NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2937 8.3344 115.4115 57.7440 64.2541 172.9634 2 M 3.8550 8.5508 121.1232 56.0814 31.5271 174.3060 3 Q 4.5397 8.6885 124.1611 55.5427 31.4365 176.2535 4 D 4.5282 7.5294 117.7024 51.4076 42.5349 172.9430 5 P 4.0543 0.0000 0.0000 65.4082 31.6894 178.3390 6 I 3.6269 7.8430 118.9618 64.2255 36.9652 177.9225 7 A 3.9514 8.1891 121.5125 55.1392 18.1495 179.1265 8 D 4.7232 7.5771 117.5468 57.0603 41.1397 178.0865 9 M 3.9422 7.8121 118.1129 58.7294 32.2873 178.1504 10 L 3.9332 7.7151 118.8792 57.9618 41.8020 179.6415 11 T 3.8376 8.1517 109.9813 64.9948 68.6606 176.4982 12 R 3.9220 8.4024 121.4445 58.9962 30.0501 179.2041 13 I 3.6954 7.5441 119.3546 64.2657 37.0795 178.3189 14 R 3.8350 7.8929 119.5060 59.7297 29.7974 178.3826 15 N 4.5013 8.4858 116.3208 55.8158 38.4402 177.8776 16 G 3.5813 7.9547 107.3493 48.1039 0.0000 175.8551 17 Q 4.1534 8.7226 121.4442 58.4037 28.3964 179.2033 18 A 4.0781 7.7179 121.2206 54.6135 18.5249 178.5379 19 A 4.3717 7.5572 116.2998 51.1578 19.2023 176.7313 20 N 4.5322 7.8140 113.5827 53.4564 36.7449 174.9958 21 K 4.1528 8.1167 116.8832 56.0473 32.9452 177.2720 22 A 4.2716 8.9369 126.5948 55.2887 19.0693 175.1993 23 A 4.9584 7.1860 119.0057 51.5464 23.3857 176.3019 24 V 4.1236 7.9739 109.2349 62.4733 35.0515 172.7456 25 T 5.3325 8.6968 121.9856 61.4661 71.1822 173.2009 26 M 4.3343 7.9110 118.6130 53.9884 34.0292 172.2703 27 P 4.6511 0.0000 0.0000 62.9652 31.4566 175.8899 28 S 4.4590 9.0323 121.0618 58.3287 63.5405 173.4160 29 S 4.5967 8.7449 113.2337 56.5596 65.0723 177.4388 30 K 3.8988 7.4317 121.2444 59.4135 32.3829 177.6264 31 L 3.8996 7.9418 119.5369 58.4036 42.1772 179.4163 32 K 3.8069 7.5424 116.9760 59.6514 31.9694 179.2044 33 V 3.3093 7.7784 117.7978 65.9828 31.6603 177.5288 34 A 3.9463 8.0436 120.3561 55.7236 17.9915 179.7672 35 I 3.7020 7.8761 117.6465 64.2978 37.1192 178.4490 36 A 3.7545 7.6584 121.6818 54.9004 18.0105 179.1611 37 N 4.2841 7.9011 115.1024 56.7779 38.8550 177.4798 38 V 3.6619 7.2954 118.2464 66.3226 31.5307 178.0752 39 L 4.2958 7.6851 118.3761 57.4056 41.3071 179.5338 40 K 4.0448 8.2080 119.8041 59.5839 32.1889 178.4939 41 E 4.2695 8.5246 115.8601 57.7056 29.3861 177.7019 42 E 4.5354 7.5757 116.7200 54.9322 30.6603 176.1277 43 G 3.7785 7.9687 107.0406 46.5112 0.0000 174.9669 44 F 4.6241 8.1458 120.4516 58.1368 39.6406 176.2225 45 I 4.5874 7.4195 111.9600 59.0088 40.0765 175.2755 46 E 4.1501 8.8515 123.6870 58.8289 29.3660 177.2008 47 D 4.8659 9.1427 117.0010 54.2179 45.5466 172.9281 48 F 5.3781 7.9488 112.3135 55.9750 40.9119 173.7605 49 K 4.5965 9.2085 122.1925 54.9590 36.0665 175.1954 50 V 4.4903 8.4576 127.0539 60.5405 32.3527 174.9046 51 E 4.2602 8.9279 131.4746 56.2192 32.5135 174.3950 52 G 4.6846 8.7794 107.8961 45.9698 0.0000 172.4560 53 D 4.6344 8.7396 119.2306 55.5670 42.4116 177.2076 54 T 4.4768 7.7955 108.8559 61.7662 68.6479 174.4153 55 K 4.4703 7.4413 119.6721 54.2686 33.5173 171.4416 56 P 5.4134 0.0000 0.0000 62.3609 32.7308 175.1596 57 E 5.0102 8.8276 124.5871 54.3150 32.0548 174.7274 58 L 4.7221 9.3846 128.6370 53.9956 43.6076 175.0543 59 E 4.4918 9.7487 130.2226 55.3391 30.5098 174.8599 60 L 5.0196 9.1386 131.6847 53.3091 43.5642 175.2654 61 T 4.3406 8.5482 117.6378 61.2776 69.4516 174.4238 62 L 4.5034 8.1530 125.6508 54.7512 42.8772 176.6532 63 K 4.8443 8.1138 120.0372 55.1247 36.0756 174.6263 64 Y 5.1985 8.5276 122.2098 56.4586 43.3311 172.6923 65 F 5.0192 8.8190 128.1362 58.8030 38.5582 178.8580 66 Q 4.4817 8.9798 122.1685 55.4281 27.8086 177.6541 67 G 3.9511 8.5883 113.3144 45.2700 0.0000 171.9375 68 K 4.2549 7.3447 117.4679 55.7100 35.2357 173.3400 69 A 4.6903 8.5272 125.1280 51.0963 19.8104 178.2541 70 V 3.6090 8.0484 119.9779 66.0549 31.6151 177.6599 71 V 3.8261 7.8734 124.4543 62.5348 29.9792 174.9626 72 E 4.3517 8.0860 124.6326 57.0264 30.6311 176.8015 73 S 4.4668 8.0689 115.4054 57.1426 66.1231 173.0875 74 I 5.1325 8.0357 127.8167 60.8950 40.1238 173.4673 75 Q 4.5985 8.4372 128.0746 53.6142 32.9085 175.1646 76 R 3.9378 8.6092 122.8808 57.0212 30.5398 174.2654 77 V 3.9391 8.3684 120.3042 63.5640 32.8830 176.3968 78 S 4.2711 7.1900 117.1200 57.3933 61.2036 173.8548 79 R 4.0781 7.2350 118.2381 54.9301 30.6068 174.7514 80 P 4.3403 0.0000 0.0000 62.8759 31.9824 176.5097 81 G 4.0030 8.5486 103.3166 45.3754 0.0000 173.9128 82 L 5.1813 6.6924 123.9642 55.2256 44.5139 173.7070 83 R 4.1824 7.7038 119.8447 55.7342 31.1268 176.3229 84 I 4.5288 8.2916 120.8134 59.7044 40.8092 174.2151 85 Y 5.0331 8.5770 123.1717 56.2782 41.5334 174.7615 86 K 4.7535 8.8107 122.1432 54.7289 36.4426 175.3681 87 R 4.7576 8.2632 119.8854 54.4338 32.1757 177.9552 88 K 3.8318 8.8461 120.1751 60.1560 32.3335 177.3549 89 D 4.8448 7.9841 116.1772 53.0740 39.3833 176.1008 90 E 4.7414 8.5839 117.5777 56.5044 31.2297 175.2954 91 L 4.3027 8.0075 119.1846 53.4552 42.4811 175.4282 92 P 4.3110 0.0000 0.0000 62.5369 31.9681 176.2966 93 K 4.2957 8.0253 119.4653 54.2823 33.1656 176.1349 94 V 3.3294 7.9729 124.6180 64.0132 32.5798 175.6953 95 M 3.0498 9.3621 125.8969 57.3738 30.4266 176.5285 96 A 3.9138 9.1404 114.7036 53.1058 16.7359 177.6253 97 G 4.1091 8.1800 109.2463 47.3066 0.0000 177.0532 98 L 3.6733 8.1488 119.1671 56.4081 41.6951 176.7915 99 G 4.2498 7.3020 106.6715 43.4830 0.0000 171.7516 100 I 4.9143 8.5217 111.6186 58.9468 41.5364 174.9201 101 A 4.9590 9.1494 123.5401 48.7542 21.6092 175.4683 102 V 3.6946 8.5098 121.7173 64.5154 32.7596 174.9111 103 V 4.6390 9.1277 127.8789 61.2348 34.4792 174.3893 104 S 4.9741 9.0937 123.8817 57.5698 62.5081 173.3753 105 T 4.4171 8.6882 118.4288 59.8368 70.9199 175.8501 106 S 4.2275 8.7858 115.5003 60.2776 62.3829 174.4342 107 K 4.2287 8.2452 117.8386 56.2709 32.6429 175.3160 108 G 3.7692 7.4718 105.5095 43.2328 0.0000 172.6638 109 V 4.4886 8.0785 120.8543 62.3044 31.6574 175.0426 110 M 5.0905 8.9525 125.5114 53.1760 35.3169 174.8424 111 T 4.4537 8.3549 109.0574 61.3842 70.3285 175.1796 112 D 4.3632 8.6621 124.4177 57.0486 38.9817 178.8622 113 R 3.8371 8.1127 118.4819 58.9470 30.2185 177.7352 114 A 4.0875 7.8573 119.4753 55.1741 18.5589 179.2595 115 A 3.9459 8.1767 119.1760 55.5176 18.2678 179.7153 116 R 3.8858 8.3906 116.0381 59.5096 30.3554 178.0339 117 Q 4.2855 8.1187 117.1268 57.7780 28.9371 177.2540 118 A 4.2513 7.6549 117.9118 51.7829 18.4818 177.1656 119 G 3.9879 8.0331 105.8155 46.0113 0.0000 173.8309 120 L 4.6750 7.8200 116.5604 54.0882 43.7286 175.2206 121 G 4.1272 8.2119 107.7189 44.9754 0.0000 171.3636 122 G 4.1631 7.6212 103.6235 45.9213 0.0000 171.6994 123 E 4.8052 7.9711 121.1236 54.8845 30.4510 177.2516 124 I 4.3285 8.2780 127.8391 62.1390 37.9458 175.4539 125 I 4.5306 8.1592 119.5250 62.6583 42.3605 175.2385 126 C 4.7300 7.1188 114.0278 58.0689 32.6873 172.2378 127 Y 5.1424 7.8970 116.0066 56.4971 40.3072 175.4586 128 V 4.2167 8.4422 125.6566 61.1056 31.7943 175.6329 129 A 4.5095 8.6231 129.8095 52.0072 19.2449 176.0787 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 S 8.33 4.29 0.00 3.99 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 2 M 8.55 3.86 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.69 4.54 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.57 0.00 4 D 7.53 4.53 0.00 2.66 2.46 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 5 P 0.00 4.05 0.00 2.28 2.28 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.84 3.63 1.97 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 1.54 1.34 0.84 0.00 0.00 7 A 8.19 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.72 0.00 2.67 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 9 M 7.81 3.94 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 10 L 7.72 3.93 0.00 1.83 1.63 0.84 0.39 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 11 T 8.15 3.84 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 1.24 0.00 0.00 12 R 8.40 3.92 0.00 2.02 2.03 0.00 3.43 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 1.85 0.00 13 I 7.54 3.70 1.92 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 1.38 0.86 0.86 0.00 0.00 14 R 7.89 3.83 0.00 1.85 1.89 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 15 N 8.49 4.50 0.00 2.83 2.85 0.00 0.00 6.97 7.30 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 16 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.15 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 18 A 7.72 4.08 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 19 A 7.56 4.37 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 20 N 7.81 4.53 0.00 2.78 2.70 0.00 0.00 6.99 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.12 4.15 0.00 1.98 1.98 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.57 7.81 22 A 8.94 4.27 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 23 A 7.19 4.96 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 24 V 7.97 4.12 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 0.72 0.00 0.00 0.94 0.00 0.00 25 T 8.70 5.33 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 1.23 0.00 0.00 26 M 7.91 4.33 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 27 P 0.00 4.65 0.00 2.10 2.16 0.00 3.78 0.00 0.00 3.58 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 28 S 9.03 4.46 0.00 3.88 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 29 S 8.74 4.60 0.00 3.96 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 30 K 7.43 3.90 0.00 1.86 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 L 7.94 3.90 0.00 1.78 1.66 0.90 0.50 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 32 K 7.54 3.81 0.00 2.13 1.81 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 V 7.78 3.31 2.25 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 1.23 0.00 0.00 1.04 0.00 0.00 34 A 8.04 3.95 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 35 I 7.88 3.70 1.95 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 1.41 1.53 0.83 0.00 0.00 36 A 7.66 3.75 0.57 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 N 7.90 4.28 0.00 2.99 2.93 0.00 0.00 6.62 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 38 V 7.30 3.66 2.22 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 1.08 0.00 0.00 0.99 0.00 0.00 39 L 7.69 4.30 0.00 1.89 1.78 0.83 1.05 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 40 K 8.21 4.04 0.00 2.12 2.17 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.62 7.81 41 E 8.52 4.27 0.00 1.97 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 2.60 2.54 0.00 42 E 7.58 4.54 0.00 2.34 1.77 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 2.66 2.56 0.00 43 G 7.97 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 44 F 8.15 4.62 0.00 3.25 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 45 I 7.42 4.59 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.95 0.00 0.00 46 E 8.85 4.15 0.00 2.04 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 2.42 2.64 0.00 47 D 9.14 4.87 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 5.38 0.00 3.12 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 49 K 9.21 4.60 0.00 1.77 1.61 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.42 7.81 50 V 8.46 4.49 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 0.81 0.00 0.00 0.97 0.00 0.00 51 E 8.93 4.26 0.00 2.08 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 2.30 2.27 0.00 52 G 8.78 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.74 4.63 0.00 2.63 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 54 T 7.80 4.48 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 55 K 7.44 4.47 0.00 1.76 1.66 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 56 P 0.00 5.41 0.00 2.13 2.22 0.00 3.83 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 2.08 1.85 0.00 57 E 8.83 5.01 0.00 1.98 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 2.31 2.34 0.00 58 L 9.38 4.72 0.00 1.73 1.58 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.75 4.49 0.00 2.19 1.87 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 2.30 2.28 0.00 60 L 9.14 5.02 0.00 1.83 1.57 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.55 4.34 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 1.26 0.00 0.00 62 L 8.15 4.50 0.00 1.99 1.60 0.97 0.89 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 K 8.11 4.84 0.00 1.90 1.75 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 64 Y 8.53 5.20 0.00 3.05 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 65 F 8.82 5.02 0.00 2.96 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 4.48 0.00 2.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.44 0.00 0.00 0.00 0.00 0.00 2.07 1.72 0.00 67 G 8.59 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 68 K 7.34 4.25 0.00 1.86 1.72 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.46 7.81 69 A 8.53 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.05 3.61 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 0.94 0.00 0.00 0.97 0.00 0.00 71 V 7.87 3.83 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 0.64 0.00 0.00 0.94 0.00 0.00 72 E 8.09 4.35 0.00 2.16 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 0.00 2.26 2.40 0.00 73 S 8.07 4.47 0.00 3.89 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 74 I 8.04 5.13 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.82 0.00 0.00 75 Q 8.44 4.60 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 76 R 8.61 3.94 0.00 1.70 1.74 0.00 3.43 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 77 V 8.37 3.94 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 0.56 0.00 0.00 -0.19 0.00 0.00 78 S 7.19 4.27 0.00 3.71 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 79 R 7.23 4.08 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 80 P 0.00 4.34 0.00 2.22 2.23 0.00 3.85 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 2.04 1.94 0.00 81 G 8.55 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 0.00 0.00 0.00 82 L 6.69 5.18 0.00 1.56 1.55 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.70 4.18 0.00 1.92 1.45 0.00 3.28 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 84 I 8.29 4.53 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.86 0.00 0.00 85 Y 8.58 5.03 0.00 2.78 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 86 K 8.81 4.75 0.00 1.71 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.60 7.81 87 R 8.26 4.76 0.00 1.78 1.85 0.00 3.17 0.00 0.00 3.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 88 K 8.85 3.83 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 7.98 4.84 0.00 2.79 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 90 E 8.58 4.74 0.00 2.11 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 2.24 2.27 0.00 91 L 8.01 4.30 0.00 1.64 1.61 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.31 0.00 1.95 2.07 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 93 K 8.03 4.30 0.00 1.66 1.71 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.34 7.81 94 V 7.97 3.33 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 0.95 0.00 0.00 0.67 0.00 0.00 95 M 9.36 3.05 0.00 2.27 1.98 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 2.57 2.50 0.00 96 A 9.14 3.91 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 97 G 8.18 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.15 3.67 0.00 1.70 1.74 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.30 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 0.00 0.00 0.00 0.00 100 I 8.52 4.91 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 1.07 0.00 0.00 101 A 9.15 4.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 3.69 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 0.90 0.00 0.00 0.91 0.00 0.00 103 V 9.13 4.64 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 1.04 0.00 0.00 1.01 0.00 0.00 104 S 9.09 4.97 0.00 3.94 3.77 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 0.00 105 T 8.69 4.42 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 1.25 0.00 0.00 106 S 8.79 4.23 0.00 3.86 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 0.00 107 K 8.25 4.23 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 108 G 7.47 3.77 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 0.00 0.00 0.00 109 V 8.08 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 110 M 8.95 5.09 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 111 T 8.35 4.45 4.29 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 1.24 0.00 0.00 112 D 8.66 4.36 0.00 2.85 3.16 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 0.00 113 R 8.11 3.84 0.00 1.83 2.04 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 114 A 7.86 4.09 1.33 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 0.00 115 A 8.18 3.95 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 0.00 116 R 8.39 3.89 0.00 1.88 2.19 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 117 Q 8.12 4.29 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 118 A 7.65 4.25 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 0.00 119 G 8.03 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 0.00 120 L 7.82 4.68 0.00 1.62 1.60 0.93 0.45 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 0.00 121 G 8.21 4.13 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 0.00 0.00 0.00 122 G 7.62 4.16 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 0.00 123 E 7.97 4.81 0.00 2.36 1.90 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 2.05 1.47 0.00 124 I 8.28 4.33 1.78 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 1.39 0.65 0.93 0.00 0.00 125 I 8.16 4.53 1.99 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 1.21 0.81 0.83 0.00 0.00 126 C 7.12 4.73 0.00 2.91 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 0.00 127 Y 7.90 5.14 0.00 2.88 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 0.00 128 V 8.44 4.22 1.63 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 -0.29 0.00 0.00 0.72 0.00 0.00 129 A 8.62 4.51 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