NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4122 8.2893 120.3486 55.3593 33.0662 174.7066 2 N 4.6530 8.5882 124.0949 51.4569 38.9039 173.0013 3 I 4.5985 8.8077 121.2372 59.5708 41.8996 176.3018 4 I 4.3711 8.3208 123.7574 59.6275 38.5694 175.1421 5 K 4.4518 8.6183 124.8961 54.4021 33.9662 176.1825 6 A 4.5864 8.3893 126.3922 50.7687 21.1563 175.1320 7 N 5.0319 8.2036 116.9494 51.9673 41.5793 175.7796 8 V 3.9385 8.0953 114.1336 62.5337 32.3881 176.3257 9 A 4.2441 8.1299 123.6471 52.0908 18.6546 178.0524 10 A 4.6360 8.3263 123.1823 51.2067 21.4515 174.0432 11 P 4.7382 0.0000 0.0000 64.9134 32.1559 178.8469 12 D 4.7291 8.0552 115.5216 54.2784 40.5741 175.8771 13 A 4.5591 7.6268 124.7239 52.0248 19.9355 178.3796 14 R 4.8069 9.5494 120.6411 55.1764 32.7007 175.8272 15 V 4.9554 8.8378 124.5645 60.0124 34.7707 174.0078 16 A 4.8831 8.3839 128.3942 50.0736 21.5494 175.2257 17 I 4.8078 8.7171 123.4518 59.5436 39.7674 174.7018 18 T 4.8398 8.5988 117.4763 59.9736 70.8623 173.2860 19 I 5.1935 8.4135 126.6193 58.2294 40.5814 174.4817 20 A 5.0932 8.4326 127.7319 51.2474 19.2762 177.8944 21 R 4.4612 9.2254 119.3972 58.3453 30.3154 176.9496 22 F 4.6082 8.2547 121.4248 59.9423 39.6681 174.3319 23 N 4.6621 9.8762 123.9397 54.5162 35.5850 176.1178 24 Q 4.1588 8.3077 120.4434 59.4617 28.0676 177.9183 25 F 3.8891 8.5018 121.4823 61.2122 39.4171 176.5038 26 I 4.1839 8.2743 118.7314 63.8395 37.0956 177.8518 27 N 4.3929 8.2650 116.6006 56.2078 38.2879 176.9930 28 D 4.4985 8.7662 120.9826 57.6100 41.0051 178.7940 29 S 4.0704 7.9535 113.0303 60.9977 62.4302 175.3872 30 L 4.0594 7.8350 123.2881 58.6670 41.6449 178.3657 31 L 3.8566 8.3469 120.4492 57.7176 41.9926 178.5390 32 D 4.5087 8.4909 118.5825 57.3864 40.8966 179.7818 33 G 3.5891 8.1617 105.6901 47.7582 0.0000 175.3673 34 A 4.0083 7.8040 123.3549 54.7149 18.4929 179.3294 35 V 3.4394 7.9582 116.8597 66.3246 31.5717 177.2391 36 D 4.3225 8.1341 117.1465 57.9475 40.9081 177.8347 37 A 3.8920 8.2995 120.5378 55.9188 18.3866 179.0718 38 L 3.8121 8.6415 115.8035 59.2375 41.9831 179.9746 39 T 4.1626 8.3469 110.6720 64.2862 68.6768 176.3966 40 R 3.8668 8.1732 122.9745 58.2496 30.3343 178.3850 41 I 4.2051 7.8631 118.3661 63.6102 38.0310 177.7512 42 G 3.8611 7.8643 103.8734 43.9679 0.0000 173.9397 43 Q 3.6585 7.9620 120.4454 56.5335 28.0371 172.8564 44 V 3.9046 7.4685 116.3885 61.9161 32.3292 175.0191 45 K 4.3297 8.5783 128.8912 56.2697 32.5458 176.6460 46 D 4.7161 8.8125 124.2888 53.9986 39.0545 176.2088 47 D 4.8086 7.9823 117.0934 53.7719 40.2632 176.2791 48 N 4.7057 8.5779 117.7481 53.6762 39.3066 174.0746 49 I 4.9783 7.5870 120.2566 60.1797 38.4809 175.1603 50 T 4.7000 8.8134 117.4279 59.6930 71.8424 173.0182 51 V 4.5934 8.4120 123.8506 61.0450 34.0538 174.5211 52 V 4.3017 8.9392 129.0732 60.8045 33.7058 174.5316 53 W 4.8689 8.9695 129.1156 56.5283 29.5385 176.4739 54 V 4.3106 8.6242 119.1238 59.0609 33.5483 174.5642 55 P 4.3149 0.0000 0.0000 65.0039 31.1746 177.2229 56 G 4.5107 7.9574 108.0223 42.9112 0.0000 174.0514 57 A 4.0607 8.4661 120.3795 54.7590 18.0856 179.2173 58 Y 4.2066 8.1507 117.0487 60.4764 39.2996 177.1660 59 E 4.1632 8.1562 118.8754 57.6421 29.6904 178.3806 60 L 3.8996 7.4939 119.5290 58.1133 41.6157 177.0849 61 P 4.1817 0.0000 0.0000 64.8353 31.1736 177.9572 62 L 3.8825 7.7313 117.9507 58.4744 42.1488 179.2650 63 A 3.9897 7.8069 120.0330 55.6135 18.3085 179.8309 64 T 3.8490 8.1815 108.4077 64.4849 68.7329 176.2017 65 E 3.8448 8.9689 122.8713 59.2135 29.6035 178.3071 66 A 4.0141 8.0236 120.5467 55.5979 18.1890 179.6328 67 L 4.0926 7.5575 114.9306 57.9088 41.9686 179.4401 68 A 4.2299 8.3602 120.9242 55.1123 18.1984 179.7686 69 K 3.9148 8.2076 116.3137 59.6833 32.1580 178.9350 70 S 4.1968 8.1236 112.8789 59.5198 62.2164 175.8890 71 G 3.9541 8.5285 110.5559 46.2645 0.0000 176.0830 72 K 3.8661 7.6562 120.2118 56.3279 31.8552 182.1771 73 Y 5.1173 6.9637 113.7663 56.8595 40.6611 175.3970 74 D 4.7582 8.9899 121.7222 55.5750 41.8518 176.4727 75 A 4.5399 7.3178 117.5774 51.2379 22.4917 175.0892 76 V 4.6957 8.2715 120.0945 61.0285 34.6548 174.4905 77 V 4.3455 8.7867 128.3038 61.5344 33.3934 174.1856 78 A 4.9129 8.5511 130.3228 49.7513 20.7802 175.2601 79 L 5.3084 7.8997 123.3166 52.7537 44.2967 176.3802 80 G 4.2121 7.7873 108.5225 45.8672 0.0000 171.8632 81 T 5.0950 8.5163 116.1071 61.5078 72.1480 174.3241 82 V 4.2226 9.0860 125.1018 61.3430 34.1316 173.8293 83 I 4.8073 8.1906 128.7405 59.5147 38.6401 176.0007 84 R 3.6070 8.4907 128.0638 56.6845 30.2213 176.3177 85 G 4.3945 8.3676 116.5075 44.3019 0.0000 172.9849 86 G 3.6375 8.7755 107.6806 47.4918 0.0000 173.3044 87 T 4.5223 7.6044 108.3811 59.7325 71.4838 173.5442 88 A 4.4700 8.3648 121.3454 52.7034 18.9669 178.5401 89 H 4.2582 8.3535 119.5483 60.2225 29.7127 176.8382 90 F 4.0259 8.4878 121.8745 61.5878 39.0041 176.6472 91 E 3.5989 8.0267 118.4335 59.5205 29.3791 178.3599 92 Y 4.3303 7.3815 115.8461 60.6446 38.2683 177.5970 93 V 3.6805 7.6576 119.2248 65.8898 31.6039 177.8330 94 A 4.0876 7.7668 120.2071 55.2666 18.0934 179.5387 95 G 3.6418 8.1654 104.7422 47.7068 0.0000 175.9275 96 G 3.8832 8.6830 107.9817 45.6723 0.0000 174.7408 97 A 4.2835 7.8353 122.6689 54.3530 19.6673 179.1739 98 S 4.1116 8.2941 111.9298 61.8212 62.3547 176.2691 99 N 4.4181 8.4390 119.3023 55.9913 38.3169 177.3958 100 G 3.7405 7.6619 105.9427 48.0935 0.0000 175.5230 101 L 3.9962 8.0215 121.7018 57.2388 41.8248 179.6010 102 A 3.9858 8.0373 120.6452 55.0281 18.2839 179.5734 103 S 3.9549 8.3390 111.8779 61.5199 62.4649 176.1464 104 V 3.5436 7.7197 120.7306 66.2517 31.0762 177.6505 105 A 4.4015 7.8127 121.1794 54.8337 18.0121 179.4455 106 Q 3.8792 7.7018 116.2400 59.1171 29.1197 177.7927 107 D 4.5366 7.9723 119.4232 56.9445 41.3086 178.5216 108 S 4.3494 8.2814 113.0176 58.7823 63.4446 175.5634 109 G 3.8846 8.1710 109.6752 45.5972 0.0000 173.6007 110 V 3.9995 7.5531 121.0198 61.4931 33.0353 173.6068 111 P 4.5918 0.0000 0.0000 62.6636 32.5046 175.1621 112 V 4.8277 8.3851 123.5880 61.0156 34.0229 174.2686 113 A 4.3998 8.8479 130.4734 51.0671 20.2219 176.3394 114 F 4.8344 8.9979 126.8633 56.2984 38.2813 175.8576 115 G 3.9361 8.0599 117.6233 44.8401 0.0000 170.8234 116 V 4.6012 6.0797 117.4192 60.6088 34.0482 176.0318 117 L 4.2616 8.7983 129.5009 55.0836 42.7584 176.5879 118 T 5.5292 8.7611 112.9374 58.7402 68.8614 172.6651 119 T 4.5907 8.1668 120.9849 61.0598 72.0368 175.0542 120 E 4.1085 9.6703 120.4133 57.2578 30.5091 177.1840 121 S 4.7064 7.5744 112.0233 55.5998 67.6276 174.8228 122 I 3.6876 8.2150 123.0859 64.2559 36.8865 177.9435 123 E 3.9264 8.2585 119.8581 59.8211 29.1022 179.0197 124 Q 4.1758 7.8722 115.9630 58.7917 29.0258 178.3049 125 A 4.1604 7.8277 121.8173 55.3820 18.1162 179.7338 126 I 3.7588 7.9407 118.2093 64.6420 37.1043 178.5435 127 E 4.6311 8.0613 120.2615 58.1472 29.2730 178.4497 128 R 4.5228 7.9848 115.8713 55.7417 30.5864 176.7091 129 A 4.8250 7.2658 120.6167 52.6750 19.5462 177.1512 130 G 4.4593 8.1163 107.6553 48.1460 0.0000 175.4114 131 T 4.6358 7.4765 115.4973 60.1428 68.7550 175.6701 132 K 3.7592 9.2608 117.1533 59.3510 31.7413 177.9823 133 A 4.5595 7.7746 119.3865 52.0767 20.0118 178.8583 134 G 3.7411 8.0036 110.9398 47.2960 0.0000 173.8333 135 N 5.3273 8.2328 117.5839 50.9393 40.8745 175.5484 136 K 4.0112 8.9515 128.8709 59.1224 32.0848 178.9500 137 G 4.0883 8.2339 107.5687 47.3751 0.0000 175.5322 138 A 4.0355 7.8782 123.2380 54.3288 18.4247 179.2413 139 E 3.8424 8.4500 117.8491 59.3523 29.7399 178.8994 140 A 4.0336 8.5877 122.4292 54.4248 18.4820 179.3590 141 A 3.8990 8.1541 119.4097 55.3401 18.3978 179.9306 142 L 3.9241 8.0695 117.6620 58.2148 41.2394 179.9001 143 T 3.8403 8.1593 109.4522 64.6123 68.4594 176.1052 144 A 3.9768 7.9446 123.8445 55.0935 18.5136 179.0404 145 L 3.8715 7.8428 116.6713 58.2261 41.8471 179.2779 146 E 4.1768 8.3438 120.0843 59.1344 29.4101 179.0566 147 M 4.0704 8.0574 118.2772 58.3453 31.9401 178.4401 148 I 3.6992 7.7360 119.9438 64.8228 37.3717 178.1744 149 N 4.3100 7.9992 116.3185 56.2075 38.1599 177.4467 150 V 3.5971 7.9797 118.9795 66.2846 31.7504 177.8573 151 L 4.0774 8.3740 118.7007 57.8114 41.3588 179.3349 152 K 3.9292 8.0763 118.6775 59.4613 32.2026 176.8839 153 A 4.4849 7.8327 119.9461 51.8088 19.4670 177.2452 154 I 3.8773 7.8229 120.9273 63.2012 37.7468 173.9511 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.81 4.60 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.37 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 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 7 N 8.20 5.03 0.00 2.74 2.65 0.00 0.00 6.86 7.71 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 8 V 8.10 3.94 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 0.91 0.00 0.00 0.93 0.00 0.00 9 A 8.13 4.24 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 10 A 8.33 4.64 1.21 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 0.00 0.00 0.00 11 P 0.00 4.74 0.00 2.23 2.37 0.00 3.86 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 2.07 1.94 0.00 12 D 8.06 4.73 0.00 2.69 2.73 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 13 A 7.63 4.56 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 14 R 9.55 4.81 0.00 1.42 1.79 0.00 3.22 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.84 4.96 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 0.88 0.00 0.00 0.95 0.00 0.00 16 A 8.38 4.88 0.24 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 17 I 8.72 4.81 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.73 0.00 0.00 18 T 8.60 4.84 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 1.09 0.00 0.00 19 I 8.41 5.19 0.74 0.00 0.00 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 0.79 -0.14 0.34 0.00 0.00 20 A 8.43 5.09 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 21 R 9.23 4.46 0.00 2.09 2.51 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.25 4.61 0.00 3.14 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 23 N 9.88 4.66 0.00 2.97 2.99 0.00 0.00 6.88 8.11 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 24 Q 8.31 4.16 0.00 2.53 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.89 0.00 3.14 3.20 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 26 I 8.27 4.18 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.77 0.95 0.00 0.00 27 N 8.26 4.39 0.00 2.88 2.91 0.00 0.00 7.08 8.08 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 28 D 8.77 4.50 0.00 2.67 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 29 S 7.95 4.07 0.00 3.81 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 30 L 7.83 4.06 0.00 1.92 1.64 0.97 0.55 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 31 L 8.35 3.86 0.00 1.78 1.79 0.77 1.04 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 32 D 8.49 4.51 0.00 2.86 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 33 G 8.16 3.59 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 0.00 34 A 7.80 4.01 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 35 V 7.96 3.44 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 0.97 0.00 0.00 0.94 0.00 0.00 36 D 8.13 4.32 0.00 2.85 2.90 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 37 A 8.30 3.89 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 38 L 8.64 3.81 0.00 1.85 1.72 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.35 4.16 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 40 R 8.17 3.87 0.00 1.84 2.23 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.86 4.21 2.07 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 1.45 0.96 0.91 0.00 0.00 42 G 7.86 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 43 Q 7.96 3.66 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.47 3.90 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 0.91 0.00 0.00 1.04 0.00 0.00 45 K 8.58 4.33 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.72 0.00 2.83 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 47 D 7.98 4.81 0.00 2.78 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 48 N 8.58 4.71 0.00 2.87 3.00 0.00 0.00 6.90 7.50 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 49 I 7.59 4.98 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.88 0.00 0.00 50 T 8.81 4.70 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 1.52 0.00 0.00 51 V 8.41 4.59 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 8.94 4.30 1.98 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 0.94 0.00 0.00 0.87 0.00 0.00 53 W 8.97 4.87 0.00 3.20 3.19 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 54 V 8.62 4.31 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 0.83 0.00 0.00 1.03 0.00 0.00 55 P 0.00 4.31 0.00 2.19 2.29 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.96 4.51 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 0.00 0.00 0.00 57 A 8.47 4.06 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 58 Y 8.15 4.21 0.00 2.92 3.09 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 59 E 8.16 4.16 0.00 2.02 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 0.00 2.61 2.58 0.00 60 L 7.49 3.90 0.00 1.79 1.71 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.03 1.86 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 62 L 7.73 3.88 0.00 1.63 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.99 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 64 T 8.18 3.85 4.19 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 1.23 0.00 0.00 65 E 8.97 3.84 0.00 2.00 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 2.31 2.34 0.00 66 A 8.02 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.09 0.00 1.75 1.70 0.63 1.20 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 68 A 8.36 4.23 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 69 K 8.21 3.91 0.00 1.87 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.12 4.20 0.00 3.91 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 71 G 8.53 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 72 K 7.66 3.87 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.12 0.00 3.00 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 74 D 8.99 4.76 0.00 2.56 2.74 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 75 A 7.32 4.54 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 76 V 8.27 4.70 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.79 4.35 1.98 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.55 4.91 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 79 L 7.90 5.31 0.00 1.38 1.41 0.80 0.67 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 80 G 7.79 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 0.00 0.00 0.00 0.00 81 T 8.52 5.09 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 1.20 0.00 0.00 82 V 9.09 4.22 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 0.88 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.81 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.85 0.00 0.00 84 R 8.49 3.61 0.00 0.67 1.40 0.00 3.08 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.37 4.39 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 0.00 86 G 8.78 3.64 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 0.00 0.00 0.00 87 T 7.60 4.52 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 1.24 0.00 0.00 88 A 8.36 4.47 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 89 H 8.35 4.26 0.00 3.27 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.03 0.00 3.11 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 91 E 8.03 3.60 0.00 1.93 1.12 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 2.01 2.18 0.00 92 Y 7.38 4.33 0.00 2.99 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 93 V 7.66 3.68 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.77 4.09 0.91 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 95 G 8.17 3.64 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 0.00 0.00 0.00 96 G 8.68 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 97 A 7.84 4.28 1.47 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 0.00 0.00 98 S 8.29 4.11 0.00 3.66 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 99 N 8.44 4.42 0.00 2.80 2.82 0.00 0.00 6.95 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 0.00 100 G 7.66 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 0.00 101 L 8.02 4.00 0.00 2.03 1.81 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.04 3.99 1.29 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 0.00 0.00 103 S 8.34 3.95 0.00 3.95 4.03 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 0.00 0.00 0.00 104 V 7.72 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 105 A 7.81 4.40 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 0.00 106 Q 7.70 3.88 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.97 4.54 0.00 2.70 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 0.00 108 S 8.28 4.35 0.00 4.03 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 0.00 109 G 8.17 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 0.00 110 V 7.55 4.00 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 0.96 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.83 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.85 4.40 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 0.00 114 F 9.00 4.83 0.00 3.00 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 0.00 115 G 8.06 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 0.00 0.00 0.00 116 V 6.08 4.60 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 0.69 0.00 0.00 -0.06 0.00 0.00 117 L 8.80 4.26 0.00 1.61 1.58 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.76 5.53 4.46 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 1.25 0.00 0.00 119 T 8.17 4.59 4.40 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 1.24 0.00 0.00 120 E 9.67 4.11 0.00 1.94 1.92 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 2.30 2.30 0.00 121 S 7.57 4.71 0.00 3.95 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 0.00 122 I 8.21 3.69 1.84 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 1.47 0.68 0.87 0.00 0.00 123 E 8.26 3.93 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.87 4.18 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.83 4.16 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 0.00 126 I 7.94 3.76 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.40 0.99 0.00 0.00 127 E 8.06 4.63 0.00 2.26 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 2.34 2.38 0.00 128 R 7.98 4.52 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.27 4.83 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 0.00 130 G 8.12 4.46 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 0.00 131 T 7.48 4.64 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 1.28 0.00 0.00 132 K 9.26 3.76 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.77 4.56 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 0.00 134 G 8.00 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 0.00 135 N 8.23 5.33 0.00 2.70 2.65 0.00 0.00 6.93 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 0.00 136 K 8.95 4.01 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.23 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 0.00 138 A 7.88 4.04 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 0.00 139 E 8.45 3.84 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.59 4.03 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 0.00 141 A 8.15 3.90 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 0.00 142 L 8.07 3.92 0.00 1.98 1.72 0.91 0.50 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 0.00 143 T 8.16 3.84 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 1.29 0.00 0.00 144 A 7.94 3.98 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 0.00 145 L 7.84 3.87 0.00 1.87 1.89 0.95 0.81 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 0.00 146 E 8.34 4.18 0.00 2.02 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 0.00 2.32 2.24 0.00 147 M 8.06 4.07 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.74 3.70 2.06 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 1.68 0.79 0.92 0.00 0.00 149 N 8.00 4.31 0.00 2.96 2.86 0.00 0.00 6.73 7.86 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 0.00 150 V 7.98 3.60 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.37 4.08 0.00 1.94 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.08 3.93 0.00 1.85 2.07 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 7.83 4.48 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 0.00 154 I 7.82 3.88 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 1.16 0.73 0.91 0.00 0.00