NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4234 8.3044 120.3286 54.5478 33.4592 174.5535 2 E 3.7372 8.4346 121.0649 55.3984 30.0951 174.7836 3 A 4.0165 8.7428 128.2317 52.8166 19.9193 177.0006 4 L 3.9486 8.5212 123.6266 58.0015 42.3923 178.1426 5 G 4.0790 9.3430 103.6273 44.6779 0.0000 172.3013 6 A 4.6318 7.3178 118.0825 50.9971 22.2807 175.8305 7 D 4.7661 9.0439 120.4363 53.2955 42.6495 175.9115 8 V 4.6208 8.4017 122.5991 61.4147 34.1229 174.9754 9 T 4.4499 7.8569 123.5264 61.7365 69.0553 174.3792 10 Q 3.9053 8.7826 125.3907 56.8795 28.9785 177.5415 11 G 4.0975 9.0270 109.3958 45.9984 0.0000 172.8345 12 L 5.0754 8.1879 120.1367 52.8771 46.2715 175.1647 13 E 5.0790 8.7659 119.5964 53.8698 34.3381 175.1733 14 K 4.0621 8.4334 122.2216 58.1623 32.4647 177.1003 15 G 4.0068 9.8970 115.1465 45.1779 0.0000 174.0228 16 S 4.3141 7.8311 116.3478 58.6360 64.1849 173.1894 17 L 5.1998 8.4177 123.2783 53.2143 43.1264 175.7470 18 I 4.7395 9.1476 117.3617 58.9216 41.8574 174.6939 19 T 4.2534 8.6075 119.5143 63.7496 69.6292 173.9810 20 C 4.8455 8.3808 126.5381 57.1257 31.5040 174.2142 21 A 4.5192 8.1643 134.8818 50.6020 16.1236 174.7674 22 D 5.3550 7.6533 119.1473 53.1640 42.3433 175.1943 23 N 5.0381 8.3874 115.3124 53.0059 37.6202 175.7773 24 T 3.9724 8.5662 111.5540 63.8930 69.5537 175.2741 25 G 3.9602 8.3430 108.8173 45.0913 0.0000 172.7594 26 A 4.7207 7.4468 123.4233 51.2986 20.2597 176.8991 27 R 4.4403 9.0978 122.2520 57.1161 32.5082 176.2547 28 E 5.0964 8.0141 118.7185 54.1900 33.0662 174.4496 29 L 5.1879 9.2047 126.1191 52.7662 45.5259 175.0716 30 K 4.9184 8.7833 124.2571 54.3969 34.2458 175.2596 31 V 3.9874 8.8720 128.6776 63.5102 31.9317 175.7521 32 I 4.3554 8.5461 128.5154 62.9328 38.5955 175.9719 33 S 4.7217 7.7645 115.2566 57.1724 68.3008 172.9053 34 V 4.5975 8.1582 120.5917 61.0162 33.7743 174.4330 35 H 4.2751 9.0903 128.7048 57.6204 30.1060 175.6627 36 G 3.8764 8.4965 113.1308 45.9738 0.0000 172.7777 37 Y 4.4725 7.5994 120.1051 56.6750 39.8766 174.8186 38 S 4.2598 6.9302 119.1266 57.0824 66.1771 173.1841 39 G 4.0866 7.8062 118.8449 45.1739 0.0000 174.1880 40 T 4.4970 8.2505 118.4489 59.7566 70.1640 172.1578 41 K 3.8223 8.4912 125.0119 58.3738 32.1865 176.8500 42 N 4.4885 8.9819 121.5858 53.6239 37.2678 174.3830 43 R 4.1000 7.9321 119.3734 55.5602 30.5338 175.8286 44 L 4.2148 8.4683 126.2828 53.5251 42.5168 174.9655 45 P 4.4861 0.0000 0.0000 63.2512 31.9713 175.2133 46 K 5.1346 7.8129 122.0180 55.0985 35.3081 175.1074 47 A 4.7317 9.1165 122.7675 50.9297 23.3099 175.9695 48 G 4.1917 9.1790 107.2913 44.1611 0.0000 171.6327 49 L 3.9808 8.0483 118.7502 56.8947 41.8118 178.1882 50 G 4.1636 8.9469 112.2690 45.3167 0.0000 173.4050 51 D 4.7302 7.9121 119.9950 53.9817 42.4156 175.3171 52 K 4.8416 8.6821 123.2980 55.3556 34.0136 175.2597 53 I 5.0676 8.7281 120.0266 59.4465 41.6463 174.2232 54 T 4.7222 8.6852 120.7113 62.9473 70.0825 174.1779 55 V 4.9595 9.5299 125.4251 61.2374 36.0518 173.6823 56 S 5.0863 8.6558 117.9967 56.2981 65.6167 173.0120 57 V 4.2266 8.3325 127.0958 63.0548 31.6303 176.4737 58 T 4.0885 8.8059 125.8361 65.7370 69.2339 175.6941 59 K 4.5626 9.1259 119.5986 53.8984 36.0168 177.3713 60 G 3.6094 8.2980 109.5102 45.4220 0.0000 172.2668 61 T 4.0850 7.7524 110.4165 60.7616 69.5649 173.3966 62 P 4.2103 0.0000 0.0000 66.2672 31.3962 178.4105 63 E 4.1001 8.0937 115.2047 59.6125 29.6985 178.8279 64 M 4.1672 7.8534 118.1623 56.7919 32.3770 176.7848 65 R 3.9549 7.7607 117.6385 58.0521 30.4886 176.7462 66 R 3.9928 8.8876 122.0747 56.6192 29.4149 176.6240 67 Q 4.1707 7.8794 118.1548 55.7540 30.1244 175.5347 68 V 4.3327 8.3103 123.2884 61.8509 32.2139 174.5592 69 L 4.9126 8.8993 127.6610 52.8388 46.2333 175.1573 70 E 4.7455 8.4868 119.9559 55.5257 31.8884 174.2661 71 A 4.9441 8.6511 125.5490 51.0839 23.8243 174.9396 72 V 4.5273 8.3368 118.1432 60.9473 34.8862 174.7642 73 V 4.0513 8.4454 128.4971 63.1219 32.0438 176.2197 74 V 4.1532 8.7865 127.8854 63.5462 33.7924 175.3637 75 R 4.1695 7.4566 117.7335 54.6345 34.7358 173.9498 76 Q 5.0470 8.2285 118.0201 55.3132 31.4490 175.7217 77 R 4.3296 9.2152 120.1788 58.3332 30.5057 177.6177 78 K 4.2321 7.8891 119.0375 55.3956 31.3409 175.3560 79 P 4.9053 0.0000 0.0000 63.0115 32.7675 174.9953 80 I 4.9357 8.5836 114.2050 59.2484 41.7107 173.8040 81 R 4.9906 9.0445 123.6869 54.8202 32.3793 175.2523 82 R 4.7390 8.6408 124.9501 54.0964 32.0501 175.6838 83 P 4.1381 0.0000 0.0000 65.9720 31.4038 177.0006 84 D 4.5967 8.0575 114.5666 53.2170 39.5285 176.9133 85 G 4.0296 8.6782 110.1470 45.8265 0.0000 174.6107 86 T 4.0912 7.6909 116.7251 63.7759 69.5078 173.9302 87 R 5.0783 8.4394 123.7087 55.0393 32.2919 175.9120 88 V 4.5339 8.6859 121.8888 60.9971 34.7927 174.4292 89 K 4.9621 8.2384 124.9220 55.5891 35.4866 175.2931 90 F 4.6936 8.8779 120.7913 55.7446 41.4485 176.6287 91 E 4.0969 9.0197 120.4843 58.9810 29.6895 175.1412 92 D 4.7759 7.7408 115.5017 52.5141 42.8097 173.5631 93 N 5.2559 8.7447 114.7616 51.7896 41.0169 174.1011 94 A 5.2261 8.8657 124.0164 50.6513 23.4380 174.4792 95 A 5.0190 8.9333 120.1466 50.5037 23.7400 175.1826 96 V 4.5494 8.4306 119.0394 60.7231 34.4104 175.1876 97 I 4.2515 8.5054 128.8650 61.6843 38.0321 175.3079 98 V 4.8612 8.5593 125.7878 61.3240 35.0690 175.1688 99 D 4.7408 8.4995 125.4192 52.0419 41.5613 176.4016 100 E 3.9804 8.7093 118.6179 58.6782 29.5830 177.3254 101 N 4.7662 9.4149 115.2059 53.0084 39.1400 174.8990 102 E 3.8137 8.3269 116.6877 56.9365 27.7022 173.7732 103 D 4.8220 8.1915 118.7439 51.4649 42.0587 174.2844 104 P 4.6927 0.0000 0.0000 62.9416 31.7703 176.6008 105 R 3.9156 8.4887 122.6336 58.9779 30.2162 176.9189 106 G 3.9690 7.7260 105.6612 45.2071 0.0000 172.4677 107 T 4.4348 9.2012 114.6043 63.8773 70.1554 175.2208 108 E 4.7982 8.1090 119.2200 54.4659 33.8487 174.8385 109 L 4.8789 8.5459 122.5283 53.4520 43.8583 175.9237 110 K 4.4052 8.7601 121.7358 55.9459 34.0513 177.3933 111 G 3.9447 9.0061 110.8313 43.9055 0.0000 170.4003 112 P 4.8954 0.0000 0.0000 62.8120 32.5152 175.7075 113 I 4.7039 8.5674 119.5566 59.2492 41.9183 174.8155 114 A 4.8606 8.1522 126.2771 51.7408 19.0935 178.8399 115 R 3.9098 9.6608 120.7834 59.8235 29.0579 179.2139 116 E 3.9494 8.2591 118.5462 59.1995 29.3690 179.4175 117 V 3.6893 7.9318 118.1113 65.6950 31.3558 177.9499 118 A 4.0183 7.8650 119.4115 55.2300 18.3865 178.7256 119 Q 4.0175 8.0103 116.9540 59.3203 29.1243 178.4980 120 R 3.9008 7.4451 118.3359 57.9692 31.2458 176.8416 121 F 4.7620 7.9787 121.0985 54.8239 39.0348 176.0468 122 G 3.7325 8.5829 112.2684 47.8508 0.0000 172.5524 123 S 4.1158 8.1000 117.8493 60.3787 62.6298 176.6611 124 V 3.5769 7.8582 121.2444 65.6741 31.2979 177.6194 125 A 4.0886 8.2039 120.9689 54.9277 18.1976 180.5498 126 S 4.6651 8.9112 114.1188 57.9851 62.9579 175.5200 127 A 4.5417 8.9426 123.8088 53.3185 23.0881 177.5743 128 A 4.2291 7.2727 119.0833 52.5689 18.9852 177.4459 129 T 4.3815 8.4219 117.0406 64.4167 70.2534 175.2042 130 M 4.8353 7.8304 120.3675 53.4498 35.8843 174.5374 131 I 4.9630 8.5831 124.0556 59.5360 40.1936 175.7388 132 V 4.0751 9.2199 127.0221 62.9061 31.6543 175.2301 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 8.30 4.42 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 E 8.43 3.74 0.00 1.94 1.76 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 2.24 2.33 0.00 3 A 8.74 4.02 1.25 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 4 L 8.52 3.95 0.00 1.62 1.71 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.34 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 6 A 7.32 4.63 1.22 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 7 D 9.04 4.77 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.62 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 0.84 0.00 0.00 0.96 0.00 0.00 9 T 7.86 4.45 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 1.22 0.00 0.00 10 Q 8.78 3.91 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 11 G 9.03 4.10 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 0.00 0.00 0.00 12 L 8.19 5.08 0.00 1.65 1.48 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.77 5.08 0.00 1.84 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 2.18 2.19 0.00 14 K 8.43 4.06 0.00 1.71 1.71 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 15 G 9.90 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 16 S 7.83 4.31 0.00 3.83 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 17 L 8.42 5.20 0.00 1.50 1.58 0.95 0.76 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 18 I 9.15 4.74 2.01 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 1.36 0.88 0.88 0.00 0.00 19 T 8.61 4.25 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 1.21 0.00 0.00 20 C 8.38 4.85 0.00 2.99 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 21 A 8.16 4.52 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 22 D 7.65 5.36 0.00 2.79 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 23 N 8.39 5.04 0.00 2.81 2.89 0.00 0.00 5.95 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 24 T 8.57 3.97 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 25 G 8.34 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 26 A 7.45 4.72 1.22 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 27 R 9.10 4.44 0.00 1.83 1.95 0.00 3.06 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 1.56 1.54 0.00 28 E 8.01 5.10 0.00 1.98 1.80 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 2.24 2.42 0.00 29 L 9.20 5.19 0.00 1.51 1.48 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.78 4.92 0.00 1.77 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 V 8.87 3.99 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.55 4.36 1.99 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 1.22 0.89 0.91 0.00 0.00 33 S 7.76 4.72 0.00 3.74 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 34 V 8.16 4.60 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 1.00 0.00 0.00 0.84 0.00 0.00 35 H 9.09 4.28 0.00 3.19 3.33 0.00 6.11 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 36 G 8.50 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 37 Y 7.60 4.47 0.00 2.95 3.03 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 38 S 6.93 4.26 0.00 3.65 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 39 G 7.81 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 40 T 8.25 4.50 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 1.23 0.00 0.00 41 K 8.49 3.82 0.00 1.75 1.75 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.98 4.49 0.00 2.95 3.01 0.00 0.00 7.06 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 43 R 7.93 4.10 0.00 1.81 2.08 0.00 3.36 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.47 4.21 0.00 1.68 1.60 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.49 0.00 2.07 2.39 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 46 K 7.81 5.13 0.00 1.70 1.70 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.01 1.17 7.81 47 A 9.12 4.73 1.11 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 48 G 9.18 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 0.00 0.00 0.00 0.00 49 L 8.05 3.98 0.00 1.70 1.71 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.95 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 51 D 7.91 4.73 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.68 4.84 0.00 1.89 1.71 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.38 1.48 7.81 53 I 8.73 5.07 1.96 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 1.29 0.61 0.88 0.00 0.00 54 T 8.69 4.72 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 1.26 0.00 0.00 55 V 9.53 4.96 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 1.07 0.00 0.00 0.89 0.00 0.00 56 S 8.66 5.09 0.00 3.90 3.63 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 57 V 8.33 4.23 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 0.96 0.00 0.00 0.91 0.00 0.00 58 T 8.81 4.09 4.35 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 1.34 0.00 0.00 59 K 9.13 4.56 0.00 1.72 1.64 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.30 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.09 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 1.25 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.18 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.09 4.10 0.00 1.93 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 2.31 2.34 0.00 64 M 7.85 4.17 0.00 2.02 2.09 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 2.71 2.67 0.00 65 R 7.76 3.95 0.00 1.89 2.03 0.00 3.36 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 66 R 8.89 3.99 0.00 1.99 2.07 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.88 4.17 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.31 4.33 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.90 4.91 0.00 1.54 1.48 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.49 4.75 0.00 2.00 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 2.27 0.00 71 A 8.65 4.94 1.14 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 0.00 0.00 72 V 8.34 4.53 1.72 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 0.67 0.00 0.00 -0.09 0.00 0.00 73 V 8.45 4.05 2.19 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 0.84 0.00 0.00 0.89 0.00 0.00 74 V 8.79 4.15 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 0.77 0.00 0.00 0.92 0.00 0.00 75 R 7.46 4.17 0.00 1.48 1.19 0.00 3.09 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.31 0.00 76 Q 8.23 5.05 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 77 R 9.22 4.33 0.00 1.84 2.06 0.00 3.14 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 78 K 7.89 4.23 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.55 7.81 79 P 0.00 4.91 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.96 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 80 I 8.58 4.94 2.04 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 1.38 0.86 0.99 0.00 0.00 81 R 9.04 4.99 0.00 1.85 1.80 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 R 8.64 4.74 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 83 P 0.00 4.14 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 84 D 8.06 4.60 0.00 2.78 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 85 G 8.68 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 0.00 0.00 0.00 86 T 7.69 4.09 4.30 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 1.19 0.00 0.00 87 R 8.44 5.08 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.69 4.53 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.24 4.96 0.00 1.92 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.88 4.69 0.00 3.32 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 91 E 9.02 4.10 0.00 1.98 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 0.00 2.32 2.27 0.00 92 D 7.74 4.78 0.00 2.67 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 93 N 8.74 5.26 0.00 2.62 2.72 0.00 0.00 6.48 7.08 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 94 A 8.87 5.23 1.11 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 95 A 8.93 5.02 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 96 V 8.43 4.55 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 0.91 0.00 0.00 0.87 0.00 0.00 97 I 8.51 4.25 1.83 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 1.07 0.34 0.87 0.00 0.00 98 V 8.56 4.86 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 0.67 0.00 0.00 0.80 0.00 0.00 99 D 8.50 4.74 0.00 2.93 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 0.00 100 E 8.71 3.98 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 101 N 9.41 4.77 0.00 2.85 2.81 0.00 0.00 7.05 7.54 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 0.00 102 E 8.33 3.81 0.00 2.26 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 0.00 2.26 2.33 0.00 103 D 8.19 4.82 0.00 2.95 2.57 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 0.00 104 P 0.00 4.69 0.00 2.15 2.03 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 105 R 8.49 3.92 0.00 1.78 1.96 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.73 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 0.00 107 T 9.20 4.43 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 1.21 0.00 0.00 108 E 8.11 4.80 0.00 1.85 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 2.28 2.31 0.00 109 L 8.55 4.88 0.00 1.51 1.56 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.76 4.41 0.00 1.59 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.34 7.81 111 G 9.01 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 0.00 112 P 0.00 4.90 0.00 2.30 2.17 0.00 3.77 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 2.18 2.14 0.00 113 I 8.57 4.70 1.89 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 1.11 0.82 0.91 0.00 0.00 114 A 8.15 4.86 1.46 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 0.00 115 R 9.66 3.91 0.00 2.03 2.26 0.00 2.81 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.26 3.95 0.00 2.12 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 0.00 2.43 2.46 0.00 117 V 7.93 3.69 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 1.32 0.00 0.00 1.01 0.00 0.00 118 A 7.86 4.02 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 0.00 119 Q 8.01 4.02 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 120 R 7.45 3.90 0.00 1.57 1.37 0.00 3.04 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.29 0.00 121 F 7.98 4.76 0.00 3.17 2.93 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 0.00 122 G 8.58 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 0.00 0.00 0.00 123 S 8.10 4.12 0.00 4.09 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 0.00 124 V 7.86 3.58 2.41 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 1.04 0.00 0.00 0.88 0.00 0.00 125 A 8.20 4.09 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 0.00 126 S 8.91 4.67 0.00 4.03 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 0.00 127 A 8.94 4.54 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 0.00 128 A 7.27 4.23 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 0.00 129 T 8.42 4.38 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 0.00 130 M 7.83 4.84 0.00 1.95 1.94 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 2.59 2.56 0.00 131 I 8.58 4.96 1.90 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 1.26 0.64 0.97 0.00 0.00 132 V 9.22 4.08 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 0.90 0.00 0.00 1.00 0.00 0.00