2406 8.8634 118.5724 52.9209 33.1065 171.9989 47 N 5.1417 8.8048 119.8197 51.7412 39.2510 174.4424 48 L 3.2010 8.3584 128.0629 58.2662 42.4372 179.2913 49 R 4.1444 8.3429 117.2540 58.9071 30.3275 176.6537 50 D 4.6819 7.4493 114.7521 55.4906 41.9593 176.7096 51 E 4.7832 8.4387 118.3156 53.6044 29.8765 174.6795 52 P 4.3664 0.0000 0.0000 65.3488 31.8444 177.9371 53 Q 4.1326 8.1603 118.2113 58.7332 29.1150 178.2631 54 V 4.0334 7.6242 120.8330 64.1603 31.3201 177.5878 55 Y 4.1393 8.2134 115.5046 59.5985 37.7778 177.2362 56 V 4.0383 7.5861 118.6680 65.1712 32.6437 177.1619 57 S 4.4645 8.3933 114.3096 60.4742 62.6001 173.2692 58 N 4.6364 7.9944 121.3859 52.3393 38.2537 175.3581 59 K 3.9782 8.5837 126.9568 59.6510 32.2413 179.4571 60 T 3.8280 7.7801 115.5853 66.5329 68.5071 176.7522 61 V 3.3279 7.4074 120.1815 65.7670 31.4781 177.3138 62 N 4.2518 8.1611 116.8068 57.0831 38.8841 176.4164 63 D 4.3769 8.1958 120.0385 57.4191 41.0402 178.6878 64 F 3.9864 8.1355 120.6165 61.2367 39.3843 177.2361 65 L 4.3489 8.1124 118.6748 57.6684 41.1468 179.3400 66 Q 4.0265 7.9029 117.3571 58.7230 28.7776 178.3508 67 K 4.3806 7.2571 115.6600 56.3186 32.3618 176.8123 68 H 4.3897 7.8715 114.7371 55.9381 34.9320 173.8211 69 G 3.8424 8.4476 105.8685 45.3041 0.0000 173.4434 70 A 4.5038 8.2378 118.8873 52.9994 19.0898 178.5114 71 D 4.5821 8.0330 114.0812 55.2642 41.0756 176.8483 72 A 4.3319 7.7076 121.4352 53.2875 19.2227 177.4786 73 L 4.6893 7.5400 116.7442 53.9232 42.6410 175.3701 74 P 4.8422 0.0000 0.0000 62.5324 33.3240 174.6496 75 I 4.8124 8.4815 122.7702 59.9895 39.7864 174.5254 76 T 5.0059 8.6677 123.4471 61.8649 71.0405 173.2391 77 L 4.8333 9.1582 127.0576 53.2243 44.2712 175.7332 78 V 4.3017 8.1958 123.0744 61.2982 33.9926 175.2568 79 D 4.1828 10.0834 129.5135 55.1972 38.9834 175.0193 80 G 3.9594 8.5182 107.3400 44.9244 0.0000 173.9003 81 E 4.5997 7.5829 118.9287 53.8123 31.8929 175.5298 82 I 3.6059 8.2085 122.1792 62.1208 37.5144 175.5620 83 A 4.5742 8.6749 127.3692 52.7478 21.2127 176.4774 84 V 4.5430 7.2767 113.3809 61.4814 34.8849 173.5236 85 S 5.4234 8.1516 118.0823 56.6293 66.2296 175.1158 86 Q 3.8459 9.0499 122.3012 56.8493 29.1012 173.8729 87 T 4.6171 7.7780 105.9572 59.3162 71.8707 172.9614 88 Y 4.3127 8.2649 119.9875 56.7094 38.7698 174.0624 89 P 4.4516 0.0000 0.0000 63.1070 31.9807 176.5760 90 T 4.1010 8.2083 112.3984 61.6594 69.3110 174.7028 91 T 3.8943 8.3468 119.3208 66.6204 69.0265 175.8836 92 K 3.9014 8.1661 122.1695 59.7551 32.2806 179.6124 93 Q 3.4460 7.5471 114.4650 56.4165 28.1652 178.3802 *95 S 4.4683 8.0477 114.5462 58.5005 64.4543 175.7857 96 E 3.9631 8.0220 119.7391 59.1117 29.2888 179.0343 97 W 4.7336 8.5103 117.3741 58.8377 29.6526 176.9449 98 T 4.4553 7.7657 112.7745 62.3721 70.1144 176.1479 99 G 3.9875 8.1834 108.0835 45.2846 0.0000 173.4484 100 V 3.9540 7.1056 119.6273 61.5794 32.3525 174.8444 101 N 4.6198 8.4770 125.9233 52.7596 37.5087 174.1501 102 L 4.2147 7.8355 123.3335 55.0698 42.8231 177.3364 103 D 4.8769 8.6035 119.6816 54.8482 40.2417 174.5005 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 4.46 0.00 3.89 3.89 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 -1 N 8.21 4.96 0.00 2.80 2.73 0.00 0.00 6.88 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.75 4.37 1.02 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 K 8.80 4.37 0.00 1.59 0.88 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 3 K 9.24 4.22 0.00 1.76 1.71 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 4 I 8.34 4.96 1.92 0.00 0.00 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 1.18 1.29 1.04 0.00 0.00 5 E 9.13 4.70 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 1.86 2.12 0.00 6 I 8.74 4.96 1.90 0.00 0.00 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 1.37 0.59 1.13 0.00 0.00 7 F 9.79 4.79 0.00 2.95 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 8 D 9.52 5.03 0.00 2.81 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 9 P 0.00 4.65 0.00 2.13 2.04 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 10 A 8.17 5.00 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 *12 C 8.65 4.50 0.00 3.01 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 13 C 7.59 4.96 0.00 3.05 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 14 P 0.00 4.09 0.00 2.05 2.17 0.00 3.65 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 2.03 2.09 0.00 15 T 7.87 4.21 4.20 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 0.00 0.00 1.19 0.00 0.00 16 G 7.93 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 17 L 7.56 4.51 0.00 1.66 1.66 0.89 0.79 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 18 C 8.05 5.06 0.00 3.02 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 19 G 8.91 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 20 T 8.37 4.35 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 21 N 8.17 4.18 0.00 2.69 2.92 0.00 0.00 7.04 7.94 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 22 I 7.57 3.07 1.94 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 1.39 0.80 0.91 0.00 0.00 23 N 8.28 4.17 0.00 2.75 2.79 0.00 0.00 7.06 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.35 0.00 2.08 2.10 0.00 3.76 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 2.03 2.11 0.00 25 E 9.03 4.13 0.00 2.22 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 0.00 2.38 2.53 0.00 26 L 7.74 3.82 0.00 1.85 1.73 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *28 R 8.15 4.16 0.00 1.94 2.09 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 29 I 7.87 3.65 1.68 0.00 0.00 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 1.39 1.26 0.42 0.00 0.00 30 A 7.97 3.91 1.28 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 0.00 0.00 0.00 31 V 7.63 3.49 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 1.00 0.00 0.00 0.91 0.00 0.00 32 V 7.81 3.56 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 0.98 0.00 0.00 0.91 0.00 0.00 33 I 8.02 3.70 1.96 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 1.41 0.83 0.89 0.00 0.00 34 E 8.23 3.96 0.00 2.08 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 0.00 2.29 2.38 0.00 35 S 8.03 4.15 0.00 4.01 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 36 L 8.11 4.13 0.00 1.84 1.82 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.01 4.04 0.00 1.94 1.99 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 38 K 7.97 4.23 0.00 1.97 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.75 7.81 39 Q 8.19 4.60 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.71 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 40 G 8.33 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 0.00 0.00 0.00 41 I 7.18 4.27 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.93 0.00 0.00 42 I 8.28 4.18 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 1.29 0.80 0.89 0.00 0.00 43 V 8.04 4.37 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 1.00 0.00 0.00 0.97 0.00 0.00 44 T 8.35 4.11 4.12 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 0.99 0.00 0.00 45 R 8.37 4.98 0.00 1.57 1.73 0.00 3.11 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 46 H 8.86 5.24 0.00 2.62 3.12 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.80 5.14 0.00 2.88 2.71 0.00 0.00 6.70 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 48 L 8.36 3.20 0.00 1.14 1.52 0.26 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.34 4.14 0.00 1.79 2.11 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 50 D 7.45 4.68 0.00 2.73 2.72 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 51 E 8.44 4.78 0.00 2.09 1.91 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 2.25 2.30 0.00 52 P 0.00 4.37 0.00 2.18 2.07 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 53 Q 8.16 4.13 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 54 V 7.62 4.03 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 1.14 0.00 0.00 0.83 0.00 0.00 55 Y 8.21 4.14 0.00 3.18 3.14 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 0.00 56 V 7.59 4.04 2.28 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 0.93 0.00 0.00 0.99 0.00 0.00 57 S 8.39 4.46 0.00 4.08 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 0.00 58 N 7.99 4.64 0.00 2.86 2.64 0.00 0.00 7.15 6.61 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 59 K 8.58 3.98 0.00 1.78 1.83 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.46 7.81 60 T 7.78 3.83 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 1.14 0.00 0.00 61 V 7.41 3.33 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 0.64 0.00 0.00 -0.39 0.00 0.00 62 N 8.16 4.25 0.00 3.07 2.91 0.00 0.00 7.27 8.03 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 63 D 8.20 4.38 0.00 2.77 2.72 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 64 F 8.14 3.99 0.00 3.26 3.14 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 0.00 65 L 8.11 4.35 0.00 2.05 1.76 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.90 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.14 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 67 K 7.26 4.38 0.00 1.52 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 68 H 7.87 4.39 0.00 2.65 3.00 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.45 3.84 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 0.00 0.00 0.00 70 A 8.24 4.50 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 71 D 8.03 4.58 0.00 2.72 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 72 A 7.71 4.33 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.54 4.69 0.00 1.73 1.77 1.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.84 0.00 1.82 1.82 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 75 I 8.48 4.81 1.78 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 1.02 0.92 0.60 0.00 0.00 76 T 8.67 5.01 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 1.29 0.00 0.00 77 L 9.16 4.83 0.00 1.54 1.48 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.20 4.30 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.90 0.00 0.00 79 D 10.08 4.18 0.00 2.63 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 80 G 8.52 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 0.00 0.00 0.00 81 E 7.58 4.60 0.00 1.94 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 2.17 2.17 0.00 82 I 8.21 3.61 1.69 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.36 0.00 0.00 83 A 8.67 4.57 1.12 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 0.00 0.00 84 V 7.28 4.54 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 1.19 0.00 0.00 1.21 0.00 0.00 85 S 8.15 5.42 0.00 4.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.05 3.85 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 87 T 7.78 4.62 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 1.21 0.00 0.00 88 Y 8.26 4.31 0.00 3.07 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 89 P 0.00 4.45 0.00 2.17 2.16 0.00 3.97 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 2.35 2.39 0.00 90 T 8.21 4.10 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 1.18 0.00 0.00 91 T 8.35 3.89 4.20 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 0.00 0.00 1.17 0.00 0.00 92 K 8.17 3.90 0.00 1.70 1.69 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 93 Q 7.55 3.45 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.16 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 *95 S 8.05 4.47 0.00 3.97 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 96 E 8.02 3.96 0.00 1.96 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 2.27 2.18 0.00 97 W 8.51 4.73 0.00 3.44 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 98 T 7.77 4.46 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 1.29 0.00 0.00 99 G 8.18 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 0.00 100 V 7.11 3.95 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 1.00 0.00 0.00 0.94 0.00 0.00 101 N 8.48 4.62 0.00 2.69 2.74 0.00 0.00 7.16 7.78 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 0.00 102 L 7.84 4.21 0.00 1.69 1.56 0.92 1.04 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 0.00 103 D 8.60 4.88 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.