NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.5467 8.3716 117.8889 52.9489 40.5026 173.0721 3 L 4.0302 8.3598 121.7357 53.0298 42.3657 174.2004 4 P 4.6159 0.0000 0.0000 62.3132 33.1709 176.3026 5 T 4.1307 8.7443 112.4502 61.1147 70.8455 175.4318 6 A 3.9891 8.4592 122.2983 55.5748 18.2711 179.7553 7 Q 3.9402 8.0176 115.8839 59.2461 28.7249 178.8938 8 E 3.9026 7.9936 119.4047 59.1151 29.3586 179.4950 9 V 3.0999 7.9575 118.7761 65.9247 31.5836 177.9953 10 Q 4.0764 8.1176 117.8684 58.9844 28.5263 179.3103 11 G 3.5482 7.9665 106.5709 47.7347 0.0000 175.8468 12 L 3.9650 8.0272 121.9857 57.8444 41.7343 179.6193 13 M 4.1599 8.4705 118.8033 58.1849 31.8681 178.6853 14 A 4.0371 8.1933 121.1898 55.0040 18.4639 179.6834 15 R 3.8085 8.1567 117.4327 59.5722 30.0873 177.8446 16 Y 4.0310 8.3091 119.7146 61.0538 38.6643 178.4479 17 I 3.4077 7.7323 120.1275 64.3357 37.1494 178.1716 18 E 3.9252 8.1623 119.3995 59.4804 29.2351 179.5085 19 L 3.9397 7.9655 119.0230 57.4556 41.4728 179.5747 20 V 3.3725 7.3416 117.6841 65.9334 31.4943 177.2162 21 D 4.4131 8.1009 117.0690 57.2757 41.1177 178.1201 22 V 3.9588 7.6925 111.4500 61.4605 31.9027 176.6740 23 G 3.7238 8.0485 106.2554 46.6446 0.0000 174.5534 24 D 4.5695 7.7588 120.4788 52.3934 40.0683 175.3509 25 I 3.6377 7.9386 126.4562 64.1322 37.4475 177.5271 26 E 3.9624 8.2179 118.6037 59.2185 29.0998 179.1132 27 A 4.0431 8.1218 120.3073 54.9125 18.7391 179.4510 28 I 3.7373 7.8609 118.5378 64.6313 37.2034 178.8584 29 V 3.8244 8.0498 119.2344 66.0599 31.1066 177.7874 30 Q 4.1002 8.0508 118.4904 59.2087 29.1462 177.8658 31 M 4.2074 8.1818 119.5379 56.8970 31.9744 175.9077 32 Y 4.5746 7.3232 116.1277 56.4492 39.5423 175.3632 33 A 4.3007 8.7352 126.2628 51.9050 19.3661 178.6684 34 D 4.4897 8.8661 119.6960 55.7024 39.4309 177.5704 35 D 4.6871 7.7983 117.6315 52.4975 40.0361 175.8983 36 A 4.5438 7.8329 121.4114 53.2082 19.9735 177.3659 37 T 5.0407 8.6380 109.1338 59.8130 72.2032 173.1399 38 V 4.8099 8.4702 123.2610 61.1673 34.7558 173.9090 39 E 4.6554 9.2887 127.9194 54.9415 31.5331 175.2146 40 N 5.0920 8.2696 124.9485 51.7705 40.7936 171.9441 41 P 4.4389 0.0000 0.0000 61.6876 33.0270 175.4818 42 F 4.0078 9.5185 124.4053 60.0745 39.1664 175.2032 43 G 3.6234 7.7977 112.4033 45.2369 0.0000 173.4784 44 Q 4.4881 6.9661 117.6185 52.9227 31.0327 173.7681 45 P 4.2351 0.0000 0.0000 62.2857 31.9100 174.7809 46 P 4.7263 0.0000 0.0000 62.7020 32.5512 175.4392 47 I 4.5285 8.4289 115.1189 59.8727 40.2830 173.8624 48 H 5.0698 9.0652 123.1811 55.6397 32.4072 174.2640 49 G 4.0791 9.0758 110.4997 45.9519 0.0000 174.5033 50 R 3.8607 8.4259 119.2458 58.9344 29.9452 179.3478 51 E 3.9396 8.0769 118.7205 59.5017 29.7033 178.8072 52 Q 4.0610 7.9948 117.6082 58.8207 28.8396 178.5173 53 I 3.6274 8.0481 120.9830 64.2468 37.1182 178.0772 54 A 4.1428 8.5390 121.8339 55.3517 18.1706 179.5453 55 A 3.9770 8.1289 119.0725 55.1445 18.3856 179.4045 56 F 3.9713 8.4925 119.4083 61.9754 39.3807 177.1152 57 Y 3.8430 8.2607 116.1319 60.8689 37.4111 178.3512 58 R 3.8206 8.3709 119.5030 59.2810 30.2079 178.2186 59 Q 4.1269 7.8665 118.7337 59.1760 29.2362 177.9942 60 G 3.4784 7.7630 105.5184 45.6861 0.0000 173.6579 61 L 4.5577 7.8418 120.6266 52.2356 44.0501 175.8814 *65 K 4.0329 8.4474 123.2366 56.2052 32.9736 174.7782 66 V 4.7566 8.2113 124.8116 61.2279 34.8535 174.4501 67 R 5.0457 8.9872 124.7080 54.4945 33.8429 174.5653 68 A 5.2929 9.4471 123.0063 50.7960 22.4706 175.5331 69 C 4.8851 9.1944 118.8454 57.5674 32.5822 173.8825 70 L 4.6453 8.8589 123.4673 55.0742 41.9188 177.0580 71 T 4.5078 8.4648 112.1001 60.5649 69.0658 173.4979 72 G 3.9675 7.3823 109.8198 44.9001 0.0000 171.5072 73 P 4.4287 0.0000 0.0000 62.1479 31.8672 176.3297 74 V 3.8806 8.2197 120.2921 63.3167 32.4454 175.2441 75 R 4.6140 9.2756 127.2243 54.7572 31.5609 175.1713 76 A 5.2329 8.6297 125.6986 50.1748 22.1087 175.2464 77 S 4.5736 8.6251 115.0138 56.8441 65.9446 173.7323 78 H 4.9394 8.5259 114.6110 55.7461 28.4910 174.9847 79 N 5.0070 7.9739 116.4357 52.7682 37.6907 174.5916 80 G 3.9479 8.5528 104.1145 47.8127 0.0000 173.3116 81 C 5.5074 7.8203 115.3668 57.9880 32.6487 173.0891 82 G 4.6227 8.9315 106.5614 45.6127 0.0000 171.6840 83 A 5.5407 9.2956 121.4200 50.4803 23.0352 175.1791 84 M 5.2186 9.2097 117.0472 53.3490 35.2702 171.8998 85 P 5.5493 0.0000 0.0000 61.7206 34.1959 174.0024 86 F 5.4801 8.8008 116.5164 56.2032 42.1657 172.4686 87 R 4.9385 9.2966 119.0671 54.4638 33.2922 173.8612 88 V 4.9419 8.6910 125.8065 61.2045 34.1864 173.8555 89 E 5.2476 9.3381 127.7518 54.9096 32.3491 175.1262 90 M 5.3887 8.9656 120.7255 54.1794 35.7120 173.2749 91 V 4.8462 8.3783 117.9111 60.8889 34.0066 174.5564 92 W 4.8214 9.4146 135.0000 56.6024 32.8857 174.8062 93 N 3.8880 9.8915 124.9269 54.9889 35.2024 174.2870 94 G 3.9004 7.8145 100.7528 46.1467 0.0000 171.6799 95 Q 4.4890 7.9093 119.9004 52.9503 29.7748 173.3232 96 P 4.9597 0.0000 0.0000 63.4440 31.9630 175.2097 97 C 5.1835 9.6460 116.8970 56.7301 34.0702 172.2827 98 A 5.1653 9.2270 120.0178 50.0456 22.5803 174.7789 99 L 5.0100 8.8435 122.0630 53.2914 45.2812 174.8871 100 D 5.0776 8.6595 126.4119 53.1245 42.0551 176.1878 101 V 4.6628 8.4381 122.7862 61.0294 35.7848 173.9066 102 I 5.0934 8.6553 126.1504 59.7600 40.0772 174.1654 103 D 5.6090 9.2752 126.9824 52.7733 43.4913 175.4637 104 V 4.8573 9.0988 122.7342 61.4168 34.2817 174.1237 105 M 5.0168 9.0522 127.0309 53.3925 35.5039 174.3638 106 R 4.8918 8.6599 123.7251 54.7002 32.2891 174.8652 107 F 5.1515 9.3069 125.8717 56.3724 41.2552 175.4783 108 D 4.9781 8.8879 122.2771 51.8134 41.9994 176.8138 109 E 3.9789 8.8001 115.0382 59.2309 29.5362 177.6794 110 H 4.6691 8.6893 115.7238 55.3114 28.9823 175.4132 111 G 3.8920 8.3496 107.5508 46.1810 0.0000 173.8900 112 R 4.7942 7.9903 117.5407 53.9924 32.4336 175.5178 113 I 3.6281 8.4412 122.2447 61.4480 37.4456 176.7000 114 Q 4.1686 9.1626 129.9995 58.5417 30.3661 175.7728 115 T 5.2573 7.5305 113.6977 62.0165 73.5698 172.6428 116 M 5.0724 9.0121 124.5071 53.8733 35.5512 173.9007 117 Q 5.1441 9.2264 125.0898 54.0466 31.7656 174.2005 118 A 5.3850 8.9352 126.3609 50.5875 21.6656 174.8387 119 Y 4.7987 9.2893 121.8758 56.6438 39.4887 175.1368 120 W 4.8712 8.1402 120.4073 56.8891 30.5400 173.8217 121 S 4.4127 8.7452 114.3409 57.3206 65.5353 174.3020 122 E 4.3210 8.8713 118.0859 59.6758 29.3000 179.6895 123 V 3.7022 7.9780 111.1723 64.0097 31.8553 176.2459 124 N 4.8716 8.6868 116.1015 52.9090 39.6291 174.2327 125 L 4.9761 7.9120 121.9558 53.9296 43.8107 175.8979 126 S 4.8242 9.2557 121.8287 56.6628 66.2146 174.8072 127 V 4.0156 8.5073 123.3654 61.7548 31.5083 175.7033 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 8.37 5.55 0.00 2.62 2.86 0.00 0.00 6.88 6.97 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 3 L 8.36 4.03 0.00 1.66 1.57 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.62 0.00 2.03 1.76 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.37 0.00 5 T 8.74 4.13 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 6 A 8.46 3.99 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 7 Q 8.02 3.94 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.99 3.90 0.00 2.16 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 2.26 2.25 0.00 9 V 7.96 3.10 2.13 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 1.19 0.00 0.00 0.76 0.00 0.00 10 Q 8.12 4.08 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 11 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.96 0.00 1.39 1.62 0.29 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.47 4.16 0.00 2.09 2.15 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 2.93 2.78 0.00 14 A 8.19 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.81 0.00 1.95 2.15 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 16 Y 8.31 4.03 0.00 3.07 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 17 I 7.73 3.41 1.96 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.70 0.85 0.00 0.00 18 E 8.16 3.93 0.00 2.12 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 0.00 2.47 2.48 0.00 19 L 7.97 3.94 0.00 1.58 1.55 0.87 0.59 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 20 V 7.34 3.37 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 0.77 0.00 0.00 0.20 0.00 0.00 21 D 8.10 4.41 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 22 V 7.69 3.96 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 0.76 0.00 0.00 0.96 0.00 0.00 23 G 8.05 3.72 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 0.00 0.00 0.00 24 D 7.76 4.57 0.00 2.68 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 25 I 7.94 3.64 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.64 0.97 0.00 0.00 26 E 8.22 3.96 0.00 2.01 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 2.41 2.38 0.00 27 A 8.12 4.04 1.34 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 0.00 0.00 0.00 28 I 7.86 3.74 1.74 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.22 0.00 0.00 29 V 8.05 3.82 2.13 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 1.11 0.00 0.00 1.08 0.00 0.00 30 Q 8.05 4.10 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.18 4.21 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 32 Y 7.32 4.57 0.00 3.20 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 33 A 8.74 4.30 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 34 D 8.87 4.49 0.00 2.86 2.98 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 0.00 0.00 0.00 0.00 35 D 7.80 4.69 0.00 2.84 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 36 A 7.83 4.54 1.57 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 0.00 0.00 37 T 8.64 5.04 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 1.28 0.00 0.00 38 V 8.47 4.81 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 0.67 0.00 0.00 0.73 0.00 0.00 39 E 9.29 4.66 0.00 2.05 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 2.12 2.17 0.00 40 N 8.27 5.09 0.00 2.63 2.42 0.00 0.00 7.27 7.69 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 41 P 0.00 4.44 0.00 1.32 0.49 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 0.00 42 F 9.52 4.01 0.00 2.42 2.47 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 0.00 43 G 7.80 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 44 Q 6.97 4.49 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 45 P 0.00 4.24 0.00 1.96 1.92 0.00 3.57 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 1.96 2.00 0.00 46 P 0.00 4.73 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 47 I 8.43 4.53 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.65 0.80 0.00 0.00 48 H 9.07 5.07 0.00 3.09 3.17 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.08 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 3.86 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 51 E 8.08 3.94 0.00 2.04 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 0.00 2.39 2.42 0.00 52 Q 7.99 4.06 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 8.05 3.63 1.86 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.65 0.00 0.00 54 A 8.54 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.13 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.49 3.97 0.00 3.08 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 57 Y 8.26 3.84 0.00 3.16 2.99 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 58 R 8.37 3.82 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 59 Q 7.87 4.13 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 60 G 7.76 3.48 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 0.00 0.00 0.00 0.00 61 L 7.84 4.56 0.00 1.63 1.57 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.45 4.03 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 8.21 4.76 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 0.88 0.00 0.00 0.92 0.00 0.00 67 R 8.99 5.05 0.00 1.77 1.78 0.00 3.14 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 1.53 1.54 0.00 68 A 9.45 5.29 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 69 C 9.19 4.89 0.00 2.90 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 70 L 8.86 4.65 0.00 1.58 1.84 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.46 4.51 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 1.32 0.00 0.00 72 G 7.38 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 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.22 3.88 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 0.82 0.00 0.00 0.96 0.00 0.00 75 R 9.28 4.61 0.00 1.93 1.83 0.00 3.27 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 76 A 8.63 5.23 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 77 S 8.63 4.57 0.00 3.84 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 78 H 8.53 4.94 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.97 5.01 0.00 2.79 2.85 0.00 0.00 6.85 6.53 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 80 G 8.55 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 81 C 7.82 5.51 0.00 2.87 2.81 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 82 G 8.93 4.62 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 83 A 9.30 5.54 1.19 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 0.00 0.00 84 M 9.21 5.22 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 85 P 0.00 5.55 0.00 2.17 2.24 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.80 5.48 0.00 3.28 3.18 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 87 R 9.30 4.94 0.00 1.85 1.79 0.00 3.06 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 88 V 8.69 4.94 2.00 0.00 0.00 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 0.00 0.00 1.15 0.00 0.00 89 E 9.34 5.25 0.00 1.89 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 2.22 2.22 0.00 90 M 8.97 5.39 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 91 V 8.38 4.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 92 W 9.41 4.82 0.00 3.24 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 93 N 9.89 3.89 0.00 2.27 2.52 0.00 0.00 7.18 7.65 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 94 G 7.81 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 95 Q 7.91 4.49 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 96 P 0.00 4.96 0.00 2.09 2.08 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 97 C 9.65 5.18 0.00 3.08 3.15 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 98 A 9.23 5.17 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 99 L 8.84 5.01 0.00 1.38 1.17 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.66 5.08 0.00 2.58 2.53 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 0.00 101 V 8.44 4.66 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 1.18 0.00 0.00 0.51 0.00 0.00 102 I 8.66 5.09 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.95 0.00 0.00 103 D 9.28 5.61 0.00 2.86 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 0.00 104 V 9.10 4.86 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 1.00 0.00 0.00 105 M 9.05 5.02 0.00 1.15 1.74 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 106 R 8.66 4.89 0.00 1.81 1.69 0.00 3.08 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 107 F 9.31 5.15 0.00 2.96 2.96 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 0.00 108 D 8.89 4.98 0.00 2.76 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 0.00 109 E 8.80 3.98 0.00 2.03 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 0.00 1.87 2.13 0.00 110 H 8.69 4.67 0.00 3.23 3.38 0.00 5.90 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 0.00 111 G 8.35 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 0.00 0.00 0.00 112 R 7.99 4.79 0.00 2.23 1.93 0.00 3.19 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 113 I 8.44 3.63 1.08 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.32 0.53 0.00 0.00 114 Q 9.16 4.17 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 115 T 7.53 5.26 4.21 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 0.00 0.00 1.22 0.00 0.00 116 M 9.01 5.07 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 117 Q 9.23 5.14 0.00 1.95 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 118 A 8.94 5.39 1.59 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 0.00 0.00 119 Y 9.29 4.80 0.00 3.09 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 0.00 120 W 8.14 4.87 0.00 3.36 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 0.00 121 S 8.75 4.41 0.00 3.93 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 0.00 122 E 8.87 4.32 0.00 2.15 2.12 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 2.46 2.53 0.00 123 V 7.98 3.70 2.12 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 0.74 0.00 0.00 0.99 0.00 0.00 124 N 8.69 4.87 0.00 2.99 3.01 0.00 0.00 6.40 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.91 4.98 0.00 1.64 1.73 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.26 4.82 0.00 3.73 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 0.00 127 V 8.51 4.02 2.24 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 0.76 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.