NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7108 8.4449 117.8304 56.4164 28.7873 172.5106 1D H 4.5076 8.5880 119.3672 55.4124 29.4764 173.4599 1E H 5.0994 7.6169 115.7620 53.6669 33.5480 172.0160 1F H 4.6588 8.9257 117.0369 55.8909 29.0592 174.3325 1G F 4.9120 8.3852 119.4852 57.8352 39.8648 174.1262 2 N 4.6384 8.5145 117.1801 52.3863 39.1746 174.5264 3 L 4.8043 8.0635 123.2169 51.9811 44.0822 174.6600 4 P 4.5503 0.0000 0.0000 61.7603 32.1778 174.8085 5 P 4.2668 0.0000 0.0000 64.9129 31.7238 176.6449 6 G 3.7677 7.8834 107.6583 45.3742 0.0000 170.6123 7 N 4.5540 8.0482 115.4830 51.3602 39.9999 173.7146 8 Y 4.9257 7.7900 112.6076 57.9165 38.5084 178.2140 9 K 4.0713 8.8594 123.1829 58.7747 32.2128 177.0759 10 K 4.7268 7.2408 112.6806 53.3520 35.8352 173.7012 11 P 4.8519 0.0000 0.0000 63.2887 32.6331 174.4426 12 C 4.9198 9.3840 114.6394 57.4547 33.8208 172.2733 13 L 5.1666 9.0755 118.4775 53.0646 44.5689 176.4207 14 L 5.0668 8.6136 122.4442 53.4525 43.5003 174.3804 15 Y 4.7289 9.2537 126.8472 56.8490 40.4465 173.5598 16 C 3.9125 8.4479 128.5452 57.6299 32.4406 174.3984 17 S 4.0457 7.9766 121.0321 59.8565 63.0743 175.1604 18 N 4.1957 7.8085 119.9620 56.3168 38.6941 175.4870 19 G 3.9051 7.5313 102.3122 44.4116 0.0000 172.7249 20 G 3.2759 7.7067 107.2595 44.3684 0.0000 173.4177 21 H 4.7116 7.4153 115.2817 54.0179 31.4974 174.1725 22 F 5.2474 8.8183 120.2662 55.9399 40.9092 175.2913 23 L 4.5360 9.0185 125.7168 55.2734 43.3281 175.6141 24 R 4.8971 9.3099 125.9948 54.6061 33.6652 173.8678 25 I 4.5463 8.2159 126.5777 59.3866 38.9099 175.7434 26 L 4.0937 8.8124 128.0829 53.4733 42.2906 176.7657 27 P 4.1498 0.0000 0.0000 65.8910 31.2589 177.2515 28 D 4.5201 7.9472 114.2939 53.6627 39.7462 176.9857 29 G 4.1775 8.4668 110.0625 45.3309 0.0000 174.0010 30 T 4.2886 8.2045 117.4131 63.2767 69.1023 173.6059 31 V 4.8486 8.0068 124.3893 61.2377 34.4461 174.4577 32 D 4.6028 8.4211 124.8636 53.0018 42.5694 174.0828 33 G 4.5822 8.5703 104.5322 45.3993 0.0000 172.3503 34 T 4.9903 8.8332 114.7937 60.4863 71.0725 174.6716 35 R 4.2195 8.8291 124.3409 56.6288 31.0085 176.2561 36 D 4.5674 8.2889 119.3785 53.5602 40.4694 176.6800 37 R 3.6531 8.6492 128.2708 58.6704 30.2800 177.2760 38 S 4.3490 8.4327 110.9626 58.6152 63.5730 174.0031 39 D 4.3679 7.6825 122.0337 54.9039 41.2158 175.9738 40 Q 4.3349 8.4638 123.1943 56.5522 29.3630 175.9677 41 H 4.8713 9.0901 115.8114 55.4819 29.1426 175.3406 42 I 4.5370 7.4151 111.1440 60.0033 38.1827 175.3026 43 Q 4.3812 7.8253 122.0890 55.7265 29.6931 174.8500 44 L 4.9524 9.0630 124.2827 52.7759 45.9773 175.3054 45 Q 4.7852 9.1997 122.6783 54.4641 31.5198 174.5428 46 L 5.4856 8.8684 126.0088 53.0438 44.0784 175.8942 47 S 4.4121 7.9959 113.6381 56.9652 66.6286 172.3639 48 A 4.7906 8.2074 123.4829 50.8570 19.6576 176.9106 49 E 4.0808 8.6915 122.9289 58.4411 30.2391 176.8757 50 S 4.6685 7.4134 112.2097 56.2030 67.2355 173.2375 51 V 3.7655 8.3420 121.6842 64.7342 31.5217 176.3727 52 G 3.9594 9.2058 114.6374 45.4341 0.0000 171.7319 53 E 5.2013 8.4394 120.1560 54.5538 32.2748 175.6571 54 V 4.8828 9.0985 116.7532 59.8901 36.7514 174.0079 55 Y 5.3531 8.5796 119.4184 56.6563 41.0808 175.2861 56 I 4.5926 8.5494 122.4314 59.4802 40.3210 174.4688 57 K 4.8333 8.7517 126.7860 54.4217 36.0908 175.5857 58 S 4.5603 8.8155 118.6408 58.7984 62.5964 174.9965 59 T 3.9200 8.5932 118.5050 64.4746 68.8339 175.9619 60 E 4.0674 8.3634 122.6192 58.3015 29.8707 176.9869 61 T 4.3518 8.0613 106.1631 60.6507 70.2015 175.3550 62 G 3.8580 8.1439 110.1100 45.3048 0.0000 173.8291 63 Q 4.4471 7.6033 118.7928 56.1060 30.3169 174.6085 64 Y 4.6506 8.8793 120.1993 56.0907 40.2351 175.1568 65 L 4.3667 8.9639 126.4305 55.4080 43.4547 175.5542 66 A 4.9877 8.6092 125.8548 50.7782 23.1699 174.4367 67 M 5.3107 8.6673 120.3441 53.8041 34.5300 175.8483 68 D 5.1070 9.6356 126.7865 52.7058 41.0917 176.8400 69 T 4.0868 8.5718 112.6635 64.6611 67.3125 174.2365 70 D 4.8259 8.8093 119.8175 54.0568 41.1665 177.0435 71 G 3.4265 8.6198 107.6599 45.2148 0.0000 172.9522 72 L 4.8342 7.8237 119.4821 53.2131 43.5524 175.9601 73 L 5.0313 8.5485 123.4060 54.9743 42.7574 175.6044 74 Y 5.0375 9.0542 120.2136 55.8068 42.1881 173.6077 75 G 4.2267 8.8351 108.1733 45.1511 0.0000 173.1289 76 S 5.0864 9.0465 120.8753 56.7003 63.9465 175.3289 77 Q 4.1522 9.0724 125.9321 58.1815 28.9398 176.3971 78 T 4.6481 7.4645 105.9735 58.4725 71.7866 171.5923 79 P 3.4922 0.0000 0.0000 62.2973 32.1314 175.2425 80 N 4.9470 7.9836 117.8131 51.2132 40.7046 174.4240 81 E 3.9589 8.7228 114.6852 59.5734 29.7710 178.2803 82 E 4.2155 8.6660 117.6764 57.6904 29.6310 177.4348 83 C 4.9169 7.7887 115.1860 58.9066 29.1620 173.3211 84 L 4.7028 7.1405 120.1991 53.5471 43.0590 175.7475 85 F 5.2824 8.9598 121.3613 55.5751 43.4017 174.2404 86 L 4.8392 9.3460 123.4030 54.0936 42.6678 175.4695 87 E 4.6012 8.8825 126.7212 55.0409 30.3175 175.5207 88 R 4.8398 8.5689 125.4608 54.0328 34.7373 174.7517 89 L 4.7469 8.6228 123.9811 55.2935 43.1941 175.8159 90 E 4.7057 9.0830 124.4462 55.2593 33.6344 174.8707 91 E 4.0148 9.6819 123.5392 57.7254 27.2737 174.1307 92 N 4.3044 8.4388 110.8543 54.0893 36.5432 173.8693 93 H 4.8045 8.1872 117.0656 57.3810 37.3061 173.3604 94 Y 4.6996 7.9654 116.6608 57.4205 39.8911 174.0341 95 N 5.4995 9.5275 118.7839 52.0450 41.1179 174.5185 96 T 5.2540 8.8096 112.5294 60.1698 72.9545 172.6440 97 Y 4.9975 8.6356 119.1275 56.6356 41.5596 174.1487 98 I 4.5632 8.5787 126.1115 59.2042 39.4757 175.4547 99 S 3.9865 8.9488 122.5699 58.5818 62.3764 173.9350 100 K 3.9509 8.7191 129.3883 59.3795 32.2829 178.5721 101 K 3.7299 7.9390 118.1950 59.1246 32.3351 176.7869 102 H 4.4982 7.8149 115.2113 55.0176 29.4897 176.4665 103 A 3.9301 7.6537 125.1292 55.1445 18.4066 180.6518 104 E 3.7102 7.8637 115.4201 58.6412 29.7362 177.3667 105 K 4.2162 7.5103 115.4365 55.4775 32.8198 175.9072 106 N 3.9261 7.6545 115.7240 53.9910 36.3854 174.7259 107 W 5.1578 7.6319 117.6126 55.7741 31.1272 177.5582 108 F 5.4584 9.2929 123.9828 55.4952 41.3307 175.5288 109 V 4.0230 8.9584 121.4211 62.8600 32.4295 175.2139 110 G 4.4801 8.6796 113.0386 45.1651 0.0000 171.2799 111 L 5.2517 8.5017 121.8292 52.4929 44.8581 177.1026 112 K 4.1347 8.8856 123.3116 55.3764 32.9674 178.3305 113 K 3.9031 8.4442 119.6145 59.3611 31.9466 177.8815 114 N 4.5977 8.0843 114.0129 52.5894 37.6399 175.9725 115 G 3.5520 8.1882 108.6467 45.2943 0.0000 173.7081 116 S 4.7850 7.9800 114.8681 56.7706 64.5124 173.8242 117 V 4.1459 8.0408 122.5054 62.9811 32.1415 175.0208 118 K 4.3213 8.6762 129.2824 55.3619 33.1008 176.4480 119 R 3.9808 8.5894 127.9029 56.2291 31.0811 176.9630 120 G 3.3810 8.6577 116.3376 48.2740 0.0000 174.0863 121 P 4.1421 0.0000 0.0000 64.3243 31.3531 177.5049 122 R 4.2118 7.8598 116.3242 56.8842 30.4492 176.5828 123 T 4.9407 7.5993 108.0813 59.9971 70.5483 173.5163 124 H 4.7372 7.9268 114.9418 55.0396 30.3423 173.2370 125 Y 4.0131 8.8708 118.5616 60.1993 38.0844 177.2386 126 G 4.0580 9.0825 111.5138 45.3747 0.0000 173.8043 127 Q 4.2912 7.4051 118.9334 54.9576 30.0420 177.1052 128 K 3.8279 8.2911 119.0524 58.7752 32.8100 179.4484 129 A 3.9952 8.0697 121.2316 53.9724 18.3154 178.4403 130 I 4.3922 7.1884 105.8868 60.4090 38.4225 175.2442 131 L 4.3800 7.2836 123.0588 53.8599 42.6389 175.7157 132 F 5.3625 9.3898 122.8364 55.5700 43.2166 174.5644 133 L 5.3220 9.3436 120.8989 52.3827 45.0739 174.1173 134 P 5.1144 0.0000 0.0000 62.7073 32.0039 175.6432 135 L 4.9402 9.1351 125.7161 51.9263 44.3330 174.7158 136 P 4.6740 0.0000 0.0000 62.7553 32.4941 176.5005 137 V 3.7711 8.1148 118.8737 63.1717 31.5112 175.6965 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 1C H 8.44 4.71 0.00 3.07 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.59 4.51 0.00 3.20 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.62 5.10 0.00 3.20 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.93 4.66 0.00 3.34 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.39 4.91 0.00 2.88 3.07 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 2 N 8.51 4.64 0.00 2.95 2.78 0.00 0.00 6.86 6.74 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 3 L 8.06 4.80 0.00 1.47 1.41 0.61 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.55 0.00 2.19 2.12 0.00 3.69 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 1.98 1.93 0.00 5 P 0.00 4.27 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 7.88 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 7 N 8.05 4.55 0.00 2.60 2.65 0.00 0.00 5.79 7.55 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 8 Y 7.79 4.93 0.00 3.07 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 9 K 8.86 4.07 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 10 K 7.24 4.73 0.00 1.76 1.68 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 P 0.00 4.85 0.00 2.06 2.05 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 12 C 9.38 4.92 0.00 3.13 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 13 L 9.08 5.17 0.00 1.69 1.62 0.54 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.61 5.07 0.00 1.56 1.60 0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.25 4.73 0.00 3.32 3.17 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 0.00 0.00 0.00 0.00 16 C 8.45 3.91 0.00 2.45 2.36 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 17 S 7.98 4.05 0.00 4.02 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 18 N 7.81 4.20 0.00 2.52 2.64 0.00 0.00 6.76 7.98 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 19 G 7.53 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 0.00 0.00 0.00 20 G 7.71 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 0.00 0.00 0.00 21 H 7.42 4.71 0.00 3.01 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.82 5.25 0.00 3.07 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 23 L 9.02 4.54 0.00 1.82 1.52 0.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.31 4.90 0.00 1.92 2.06 0.00 3.30 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 25 I 8.22 4.55 1.84 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 1.18 0.74 0.89 0.00 0.00 26 L 8.81 4.09 0.00 1.78 1.52 0.92 1.15 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 27 P 0.00 4.15 0.00 1.99 2.11 0.00 3.51 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 28 D 7.95 4.52 0.00 2.79 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 29 G 8.47 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 0.00 0.00 0.00 0.00 30 T 8.20 4.29 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 1.22 0.00 0.00 31 V 8.01 4.85 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 0.89 0.00 0.00 0.94 0.00 0.00 32 D 8.42 4.60 0.00 2.87 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 33 G 8.57 4.58 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 34 T 8.83 4.99 4.32 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 1.36 0.00 0.00 35 R 8.83 4.22 0.00 1.87 1.98 0.00 3.19 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 36 D 8.29 4.57 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 37 R 8.65 3.65 0.00 1.86 1.90 0.00 2.94 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.48 0.00 38 S 8.43 4.35 0.00 3.98 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 39 D 7.68 4.37 0.00 2.81 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 40 Q 8.46 4.33 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 41 H 9.09 4.87 0.00 3.33 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.42 4.54 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.05 0.00 0.00 43 Q 7.83 4.38 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 9.06 4.95 0.00 1.47 1.42 0.81 0.41 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 45 Q 9.20 4.79 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 46 L 8.87 5.49 0.00 1.67 1.33 0.85 1.06 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 47 S 8.00 4.41 0.00 3.84 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 48 A 8.21 4.79 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 49 E 8.69 4.08 0.00 1.69 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 1.48 1.79 0.00 50 S 7.41 4.67 0.00 3.97 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 51 V 8.34 3.77 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 0.96 0.00 0.00 1.02 0.00 0.00 52 G 9.21 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 53 E 8.44 5.20 0.00 2.00 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 2.22 2.28 0.00 54 V 9.10 4.88 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 0.67 0.00 0.00 1.21 0.00 0.00 55 Y 8.58 5.35 0.00 2.99 2.92 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 56 I 8.55 4.59 1.71 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.65 0.00 0.00 57 K 8.75 4.83 0.00 1.37 1.10 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.53 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.22 1.12 7.81 58 S 8.82 4.56 0.00 3.83 3.87 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 0.00 0.00 0.00 59 T 8.59 3.92 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 1.21 0.00 0.00 60 E 8.36 4.07 0.00 2.00 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 2.19 2.37 0.00 61 T 8.06 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 1.24 0.00 0.00 62 G 8.14 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.60 4.45 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 64 Y 8.88 4.65 0.00 2.80 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 65 L 8.96 4.37 0.00 1.59 1.48 0.81 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.61 4.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 5.31 0.00 2.26 2.28 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 2.72 2.75 0.00 68 D 9.64 5.11 0.00 2.93 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 69 T 8.57 4.09 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 1.27 0.00 0.00 70 D 8.81 4.83 0.00 2.68 2.62 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 71 G 8.62 3.43 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 0.00 72 L 7.82 4.83 0.00 1.89 1.63 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.55 5.03 0.00 1.57 1.62 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.05 5.04 0.00 2.97 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 75 G 8.84 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 0.00 0.00 0.00 0.00 76 S 9.05 5.09 0.00 3.74 3.70 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 77 Q 9.07 4.15 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.46 4.65 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 1.20 0.00 0.00 79 P 0.00 3.49 0.00 1.59 0.49 0.00 3.44 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 80 N 7.98 4.95 0.00 2.89 2.90 0.00 0.00 6.01 7.66 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 81 E 8.72 3.96 0.00 2.11 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 0.00 2.34 2.27 0.00 82 E 8.67 4.22 0.00 2.30 2.33 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 2.39 2.34 0.00 83 C 7.79 4.92 0.00 3.18 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 84 L 7.14 4.70 0.00 1.49 1.40 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.96 5.28 0.00 3.18 3.11 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 86 L 9.35 4.84 0.00 1.55 1.63 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.88 4.60 0.00 2.16 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 2.18 1.90 0.00 88 R 8.57 4.84 0.00 1.79 1.84 0.00 3.15 0.00 0.00 2.91 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 89 L 8.62 4.75 0.00 1.53 1.61 0.98 0.93 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 90 E 9.08 4.71 0.00 2.24 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 2.31 2.45 0.00 91 E 9.68 4.01 0.00 2.43 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 2.30 2.41 0.00 92 N 8.44 4.30 0.00 2.83 2.88 0.00 0.00 6.88 8.16 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 93 H 8.19 4.80 0.00 2.83 3.00 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.97 4.70 0.00 3.02 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 95 N 9.53 5.50 0.00 2.89 2.54 0.00 0.00 6.91 7.09 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 96 T 8.81 5.25 4.57 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 1.39 0.00 0.00 97 Y 8.64 5.00 0.00 2.86 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 98 I 8.58 4.56 1.68 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 -0.30 0.59 0.57 0.00 0.00 99 S 8.95 3.99 0.00 4.08 4.06 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 0.00 100 K 8.72 3.95 0.00 1.71 1.69 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.31 7.81 101 K 7.94 3.73 0.00 1.57 1.64 0.00 1.48 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.98 7.81 102 H 7.81 4.50 0.00 2.91 2.02 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.65 3.93 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 0.00 104 E 7.86 3.71 0.00 1.54 1.78 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 2.19 2.19 0.00 105 K 7.51 4.22 0.00 1.15 1.73 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.09 7.81 106 N 7.65 3.93 0.00 3.04 3.05 0.00 0.00 6.87 7.07 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 0.00 107 W 7.63 5.16 0.00 3.24 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 0.00 108 F 9.29 5.46 0.00 2.86 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 0.00 109 V 8.96 4.02 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 0.62 0.00 0.00 0.51 0.00 0.00 110 G 8.68 4.48 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 0.00 111 L 8.50 5.25 0.00 1.48 1.45 1.02 0.76 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 0.00 112 K 8.89 4.13 0.00 1.95 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 113 K 8.44 3.90 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.42 7.81 114 N 8.08 4.60 0.00 2.78 2.88 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.19 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 0.00 116 S 7.98 4.78 0.00 3.99 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 0.00 117 V 8.04 4.15 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 0.77 0.00 0.00 0.99 0.00 0.00 118 K 8.68 4.32 0.00 1.76 1.67 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.33 7.81 119 R 8.59 3.98 0.00 1.83 1.62 0.00 3.25 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 120 G 8.66 3.38 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 0.00 121 P 0.00 4.14 0.00 1.89 2.12 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 122 R 7.86 4.21 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 123 T 7.60 4.94 4.34 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 1.28 0.00 0.00 124 H 7.93 4.74 0.00 3.46 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.87 4.01 0.00 3.15 2.92 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 0.00 126 G 9.08 4.06 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 0.00 0.00 0.00 127 Q 7.41 4.29 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 128 K 8.29 3.83 0.00 1.76 1.64 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.28 7.81 129 A 8.07 4.00 1.23 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 0.00 0.00 0.00 130 I 7.19 4.39 1.61 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.48 0.00 0.00 131 L 7.28 4.38 0.00 1.08 0.49 0.44 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.39 5.36 0.00 3.42 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 0.00 133 L 9.34 5.32 0.00 1.85 1.68 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.18 2.25 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 135 L 9.14 4.94 0.00 1.67 1.64 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.67 0.00 2.07 2.06 0.00 3.77 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 1.98 1.96 0.00 137 V 8.11 3.77 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 0.73 0.00 0.00 0.94 0.00 0.00