NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6943 8.1633 120.6142 55.4218 33.9753 173.9550 2 K 4.8896 9.0090 125.6255 53.5365 36.4067 173.5843 3 K 4.7418 9.6224 126.2666 55.5713 34.3984 175.0964 4 V 4.6672 9.0704 127.9933 61.2295 34.0350 173.7482 5 E 5.1053 9.4523 130.4162 54.5734 31.7748 174.1631 6 A 4.9787 9.0957 130.1415 50.2113 21.8207 175.0271 7 I 4.8087 8.8877 124.8417 59.7787 38.8727 174.9855 8 I 4.8051 8.4857 120.5700 58.3162 41.6134 175.3324 9 R 4.0183 8.1040 121.4401 55.4189 30.8215 176.1290 10 P 4.1485 0.0000 0.0000 65.7667 31.3863 178.1408 11 F 4.5520 7.5120 109.4543 58.0903 38.0742 176.1300 12 K 5.1212 7.7661 122.4506 55.9287 32.1820 177.7683 13 L 3.9207 7.6713 122.2439 58.3258 41.9339 178.3635 14 D 4.3810 8.1319 118.2292 56.8011 39.1821 178.2522 15 E 3.9446 8.1612 119.6423 58.9591 29.4354 179.4368 16 V 3.5676 7.9333 118.2953 65.6762 31.5201 177.8964 17 K 3.8844 8.5550 119.7805 59.6590 32.0436 178.7743 18 I 3.6676 7.9976 119.8265 64.2412 36.6246 178.1507 19 A 3.9745 8.1641 121.6919 55.3433 18.2093 179.7507 20 L 3.7931 8.2650 117.7835 57.8482 41.6261 179.6313 21 V 3.6053 8.0573 118.4447 66.2827 31.3180 177.3292 22 N 4.6932 8.0205 112.3670 54.1334 38.3920 175.9464 23 A 4.5999 7.3263 121.4814 51.3253 19.6267 177.8615 24 G 3.7934 8.0011 105.6447 45.6612 0.0000 173.5191 25 I 4.1191 7.7245 120.8218 59.8915 37.6193 175.7094 26 V 4.1880 8.6031 119.3692 60.9211 33.0738 175.5208 27 G 4.0076 10.6151 113.9348 46.1796 0.0000 171.8152 28 M 4.9340 7.9325 118.5009 54.4665 34.0385 173.7652 29 T 4.7117 8.6743 110.4179 59.9256 71.7619 172.9766 30 V 5.1159 8.4100 124.0154 61.2324 34.4534 174.4519 31 S 4.7898 8.9543 120.5522 56.7978 66.9734 172.5440 32 E 4.7925 8.6987 120.5890 56.1155 30.4614 176.1037 33 V 4.6554 8.7325 116.0582 60.1331 37.2010 173.8746 34 R 5.0191 8.7263 119.9708 54.5792 32.4359 175.7960 35 G 4.1513 9.2427 112.0440 44.7459 0.0000 172.7441 36 F 5.2797 9.2765 124.4943 55.2746 41.3244 176.2667 *54 E 4.4166 8.2001 120.0714 55.9132 30.0406 174.6181 55 F 3.3516 8.2290 120.4271 58.1741 40.1548 174.8584 56 L 4.1980 8.0891 128.4812 53.2551 45.5635 174.9893 57 Q 4.7006 8.6976 125.7336 56.3637 29.5366 175.5975 58 K 4.8116 9.2960 122.1828 54.8535 37.6193 174.7685 59 L 5.1994 8.8883 120.6334 52.9530 45.1629 175.8618 60 K 4.8034 9.4462 125.3920 55.0542 34.0856 174.7945 61 I 4.9189 9.0112 129.1389 59.6298 39.7639 174.3997 62 E 5.3070 9.2678 127.3838 54.4910 32.1832 175.2519 63 I 4.9964 8.7318 116.9946 59.1703 41.7895 174.2621 64 V 4.8422 8.4295 123.0430 61.5006 33.5580 174.7842 65 V 4.6233 8.4399 120.3741 59.1532 35.8684 175.2194 66 D 4.8857 9.0227 121.5453 54.0335 41.2020 177.6722 67 E 3.9269 9.1296 122.3477 59.8934 29.5368 179.8390 68 G 3.8083 8.0625 104.0406 46.9734 0.0000 174.1918 69 Q 4.4346 8.2630 119.0492 56.5539 29.8023 177.2583 70 V 3.5322 7.3563 119.1576 66.5755 31.4089 177.3856 71 D 4.3981 8.1179 117.4273 57.7441 40.7732 178.8005 72 M 3.9658 7.9081 117.8251 58.7098 32.3592 178.2452 73 V 3.5943 8.1809 118.8665 65.9331 31.5735 178.1494 74 V 3.5491 8.2270 118.4017 65.9947 31.3937 177.6174 75 D 4.4141 8.1643 121.0833 58.1358 40.7422 179.7322 76 K 4.0294 8.1145 123.9622 59.6503 31.5624 180.9487 77 L 4.1615 8.1643 120.2289 57.7076 41.5589 179.8050 78 V 3.5476 8.0636 118.4637 66.1680 31.2624 178.2136 79 S 4.1204 7.9955 113.4863 61.4623 62.6960 176.3793 80 A 4.1097 7.8803 122.3340 55.0796 18.3617 179.1822 81 A 4.1078 8.0745 117.5532 53.1188 19.1698 178.1167 82 R 4.2840 7.3682 117.8675 56.5608 30.7216 176.2198 83 T 4.4832 9.6209 112.0373 60.6519 70.4656 175.2000 84 G 3.9937 8.9080 109.3262 44.9787 0.0000 173.1889 85 E 4.4584 7.9348 119.4269 54.7616 30.8092 175.9118 86 I 3.7835 8.0621 122.5560 63.2443 36.3358 176.4095 87 G 4.0859 8.9841 112.7020 45.6611 0.0000 174.9669 88 D 4.2052 7.3498 120.6025 55.2853 41.0264 175.7987 89 G 4.2187 7.6676 103.0178 44.8731 0.0000 172.2915 90 K 4.6023 8.0254 115.5706 54.7414 37.0977 175.6491 91 I 4.7165 7.8200 121.2094 59.6667 40.3789 174.8286 92 F 5.1765 9.1898 126.3315 55.8425 41.3495 174.6982 93 I 5.1399 8.6007 124.3405 59.6340 39.0327 175.0188 94 S 4.9333 9.0558 121.2104 55.5790 66.9462 171.6268 95 P 4.7860 0.0000 0.0000 62.8081 32.2556 175.7652 96 V 4.3296 8.1112 121.0563 61.5295 33.4028 175.1849 97 D 4.4982 9.0975 128.4657 57.2175 41.0236 176.1579 98 S 4.8382 7.4470 109.7658 57.3675 66.2009 173.6107 99 V 4.4396 8.8315 120.0704 61.0302 34.4558 174.1213 100 V 4.7561 8.4984 129.6634 61.5896 33.6774 175.5658 101 R 4.1500 8.8316 129.5027 56.6910 29.7829 174.0231 102 I 3.6161 8.6550 126.0627 63.6404 37.4389 177.3937 103 R 4.0185 8.1287 118.8441 59.5783 29.8358 177.3737 104 T 4.0794 7.8579 105.8723 62.0198 69.5360 175.8250 105 G 3.8403 8.5160 111.9397 45.5830 0.0000 173.5470 106 E 4.1145 7.9336 119.1803 56.2932 30.6791 180.2776 107 K 4.7698 8.6637 127.0547 54.3502 33.5692 175.1062 108 D 5.1487 9.5775 128.4570 52.7026 43.1931 175.4620 109 T 4.9257 8.5397 112.9570 59.7907 71.8624 173.0695 110 E 4.5190 8.6917 123.0095 54.5004 32.3544 174.2807 111 A 4.7406 8.2815 127.1671 51.2510 22.6655 175.6944 112 I 4.2016 7.9518 118.7725 61.9003 38.3266 175.6279 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 1 M 8.16 4.69 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 K 9.01 4.89 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.61 7.81 3 K 9.62 4.74 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.33 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 4 V 9.07 4.67 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 0.88 0.00 0.00 0.94 0.00 0.00 5 E 9.45 5.11 0.00 2.20 1.94 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 2.26 2.45 0.00 6 A 9.10 4.98 1.16 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 0.00 0.00 0.00 7 I 8.89 4.81 1.74 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 1.08 1.23 0.89 0.00 0.00 8 I 8.49 4.81 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.83 0.00 0.00 9 R 8.10 4.02 0.00 1.09 0.72 0.00 2.96 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 10 P 0.00 4.15 0.00 2.17 2.10 0.00 3.35 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 11 F 7.51 4.55 0.00 3.06 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 12 K 7.77 5.12 0.00 1.80 1.81 0.00 1.95 0.00 0.00 2.07 0.00 0.00 3.19 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.13 1.49 7.81 13 L 7.67 3.92 0.00 1.95 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.13 4.38 0.00 3.00 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 15 E 8.16 3.94 0.00 2.21 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 0.00 2.43 2.40 0.00 16 V 7.93 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 1.06 0.00 0.00 0.92 0.00 0.00 17 K 8.56 3.88 0.00 1.89 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 8.00 3.67 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.91 0.00 0.00 19 A 8.16 3.97 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 20 L 8.27 3.79 0.00 1.81 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.06 3.61 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 1.03 0.00 0.00 0.99 0.00 0.00 22 N 8.02 4.69 0.00 2.76 2.84 0.00 0.00 7.04 7.37 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 23 A 7.33 4.60 1.37 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 24 G 8.00 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 25 I 7.72 4.12 2.00 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 0.89 0.91 0.00 0.00 26 V 8.60 4.19 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 10.62 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 0.00 0.00 0.00 0.00 28 M 7.93 4.93 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 29 T 8.67 4.71 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 1.22 0.00 0.00 30 V 8.41 5.12 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 0.86 0.00 0.00 0.93 0.00 0.00 31 S 8.95 4.79 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 32 E 8.70 4.79 0.00 1.89 1.94 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 2.30 2.34 0.00 33 V 8.73 4.66 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 0.78 0.00 0.00 0.96 0.00 0.00 34 R 8.73 5.02 0.00 1.84 1.92 0.00 2.66 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 35 G 9.24 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 0.00 0.00 0.00 36 F 9.28 5.28 0.00 3.02 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 *54 E 8.20 4.42 0.00 2.27 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 0.00 2.16 2.28 0.00 55 F 8.23 3.35 0.00 1.80 2.48 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 56 L 8.09 4.20 0.00 1.56 1.32 0.72 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.70 4.70 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 58 K 9.30 4.81 0.00 1.60 1.68 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.52 7.81 59 L 8.89 5.20 0.00 1.47 1.49 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.45 4.80 0.00 1.81 1.80 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 I 9.01 4.92 1.85 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 1.21 0.47 0.90 0.00 0.00 62 E 9.27 5.31 0.00 1.84 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 2.23 2.37 0.00 63 I 8.73 5.00 1.87 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 1.25 1.06 0.96 0.00 0.00 64 V 8.43 4.84 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 0.89 0.00 0.00 0.94 0.00 0.00 65 V 8.44 4.62 2.23 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 0.72 0.00 0.00 0.94 0.00 0.00 66 D 9.02 4.89 0.00 2.81 2.75 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 0.00 0.00 0.00 67 E 9.13 3.93 0.00 2.05 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 0.00 2.34 2.41 0.00 68 G 8.06 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 69 Q 8.26 4.43 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 70 V 7.36 3.53 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 1.08 0.00 0.00 0.98 0.00 0.00 71 D 8.12 4.40 0.00 2.80 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 72 M 7.91 3.97 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 73 V 8.18 3.59 2.23 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 1.01 0.00 0.00 0.98 0.00 0.00 74 V 8.23 3.55 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 1.06 0.00 0.00 0.94 0.00 0.00 75 D 8.16 4.41 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.03 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 77 L 8.16 4.16 0.00 1.91 1.71 0.90 0.94 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 78 V 8.06 3.55 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 1.02 0.00 0.00 0.94 0.00 0.00 79 S 8.00 4.12 0.00 4.03 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 80 A 7.88 4.11 1.37 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 81 A 8.07 4.11 1.27 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 0.00 0.00 82 R 7.37 4.28 0.00 1.84 1.91 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 83 T 9.62 4.48 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 1.35 0.00 0.00 84 G 8.91 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 85 E 7.93 4.46 0.00 2.05 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 2.30 2.43 0.00 86 I 8.06 3.78 1.87 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 1.35 0.47 0.91 0.00 0.00 87 G 8.98 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.35 4.21 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 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 0.00 0.00 0.00 0.00 90 K 8.03 4.60 0.00 1.01 1.04 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 91 I 7.82 4.72 1.78 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 1.24 0.48 0.90 0.00 0.00 92 F 9.19 5.18 0.00 2.94 2.83 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 93 I 8.60 5.14 1.92 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 1.43 0.63 0.94 0.00 0.00 94 S 9.06 4.93 0.00 3.83 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 95 P 0.00 4.79 0.00 2.10 2.09 0.00 3.71 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 1.98 1.96 0.00 96 V 8.11 4.33 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 0.85 0.00 0.00 0.96 0.00 0.00 97 D 9.10 4.50 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 98 S 7.45 4.84 0.00 3.91 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 99 V 8.83 4.44 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 0.93 0.00 0.00 0.93 0.00 0.00 100 V 8.50 4.76 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 0.83 0.00 0.00 0.93 0.00 0.00 101 R 8.83 4.15 0.00 1.55 1.81 0.00 3.33 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 102 I 8.65 3.62 1.87 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 1.30 0.94 0.91 0.00 0.00 103 R 8.13 4.02 0.00 1.76 1.97 0.00 3.23 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.86 4.08 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 0.00 105 G 8.52 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 0.00 106 E 7.93 4.11 0.00 1.63 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 2.24 2.13 0.00 107 K 8.66 4.77 0.00 1.75 1.74 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 108 D 9.58 5.15 0.00 2.58 2.54 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 0.00 109 T 8.54 4.93 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 0.00 110 E 8.69 4.52 0.00 1.88 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 2.18 2.28 0.00 111 A 8.28 4.74 1.20 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 0.00 0.00 112 I 7.95 4.20 1.87 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 1.28 0.65 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.