NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7226 8.0549 120.2776 61.2252 32.5538 174.3739 2 E 4.2933 8.3327 123.7603 53.7384 31.1762 173.9655 3 W 5.0012 8.4612 124.4644 55.7978 31.8756 176.5126 4 T 4.5331 8.8124 112.7122 60.8291 71.0678 175.9015 5 D 4.3900 8.5789 121.7442 57.4861 40.8278 178.8968 6 K 3.9006 8.1268 119.5556 59.6164 32.1999 178.4199 7 E 4.0622 8.2614 118.6676 59.6717 29.4094 179.5857 8 R 3.7307 8.1815 118.0365 59.1703 30.0024 179.1424 9 S 4.0623 8.3317 113.1391 61.2620 62.3381 176.2324 10 I 3.6957 8.1368 122.9073 64.5672 36.9109 178.4524 11 I 3.8155 7.6565 120.5070 64.3415 36.8588 178.3555 12 S 4.0696 8.2115 114.0856 61.3990 62.1932 175.6593 13 D 4.3129 8.2634 120.5867 57.5287 40.8098 178.0115 14 I 3.5936 7.8304 119.1506 64.7569 37.3433 178.2344 15 F 4.1872 8.5199 118.2767 59.9783 38.5394 177.8240 16 S 4.3252 8.1438 112.9752 60.4678 63.0540 174.5018 17 H 4.6919 7.6096 117.2906 55.3457 29.2680 174.4503 18 M 3.7304 7.4804 121.0982 55.7044 32.3017 175.5000 19 D 4.7303 8.3928 126.4313 53.0199 40.6752 175.9734 20 Y 3.9688 8.7057 125.2610 60.9012 38.1648 178.1291 21 D 4.6363 7.9427 116.3667 55.8422 41.1121 177.3021 22 D 4.5723 8.2103 118.4400 56.6564 41.8043 178.1219 23 I 3.8116 7.7816 120.3988 64.0885 37.0789 178.5061 24 G 3.6974 8.0341 106.5851 47.6338 0.0000 173.9220 25 P 4.3083 0.0000 0.0000 64.9031 31.2944 178.9671 26 K 3.9291 7.7804 116.0572 59.3373 31.9078 179.3576 27 A 3.9492 8.6124 121.4392 55.0397 18.2638 179.5113 28 L 3.8983 7.9632 118.9606 58.2078 42.0192 179.2622 29 S 3.9892 8.3099 115.5496 61.6641 62.8056 176.7263 30 R 3.7985 8.1742 121.5203 59.3285 29.7105 178.0500 31 C 4.1046 8.2331 118.6881 62.5864 31.7569 175.6822 32 L 3.9149 7.9627 121.5892 56.4765 40.8073 179.4183 33 I 3.7429 7.0045 119.0857 63.8909 37.6385 178.1239 34 V 3.4710 7.7136 117.7596 64.6563 32.7304 175.7517 35 Y 3.8501 7.4583 115.6685 54.4923 38.2803 174.0880 36 P 4.7536 0.0000 0.0000 63.8171 31.9928 178.2858 37 W 4.3630 7.6176 116.9435 59.2618 28.3207 177.5019 38 T 4.2129 7.7021 110.6362 63.5257 68.3535 175.7450 39 Q 4.4597 7.9356 121.1528 57.4157 28.4497 177.4998 40 R 3.8798 7.6983 120.2922 59.0776 29.9010 176.2352 41 H 4.6743 7.1730 112.2604 55.4408 29.0990 174.8526 42 F 4.0631 7.8323 116.2099 56.8333 39.8626 176.9694 43 S 4.0479 8.1747 114.4102 62.7347 62.3403 175.4445 44 G 3.9331 8.1379 106.8688 45.6966 0.0000 174.4846 45 F 4.2208 8.6408 118.8173 57.8324 38.9536 173.7918 46 G 3.6903 7.4266 105.1345 43.5342 0.0000 173.0555 47 N 4.6312 8.7002 117.6572 53.8352 38.6497 174.9650 48 L 4.8545 8.3849 129.7675 54.6853 42.4711 177.6304 49 Y 4.1507 8.4953 114.8416 58.5781 38.4923 175.4790 50 N 5.0617 7.6645 117.9795 50.9570 42.1717 174.9741 51 A 3.9552 8.5734 125.3405 55.4905 18.6486 180.1623 52 E 3.8941 8.7662 117.1369 59.1003 29.2790 179.2446 53 A 4.1468 8.0398 119.5574 54.4199 18.8586 179.4547 54 I 3.8143 7.7622 118.8790 64.7708 37.1346 178.6601 55 I 3.8732 7.8597 119.2867 63.6820 36.9471 177.7610 56 G 4.0143 7.7043 103.9879 43.6282 0.0000 172.7964 57 N 4.6610 7.6882 121.2951 52.3919 39.6439 175.6807 58 A 4.0670 8.6188 128.1273 55.0234 18.5356 178.9873 59 N 4.2158 8.2213 114.8516 56.3866 38.7021 177.5448 60 V 3.6195 8.6083 119.6740 66.0686 31.1605 177.9543 61 A 4.0311 8.3329 120.4396 55.1190 18.0732 179.4921 62 A 4.0262 8.7607 119.8669 55.6053 18.4748 179.3512 63 H 4.4200 8.9253 116.9598 59.0015 29.9775 177.7278 64 G 3.7307 8.2749 107.8844 47.5339 0.0000 175.9683 65 I 3.8994 7.6061 121.5543 64.0155 37.1368 178.1650 66 K 3.9692 7.8735 120.6827 59.6835 31.8322 178.8964 67 V 3.6742 7.5902 116.9201 66.0503 31.7934 177.3638 68 L 4.2646 8.2342 120.0414 58.6017 41.9767 178.5761 69 H 4.9176 8.7869 115.9794 58.1817 28.4715 177.5419 70 G 3.9218 8.2129 106.8771 46.9495 0.0000 174.9449 71 L 4.7363 8.0524 122.2002 56.2253 41.8316 178.6568 72 D 4.3286 8.2398 119.8277 57.4127 40.8416 178.8754 73 R 4.0196 8.1553 116.0993 59.2842 29.0106 178.9904 74 G 3.8657 8.2554 105.3181 47.5973 0.0000 175.3106 75 V 3.4112 7.4909 119.6679 65.5499 31.4962 177.5643 76 K 4.1434 7.9080 117.7448 57.3080 33.2217 176.4033 77 N 5.1243 7.7987 116.8727 52.8231 38.9040 176.1978 78 M 4.2717 8.0712 118.4757 58.0581 32.6130 177.6856 79 D 5.0500 8.1205 115.6657 54.2356 41.6649 175.6289 80 N 5.1613 8.1227 118.8095 52.8880 39.9412 176.7796 81 I 3.9336 8.2551 119.3936 63.9347 37.1792 177.2102 82 A 4.0415 8.1054 119.9500 55.3516 18.5878 179.0811 83 A 4.1107 7.9977 118.5601 55.6532 18.3138 179.7910 84 T 3.7638 7.8688 113.2093 66.6723 68.7057 175.6405 85 Y 4.2110 8.1293 116.0385 58.0645 38.1566 177.0927 86 A 4.0624 7.7455 123.3187 55.5720 18.4722 179.6639 87 D 4.3339 8.0241 116.6586 57.5004 40.9103 178.8524 88 L 4.1100 7.8908 119.1074 57.7203 41.7113 179.3245 89 S 4.2903 8.5541 113.6112 61.8611 62.3304 176.4423 90 T 3.8341 8.0649 118.4350 66.1124 68.1013 176.6171 91 L 3.8792 8.0213 122.4525 58.6269 42.2032 178.8248 92 H 4.2027 8.5162 116.3001 58.7172 28.4977 177.9059 93 S 3.4644 7.9265 114.8890 61.0345 62.0044 175.5751 94 E 4.1156 7.9232 118.6067 56.9421 29.9456 178.0546 95 K 4.1744 7.6179 117.6704 58.2652 32.9544 178.1164 96 L 4.4024 7.6212 115.5445 53.7617 42.8086 176.1930 97 H 4.1907 7.3611 113.9498 56.4838 26.8118 174.9577 98 V 3.5879 7.8891 119.5524 62.1746 31.7424 175.0622 99 D 4.2910 8.8057 127.5067 53.8769 41.4589 175.0921 100 P 3.2571 0.0000 0.0000 64.5474 31.7070 177.8379 101 D 4.2887 8.1862 118.8267 57.1516 40.8505 177.6628 102 N 4.3962 8.0949 117.1092 55.9956 38.3178 177.2481 103 F 4.4595 7.5890 119.6170 60.4613 38.8539 177.7684 104 K 4.0079 8.0378 117.7564 59.3039 31.9977 179.3198 105 L 3.7631 7.6415 119.2308 57.6123 41.4733 179.1909 106 L 4.0313 8.1953 120.5389 58.3650 41.9995 178.9740 107 S 4.2023 8.3724 115.1952 62.0668 62.8063 176.6508 108 D 4.4914 8.5183 121.4024 57.3407 40.4037 178.7595 109 C 4.1955 8.0834 117.3970 62.7922 28.2000 175.9651 110 I 3.7256 8.1993 121.8083 64.7093 36.7151 178.3502 111 T 4.0564 8.2645 116.5634 67.0912 68.3653 176.6460 112 I 3.6759 7.7794 121.4276 64.2205 37.1177 178.7517 113 V 3.4689 8.0878 119.6190 65.7245 31.2756 177.8392 114 L 3.6025 8.1698 120.3103 57.9402 41.8217 178.7170 115 A 2.8369 7.7417 120.6650 54.7352 17.9178 179.5327 116 A 3.8412 7.4532 118.4774 54.9309 18.5195 179.5068 117 K 3.9370 7.6351 117.2922 59.8974 32.5096 178.6770 118 M 4.1782 8.2822 118.4600 54.1903 32.3237 178.4574 119 G 3.8860 8.4450 107.4573 47.1403 0.0000 177.4224 120 H 4.2209 9.1705 122.1905 57.5792 28.7905 176.1608 121 A 4.0856 7.6316 121.8301 54.5098 18.8070 178.0515 122 F 4.4049 7.6745 119.9014 57.4562 37.8150 174.5671 123 T 4.1436 7.2451 115.5245 60.8261 71.4635 175.1084 124 A 3.8949 8.3349 121.9965 55.4268 18.3019 179.4016 125 E 3.8978 8.0290 117.2415 59.5198 29.6861 179.0260 126 T 3.7400 7.6592 115.9295 66.6376 68.4382 176.4979 127 Q 3.6571 7.9481 121.9259 58.7363 28.9372 178.6327 128 G 3.5684 8.0209 106.7004 47.6800 0.0000 175.5945 129 A 4.1913 8.0126 123.7665 54.8098 18.4504 179.4828 130 F 4.2564 8.5658 119.3602 61.7794 39.4501 177.4346 131 Q 4.0932 8.6788 117.8438 58.5608 28.4320 178.6727 132 K 3.9591 8.2779 120.9853 59.3600 32.2953 178.5017 133 F 4.5253 8.6224 120.9345 61.6850 39.2849 177.1156 134 L 3.6536 7.9386 118.2349 57.4430 41.2606 179.3345 135 A 3.8829 8.1611 121.0132 55.2488 18.3313 179.9183 136 V 3.4207 7.7136 116.6912 66.0599 31.6185 178.4808 137 V 3.0866 7.4485 118.0756 65.6066 31.1656 178.2279 138 V 3.3704 8.1662 118.7411 65.7347 31.0943 177.8870 139 S 4.0220 7.9397 112.0561 61.3308 62.6144 175.7360 140 A 4.1245 7.8424 123.3765 55.2173 17.9218 179.6421 141 L 4.0664 7.7367 116.2890 56.7714 41.3439 178.8147 142 G 4.0178 7.6441 103.7623 44.6877 0.0000 175.4418 143 K 4.1791 7.8080 121.8506 58.9676 32.2349 177.0231 144 Q 4.5299 8.1275 116.5239 55.9680 28.7391 174.8046 145 Y 4.2651 7.7882 116.5661 57.4294 38.2668 175.5134 146 H 4.5670 8.3299 119.7704 55.7590 28.8290 173.1136 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 V 8.05 3.72 1.69 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 0.68 0.00 0.00 -0.49 0.00 0.00 2 E 8.33 4.29 0.00 1.93 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 2.15 2.31 0.00 3 W 8.46 5.00 0.00 3.30 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 4 T 8.81 4.53 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 1.27 0.00 0.00 5 D 8.58 4.39 0.00 2.74 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 6 K 8.13 3.90 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.62 7.81 7 E 8.26 4.06 0.00 2.54 2.35 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 2.53 2.50 0.00 8 R 8.18 3.73 0.00 1.97 1.88 0.00 3.15 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.90 0.00 9 S 8.33 4.06 0.00 3.89 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 10 I 8.14 3.70 2.03 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 1.52 0.59 0.95 0.00 0.00 11 I 7.66 3.82 1.64 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.38 0.00 0.00 12 S 8.21 4.07 0.00 3.95 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 13 D 8.26 4.31 0.00 2.97 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 14 I 7.83 3.59 1.99 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 1.42 0.80 0.36 0.00 0.00 15 F 8.52 4.19 0.00 3.15 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 16 S 8.14 4.33 0.00 4.01 4.07 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 17 H 7.61 4.69 0.00 3.10 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.48 3.73 0.00 1.86 1.71 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.81 0.00 19 D 8.39 4.73 0.00 2.80 2.53 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 0.00 0.00 0.00 0.00 20 Y 8.71 3.97 0.00 3.06 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 21 D 7.94 4.64 0.00 2.76 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 22 D 8.21 4.57 0.00 2.89 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 23 I 7.78 3.81 1.72 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 1.54 0.61 0.80 0.00 0.00 24 G 8.03 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 0.00 0.00 0.00 25 P 0.00 4.31 0.00 2.17 2.12 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 26 K 7.78 3.93 0.00 2.02 1.81 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 27 A 8.61 3.95 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 28 L 7.96 3.90 0.00 1.82 1.64 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.31 3.99 0.00 4.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.17 3.80 0.00 1.93 2.04 0.00 3.05 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 31 C 8.23 4.10 0.00 3.18 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 32 L 7.96 3.91 0.00 1.70 1.53 0.44 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.00 3.74 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.80 0.00 0.00 34 V 7.71 3.47 1.48 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 -0.24 0.00 0.00 0.72 0.00 0.00 35 Y 7.46 3.85 0.00 2.60 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 36 P 0.00 4.75 0.00 2.20 2.17 0.00 3.47 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 2.07 1.78 0.00 37 W 7.62 4.36 0.00 3.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.21 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 1.12 0.00 0.00 39 Q 7.94 4.46 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 40 R 7.70 3.88 0.00 1.97 1.68 0.00 3.21 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 41 H 7.17 4.67 0.00 2.36 2.78 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.83 4.06 0.00 2.74 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 0.00 0.00 0.00 43 S 8.17 4.05 0.00 4.04 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 44 G 8.14 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 0.00 0.00 0.00 45 F 8.64 4.22 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.43 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 0.00 0.00 0.00 47 N 8.70 4.63 0.00 2.76 2.85 0.00 0.00 6.73 7.78 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 48 L 8.38 4.85 0.00 1.64 1.57 0.85 0.91 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 49 Y 8.50 4.15 0.00 3.03 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 50 N 7.66 5.06 0.00 2.84 2.64 0.00 0.00 7.03 7.57 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 51 A 8.57 3.96 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 52 E 8.77 3.89 0.00 2.18 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 2.32 2.46 0.00 53 A 8.04 4.15 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 54 I 7.76 3.81 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.81 0.00 0.00 55 I 7.86 3.87 1.88 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 1.41 0.69 0.89 0.00 0.00 56 G 7.70 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 57 N 7.69 4.66 0.00 3.04 2.83 0.00 0.00 7.05 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 58 A 8.62 4.07 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 59 N 8.22 4.22 0.00 3.04 2.38 0.00 0.00 6.79 7.68 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 60 V 8.61 3.62 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 0.87 0.00 0.00 0.88 0.00 0.00 61 A 8.33 4.03 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 62 A 8.76 4.03 1.40 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 0.00 0.00 63 H 8.93 4.42 0.00 3.79 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.27 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 65 I 7.61 3.90 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 1.11 0.00 0.00 66 K 7.87 3.97 0.00 1.83 1.84 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 67 V 7.59 3.67 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 0.99 0.00 0.00 1.07 0.00 0.00 68 L 8.23 4.26 0.00 2.04 2.00 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.79 4.92 0.00 3.54 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.05 4.74 0.00 2.19 2.03 1.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.24 4.33 0.00 2.84 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 73 R 8.16 4.02 0.00 1.88 2.09 0.00 2.21 0.00 0.00 2.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 0.00 74 G 8.26 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 0.00 0.00 0.00 75 V 7.49 3.41 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 0.54 0.00 0.00 -0.24 0.00 0.00 76 K 7.91 4.14 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.44 7.81 77 N 7.80 5.12 0.00 2.98 2.76 0.00 0.00 6.84 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 78 M 8.07 4.27 0.00 1.53 1.99 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 79 D 8.12 5.05 0.00 2.75 2.78 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 80 N 8.12 5.16 0.00 2.79 2.72 0.00 0.00 7.19 7.25 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 81 I 8.26 3.93 1.99 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 1.79 1.20 0.95 0.00 0.00 82 A 8.11 4.04 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 83 A 8.00 4.11 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 84 T 7.87 3.76 4.27 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 0.87 0.00 0.00 85 Y 8.13 4.21 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.75 4.06 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 87 D 8.02 4.33 0.00 2.68 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 88 L 7.89 4.11 0.00 1.99 1.85 1.01 0.89 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 89 S 8.55 4.29 0.00 4.04 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 90 T 8.06 3.83 4.36 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 1.22 0.00 0.00 91 L 8.02 3.88 0.00 1.86 1.96 0.89 0.81 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 92 H 8.52 4.20 0.00 3.62 3.82 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.93 3.46 0.00 2.72 3.46 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 94 E 7.92 4.12 0.00 1.99 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 2.17 2.14 0.00 95 K 7.62 4.17 0.00 1.82 1.74 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 96 L 7.62 4.40 0.00 1.74 1.63 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.36 4.19 0.00 3.48 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 3.59 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 0.38 0.00 0.00 0.73 0.00 0.00 99 D 8.81 4.29 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 0.00 100 P 0.00 3.26 0.00 2.01 1.54 0.00 3.49 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.29 0.00 101 D 8.19 4.29 0.00 2.72 2.68 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 0.00 102 N 8.09 4.40 0.00 2.68 2.81 0.00 0.00 6.86 7.67 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 0.00 103 F 7.59 4.46 0.00 3.12 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 0.00 104 K 8.04 4.01 0.00 1.85 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.50 7.81 105 L 7.64 3.76 0.00 1.63 1.06 0.97 0.21 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 0.00 106 L 8.20 4.03 0.00 1.84 1.84 1.00 1.38 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 0.00 107 S 8.37 4.20 0.00 4.15 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 0.00 108 D 8.52 4.49 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.08 4.20 0.00 3.24 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 0.00 110 I 8.20 3.73 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 1.13 0.00 0.00 111 T 8.26 4.06 4.59 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 1.55 0.00 0.00 112 I 7.78 3.68 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.86 0.00 0.00 113 V 8.09 3.47 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 0.90 0.00 0.00 0.90 0.00 0.00 114 L 8.17 3.60 0.00 1.40 1.25 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.74 2.84 0.97 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 0.00 116 A 7.45 3.84 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 0.00 117 K 7.64 3.94 0.00 1.64 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 118 M 8.28 4.18 0.00 2.12 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 2.53 2.46 0.00 119 G 8.44 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 0.00 0.00 0.00 120 H 9.17 4.22 0.00 3.14 3.41 0.00 5.90 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 0.00 121 A 7.63 4.09 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 0.00 122 F 7.67 4.40 0.00 2.84 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 0.00 123 T 7.25 4.14 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 1.24 0.00 0.00 124 A 8.33 3.89 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 0.00 125 E 8.03 3.90 0.00 2.03 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 2.36 2.40 0.00 126 T 7.66 3.74 4.05 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 1.02 0.00 0.00 127 Q 7.95 3.66 0.00 1.36 2.06 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 2.43 2.62 0.00 128 G 8.02 3.57 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 0.00 129 A 8.01 4.19 1.48 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 0.00 130 F 8.57 4.26 0.00 3.26 3.23 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 0.00 131 Q 8.68 4.09 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 132 K 8.28 3.96 0.00 2.04 2.25 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.36 1.37 7.81 133 F 8.62 4.53 0.00 3.20 3.22 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 0.00 134 L 7.94 3.65 0.00 1.64 1.59 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.16 3.88 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 0.00 136 V 7.71 3.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.89 0.00 0.00 137 V 7.45 3.09 1.60 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 -0.03 0.00 0.00 0.02 0.00 0.00 138 V 8.17 3.37 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 0.96 0.00 0.00 0.94 0.00 0.00 139 S 7.94 4.02 0.00 3.91 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 0.00 140 A 7.84 4.12 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 0.00 141 L 7.74 4.07 0.00 1.15 0.79 0.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.64 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.81 4.18 0.00 2.10 1.91 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 144 Q 8.13 4.53 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 145 Y 7.79 4.27 0.00 3.12 2.95 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 0.00 146 H 8.33 4.57 0.00 3.21 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00