NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.7299 8.4549 118.1605 56.7022 41.6465 173.6842 3 D 4.0736 8.8747 125.0648 56.5135 40.8315 175.3598 4 Y 4.8235 9.2014 117.9732 56.6901 42.8849 173.6921 5 T 5.1263 9.1672 122.5470 62.3562 69.6732 173.1321 6 C 5.1158 9.1623 126.3087 55.4097 40.9414 175.5007 7 G 3.8950 7.9879 117.4309 46.8616 0.0000 172.5934 8 S 4.4161 8.8178 119.6049 58.4084 63.3832 173.3197 9 N 4.6243 8.2498 120.2921 51.9117 39.7942 172.7829 10 C 5.2267 8.1455 122.2710 54.9356 46.8296 172.3729 11 Y 5.2844 9.7560 124.7822 56.2630 41.1152 175.5089 12 S 5.1306 9.3677 117.7640 57.3310 65.3569 175.4619 13 S 4.3758 9.2290 117.0377 61.5328 62.4418 177.0004 14 S 4.4360 7.9890 117.6256 59.9021 63.2676 176.1222 15 D 4.3760 7.9971 122.4685 57.3376 40.6164 178.7789 16 V 3.4593 7.9262 118.8377 66.0398 31.3223 178.2054 17 S 4.1591 8.1768 113.9912 61.6518 62.5832 176.5766 18 T 3.8461 8.0611 119.0686 66.3707 68.2468 176.4917 19 A 4.1842 7.8689 122.1599 55.1594 18.3782 179.3828 20 Q 3.7261 8.4803 118.2997 59.2267 29.1187 178.3479 21 A 3.7800 7.9239 121.4293 55.0583 18.5098 179.5219 22 A 3.8256 7.6292 119.3866 55.2221 18.6076 180.1918 23 G 2.1770 7.1198 104.1609 47.4056 0.0000 175.3610 24 Y 3.5211 7.4009 122.2447 60.1159 38.6194 177.8237 25 Q 3.7480 7.6123 120.1134 59.0997 29.1712 178.2672 26 L 3.8351 7.4296 119.7272 57.7779 41.7185 178.8375 27 H 3.8877 7.7666 117.9210 59.2490 29.5301 176.8913 28 E 3.5662 7.5151 119.7420 59.1837 29.5460 177.9905 29 D 4.4874 7.9972 116.5955 54.2163 41.2629 176.3817 30 G 3.7263 7.6102 106.9721 46.8883 0.0000 173.2158 31 E 4.9769 8.4629 117.8693 54.4861 32.5957 175.6445 32 T 5.2451 8.3182 110.6264 60.5389 72.7725 173.1100 33 V 4.5677 9.5322 120.7950 61.5806 35.2120 175.6151 34 G 4.5591 9.1646 108.7288 45.6427 0.0000 174.5685 35 S 4.1510 8.5670 114.1591 61.1493 63.0627 175.0371 36 N 4.4167 8.1816 115.2236 52.4954 38.8743 174.8911 37 S 3.7463 7.5790 114.1386 59.7081 60.4614 171.1365 38 Y 5.0460 8.4190 119.6522 56.3272 40.0714 174.4432 39 P 5.5989 0.0000 0.0000 63.2403 32.7178 174.9104 40 H 5.3151 8.8483 116.7137 53.1976 32.5186 172.4650 41 K 4.0917 9.0190 120.4826 57.0948 32.9924 175.0889 42 Y 4.7483 8.8238 128.3938 56.0558 40.3562 175.8807 43 N 4.1134 8.3634 123.8109 53.1997 39.6592 174.2712 44 N 3.6110 5.7700 115.4842 53.4066 37.0928 174.9436 45 Y 4.1763 7.0971 115.8008 61.1753 38.5140 178.2186 46 E 3.8458 8.1330 117.5743 56.8472 29.6867 176.5632 47 G 3.7359 7.6696 106.8175 46.3360 0.0000 174.3571 48 F 4.1971 7.9953 117.3343 57.2981 39.4717 176.2775 49 D 4.6637 8.1054 124.1195 52.9028 39.7261 176.1431 50 F 4.7920 7.8917 121.5609 57.0271 39.9839 176.0929 51 S 4.6341 8.7406 116.7394 58.6326 63.5793 174.1361 52 V 4.6076 7.5778 113.7809 59.5094 34.6496 175.2321 53 S 4.5658 8.4193 116.4485 57.5801 64.0774 173.9404 54 S 3.2405 7.9044 116.5608 55.9562 64.1183 171.8521 55 P 4.0476 0.0000 0.0000 63.0273 32.3823 174.8511 56 Y 4.9859 7.7457 117.8657 56.6322 41.3983 174.2257 57 Y 5.0864 8.4956 118.6290 56.1039 42.4487 174.2058 58 E 4.9695 9.2371 120.6597 54.4570 33.0974 174.6510 59 W 5.2940 8.6068 130.3879 55.2450 34.6298 172.3730 60 P 4.2980 0.0000 0.0000 62.2931 31.4767 175.3678 61 I 4.3373 7.8074 123.2352 59.0581 40.4057 174.5988 62 L 4.8237 8.2743 128.5956 52.8326 43.7912 177.5690 63 S 4.5713 8.7446 116.9890 60.2885 63.4250 175.5166 64 S 4.1732 8.0192 115.4464 59.8064 63.0670 175.2077 65 G 4.0743 8.1379 109.1402 45.1657 0.0000 173.6968 66 D 4.5601 7.4645 118.7055 54.0602 41.4488 176.0349 67 V 4.1330 8.0538 121.3348 61.8673 32.5675 175.3821 68 Y 4.1754 8.6348 127.9087 58.0273 39.0037 175.7342 69 S 4.5327 7.6579 120.7328 58.2174 63.5126 174.7280 70 G 3.8752 6.2740 108.5497 45.9061 0.0000 174.4016 71 G 4.3277 6.7087 112.7453 44.9321 0.0000 174.1236 72 S 4.2778 8.6856 119.3657 57.8139 62.6884 173.0371 73 P 4.0526 0.0000 0.0000 63.2434 31.6832 177.5376 74 G 3.8437 7.8961 107.6059 44.6508 0.0000 172.4109 75 A 4.4300 8.3470 118.2196 53.3209 20.0737 177.1893 76 D 5.4103 8.0337 115.3912 52.8494 43.6877 175.8704 77 R 4.8129 8.7119 120.3336 54.5725 34.9250 174.6436 78 V 4.2777 8.5993 116.2870 60.2019 33.9214 175.0986 79 V 4.6289 8.7587 124.5224 60.9372 34.0298 174.4307 80 F 5.4936 8.4045 121.9639 55.4469 42.3215 172.9561 81 N 5.9736 8.6060 116.4644 50.4709 39.8692 175.1575 82 E 4.3029 9.2005 116.9407 59.5176 29.6306 177.6051 83 N 4.6874 8.7076 114.5636 52.3563 38.7673 174.1869 84 N 3.7435 7.8270 115.5791 54.6211 37.7871 173.6865 85 Q 4.5487 8.0302 114.5433 53.3596 30.9336 175.1931 86 L 4.2545 8.4332 124.2249 55.2026 42.8408 175.9830 87 A 4.1152 8.8282 129.7787 52.2944 19.7637 176.8534 88 G 3.8131 6.1166 99.9650 46.4757 0.0000 170.9054 89 V 4.6352 7.4189 118.9989 60.7713 34.0647 174.7266 90 I 4.9573 8.4768 120.6280 59.5288 41.3596 174.0268 91 T 5.2706 8.9383 116.5704 61.2531 70.9249 174.4543 92 H 4.4607 9.4725 123.3837 57.5580 29.2028 175.9386 93 T 3.9935 7.6741 116.9381 65.2337 68.2737 174.3777 94 G 3.8485 9.1341 114.0394 45.4863 0.0000 172.2121 95 A 4.7195 7.7619 123.7864 50.8441 21.7631 177.1159 *96 S 4.7931 8.3769 115.2469 57.5512 65.0984 174.5348 97 G 3.6921 8.2783 114.7259 47.6397 0.0000 174.2668 98 N 4.6175 8.7387 120.1621 52.1272 37.2328 173.2827 99 N 5.0196 7.8398 118.1183 53.0604 40.4347 173.5293 100 F 5.3677 9.1637 117.1871 56.1934 43.1130 175.1356 101 V 4.9802 9.0280 112.5044 59.7824 35.5783 175.3438 102 E 4.2464 8.8561 122.0473 56.1438 30.7172 176.8031 103 C 4.9738 8.9250 120.9568 55.3165 40.0531 174.1804 104 T 4.2011 8.4613 113.3363 61.7154 68.5766 173.8529 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 C 8.45 4.73 0.00 2.97 3.28 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 3 D 8.87 4.07 0.00 3.04 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 4 Y 9.20 4.82 0.00 3.17 2.88 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 5 T 9.17 5.13 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 1.25 0.00 0.00 6 C 9.16 5.12 0.00 3.06 3.22 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 7 G 7.99 3.90 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 0.00 0.00 0.00 8 S 8.82 4.42 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 9 N 8.25 4.62 0.00 2.85 2.20 0.00 0.00 6.39 7.92 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 10 C 8.15 5.23 0.00 2.84 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 11 Y 9.76 5.28 0.00 2.86 2.82 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 12 S 9.37 5.13 0.00 3.94 4.04 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 13 S 9.23 4.38 0.00 3.95 4.04 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 14 S 7.99 4.44 0.00 4.07 4.14 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 15 D 8.00 4.38 0.00 3.22 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 16 V 7.93 3.46 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 0.85 0.00 0.00 0.66 0.00 0.00 17 S 8.18 4.16 0.00 4.06 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 0.00 18 T 8.06 3.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 19 A 7.87 4.18 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.48 3.73 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 21 A 7.92 3.78 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 22 A 7.63 3.83 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 23 G 7.12 2.18 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 0.00 24 Y 7.40 3.52 0.00 2.21 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 3.75 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 L 7.43 3.84 0.00 1.66 1.84 0.75 0.83 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 27 H 7.77 3.89 0.00 3.11 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.52 3.57 0.00 1.38 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 2.17 2.19 0.00 29 D 8.00 4.49 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.61 3.73 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 0.00 0.00 0.00 31 E 8.46 4.98 0.00 1.76 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 2.23 2.34 0.00 32 T 8.32 5.25 4.36 0.00 0.00 0.00 0.00 0.00 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 33 V 9.53 4.57 2.30 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 1.24 0.00 0.00 0.99 0.00 0.00 34 G 9.16 4.56 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 0.00 0.00 0.00 35 S 8.57 4.15 0.00 4.02 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 36 N 8.18 4.42 0.00 2.21 2.38 0.00 0.00 6.97 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 37 S 7.58 3.75 0.00 3.97 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 38 Y 8.42 5.05 0.00 3.26 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 39 P 0.00 5.60 0.00 2.32 2.50 0.00 4.06 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 40 H 8.85 5.32 0.00 3.26 3.72 0.00 5.47 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 41 K 9.02 4.09 0.00 1.78 1.77 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.32 7.81 42 Y 8.82 4.75 0.00 2.98 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 43 N 8.36 4.11 0.00 1.44 1.93 0.00 0.00 7.13 8.00 0.00 0.00 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 N 5.77 3.61 0.00 3.02 2.73 0.00 0.00 7.69 7.56 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 45 Y 7.10 4.18 0.00 3.05 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 46 E 8.13 3.85 0.00 1.16 1.14 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 2.54 2.35 0.00 47 G 7.67 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.20 0.00 1.77 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 49 D 8.11 4.66 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 4.79 0.00 3.01 2.79 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 51 S 8.74 4.63 0.00 4.04 4.05 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 52 V 7.58 4.61 2.18 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 0.90 0.00 0.00 1.09 0.00 0.00 53 S 8.42 4.57 0.00 3.96 3.90 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 54 S 7.90 3.24 0.00 3.36 3.35 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 0.00 55 P 0.00 4.05 0.00 1.79 2.04 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 56 Y 7.75 4.99 0.00 3.12 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 57 Y 8.50 5.09 0.00 1.93 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.24 4.97 0.00 1.74 1.74 0.00 0.00 0.00 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 59 W 8.61 5.29 0.00 3.67 3.10 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 P 0.00 4.30 0.00 0.64 1.19 0.00 2.20 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.81 4.34 1.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.65 0.25 0.00 0.00 62 L 8.27 4.82 0.00 1.91 1.57 1.03 0.94 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 63 S 8.74 4.57 0.00 3.94 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 0.00 64 S 8.02 4.17 0.00 4.03 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 65 G 8.14 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 66 D 7.46 4.56 0.00 2.75 2.64 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 67 V 8.05 4.13 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 1.08 0.00 0.00 1.03 0.00 0.00 68 Y 8.63 4.18 0.00 2.46 1.85 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 69 S 7.66 4.53 0.00 3.88 3.81 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 0.00 0.00 0.00 70 G 6.27 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 71 G 6.71 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 72 S 8.69 4.28 0.00 3.88 3.85 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 73 P 0.00 4.05 0.00 1.87 1.56 0.00 4.01 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 74 G 7.90 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 75 A 8.35 4.43 1.35 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 0.00 0.00 0.00 76 D 8.03 5.41 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.71 4.81 0.00 1.21 1.43 0.00 3.07 0.00 0.00 2.80 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 78 V 8.60 4.28 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 0.47 0.00 0.00 1.15 0.00 0.00 79 V 8.76 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.17 0.00 0.00 80 F 8.40 5.49 0.00 3.14 3.10 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 81 N 8.61 5.97 0.00 3.15 3.22 0.00 0.00 6.92 7.68 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 82 E 9.20 4.30 0.00 2.11 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 2.55 2.40 0.00 83 N 8.71 4.69 0.00 2.85 2.83 0.00 0.00 6.94 8.80 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 84 N 7.83 3.74 0.00 1.44 2.27 0.00 0.00 7.00 7.24 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 85 Q 8.03 4.55 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 86 L 8.43 4.25 0.00 1.58 1.56 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.83 4.12 0.37 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 0.00 0.00 0.00 88 G 6.12 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.42 4.64 1.76 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 0.78 0.00 0.00 -0.20 0.00 0.00 90 I 8.48 4.96 1.57 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 0.45 0.27 0.33 0.00 0.00 91 T 8.94 5.27 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 1.38 0.00 0.00 92 H 9.47 4.46 0.00 3.18 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.67 3.99 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 1.24 0.00 0.00 94 G 9.13 3.85 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 0.00 0.00 0.00 95 A 7.76 4.72 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.79 0.00 3.66 3.73 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 97 G 8.28 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 4.62 0.00 2.75 2.69 0.00 0.00 6.47 7.99 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 99 N 7.84 5.02 0.00 2.91 2.92 0.00 0.00 6.80 8.13 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 0.00 100 F 9.16 5.37 0.00 3.31 3.06 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 0.00 101 V 9.03 4.98 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 0.89 0.00 0.00 1.13 0.00 0.00 102 E 8.86 4.25 0.00 1.79 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 1.47 2.17 0.00 103 C 8.93 4.97 0.00 3.04 3.29 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 0.00 104 T 8.46 4.20 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.