NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2849 8.3149 121.7948 55.7120 33.3675 175.5742 7 L 4.2256 8.3840 125.2723 53.6269 42.2694 174.7487 8 H 5.0546 9.1897 116.4414 54.0743 32.3285 172.8097 9 K 4.5790 8.6941 120.7895 56.1983 33.2258 176.0315 10 E 4.9811 9.2363 122.6264 53.6796 33.6215 173.7971 11 P 4.9649 0.0000 0.0000 63.3407 32.3222 175.0456 12 A 4.8644 8.2988 121.2702 51.4165 22.8440 175.6130 13 T 4.6440 8.4626 115.4522 61.2257 72.0189 173.8778 14 L 4.2236 8.6572 127.6594 55.9141 42.4747 175.4899 15 I 4.3816 8.5692 125.5611 62.1594 39.0927 176.0170 16 K 4.5118 7.5493 120.5075 55.2240 35.5473 174.1587 17 A 4.4353 8.7725 130.9179 52.2510 19.1023 176.8785 18 I 4.2496 8.1082 122.7365 62.3891 39.1367 174.8403 19 D 4.4481 7.5793 117.4107 53.3367 43.8456 175.7383 20 G 3.8792 8.9859 109.3309 48.0647 0.0000 173.9885 21 D 4.9647 8.0848 116.1901 52.7487 40.2375 174.8230 22 T 5.1999 7.8348 115.3404 62.4505 72.8875 173.2866 23 V 4.7132 8.8918 118.8471 59.3731 36.0984 174.3949 24 K 4.9735 9.3532 126.3757 55.5642 33.6109 175.4485 25 I 5.0520 9.0715 127.4712 59.6873 42.2552 174.2269 26 M 4.7412 9.3777 125.9926 55.2782 33.1956 174.2227 27 Y 4.9135 9.2113 128.8525 55.9444 41.5386 175.8480 28 K 3.6099 9.3522 127.3800 57.4369 29.7361 176.1270 29 G 4.0278 8.4425 105.9547 44.9815 0.0000 173.4180 30 Q 4.8209 7.8437 117.9270 53.4742 31.7190 173.4053 31 P 4.9794 0.0000 0.0000 63.1232 32.1979 175.6964 32 M 4.9867 9.2641 123.0426 54.0684 37.1063 174.1920 33 T 4.8241 8.5735 118.8798 63.0976 70.3893 173.5723 34 F 4.9617 9.5882 125.2647 55.5881 42.2506 174.2249 35 R 4.9470 8.8465 123.8599 54.5318 31.9452 175.2146 36 L 4.3874 8.7300 127.5850 54.3890 42.3541 177.3256 37 L 3.9118 8.4611 124.7747 56.1395 42.1994 178.1793 38 L 4.0667 8.8896 120.6480 54.8704 39.2875 174.0561 39 V 5.0217 7.3150 109.6803 59.5375 35.5470 174.7975 40 D 5.0453 9.3703 123.8887 52.8503 43.2815 175.3806 41 T 4.7739 8.4211 113.8886 59.2143 70.8012 173.1391 42 P 4.4234 0.0000 0.0000 62.9663 32.3326 175.5370 43 E 4.7630 10.4045 121.5885 54.9804 32.1569 176.8988 44 T 4.3450 8.3257 109.5966 62.1783 70.4930 175.2436 45 K 4.6192 7.6931 119.6981 55.6018 32.3013 175.7181 46 H 4.8105 8.3585 119.6587 55.2937 31.1941 173.8405 47 P 4.2140 0.0000 0.0000 65.3785 31.4441 176.7426 48 K 4.4061 7.9696 113.5568 57.8943 33.6852 177.6153 49 K 4.1463 8.2168 117.6778 57.2563 34.2464 176.9004 50 G 4.0105 8.0272 103.4007 44.3934 0.0000 175.8701 51 V 4.3804 8.2106 120.5326 60.6969 30.4768 174.1130 52 E 4.2078 8.7692 125.3657 54.7311 30.4278 176.3457 53 K 4.1371 8.1842 121.8080 58.0083 32.6681 176.5626 54 Y 4.1703 7.9954 122.0255 59.4585 35.7252 171.1462 55 G 3.6001 8.1218 107.7398 47.4021 0.0000 174.1798 56 P 4.2832 0.0000 0.0000 65.0550 31.3052 178.6783 57 E 4.0034 8.1568 116.6725 59.3404 29.5337 178.9905 58 A 4.0401 8.5085 121.3303 55.2470 18.4976 179.6827 59 S 4.1542 8.3999 111.5735 61.4428 62.3941 176.2622 60 A 4.0759 8.3877 123.7785 54.7093 18.1116 179.4068 61 F 3.9502 8.3706 119.3377 61.8549 39.4844 177.3700 62 T 3.9200 8.2421 115.3272 66.5225 68.2655 176.3568 63 K 3.8588 7.9615 121.1719 59.4588 32.2436 178.6023 64 K 3.8192 8.1391 119.9509 59.7085 31.8459 178.4097 65 M 3.8472 7.5979 117.1686 58.7402 32.0107 178.3032 66 V 3.8142 8.1216 112.7312 63.9876 31.5600 178.4733 67 E 4.0223 8.6292 118.2793 58.9344 29.3630 178.0295 68 N 4.6387 7.9642 113.4647 52.3408 39.2624 175.2036 69 A 4.4638 6.9773 123.7301 51.7033 19.3375 178.3912 70 K 4.1682 9.1303 121.6862 58.5253 32.6181 178.1214 71 K 4.6503 8.7603 118.2171 54.3282 35.7317 175.2964 72 L 5.2455 8.5596 126.2681 53.4144 44.8467 174.7317 73 E 5.1671 9.1844 123.7495 54.7440 34.3128 174.8160 74 V 4.6732 9.0668 115.2119 59.5419 35.2618 174.7448 75 E 5.0173 8.9254 124.3558 54.4495 32.1250 175.0219 76 F 4.6994 8.8588 125.6850 57.5807 40.1685 175.7930 77 D 4.9637 8.5012 120.6276 53.4886 43.1858 175.7531 78 K 4.4293 8.8923 117.0060 57.5071 34.0136 177.8237 79 G 4.1876 8.3196 111.9461 44.8649 0.0000 173.7713 80 Q 4.0823 8.6338 121.9088 56.6908 29.2832 176.6298 81 R 4.7293 8.4114 117.5594 56.4408 31.6387 175.5491 82 T 5.1597 7.6562 108.4318 60.0439 72.3605 173.1893 83 D 5.0055 8.4490 123.1941 51.5983 42.2593 176.8999 84 K 3.8790 8.6466 116.4631 59.3168 32.5769 176.9523 85 Y 4.3312 8.2362 116.5655 57.7406 37.9391 176.4533 86 G 3.9446 8.4554 108.8569 45.1594 0.0000 173.9263 87 R 4.3583 7.9049 119.1142 54.9756 31.8456 176.3087 88 G 3.1072 8.2849 110.8714 46.1079 0.0000 172.3846 89 L 5.2904 8.6252 123.8491 53.1771 43.3990 175.6293 90 A 4.3955 8.3031 124.5398 51.1498 23.6132 174.1071 91 Y 4.8989 8.6648 117.6489 57.3113 39.7255 175.0963 92 I 4.8302 8.6155 124.6462 59.7045 40.1633 174.1028 93 Y 5.1398 9.0259 123.8812 56.0493 41.1094 174.4800 94 A 4.9061 9.0591 125.9253 50.2112 21.3298 176.4030 95 D 4.2962 9.8701 125.8263 55.8336 38.9927 175.3977 96 G 3.9727 8.2675 104.7534 45.3539 0.0000 173.0727 97 K 4.5072 7.9621 120.4957 54.6994 33.6747 175.3390 98 M 3.9988 8.5624 123.7467 55.0153 33.0294 176.8031 99 V 3.6328 8.6558 127.5202 66.1997 31.4059 177.6795 100 N 4.3315 8.0009 115.7374 56.3305 38.4759 176.8499 101 E 3.8869 8.0690 119.9433 59.0908 29.8532 178.2292 102 A 4.0870 8.1746 120.9211 55.3703 18.3472 179.5972 103 L 3.5228 7.9654 117.2738 57.8604 41.7094 180.0216 104 V 3.7454 7.4852 117.8833 65.9599 31.2640 178.0174 105 R 3.9329 8.3327 117.8389 59.2513 29.9533 177.5550 106 Q 4.3346 7.7362 115.1391 55.1076 28.9891 176.0652 107 G 3.8922 8.0736 108.5058 46.7710 0.0000 174.8473 108 L 4.5720 7.8513 116.7941 53.8201 42.3458 176.1340 109 A 4.6306 7.4765 118.7001 51.0023 22.1374 176.2079 110 K 4.8269 8.5843 119.1586 54.5564 35.2267 176.2110 111 V 4.2621 9.1608 123.5106 62.6460 31.7955 175.8877 112 A 5.0793 8.6473 130.7184 51.3958 19.3843 175.9492 113 Y 3.9022 8.4098 120.0101 57.4973 39.3772 175.1031 114 V 3.9252 7.0450 126.1094 61.5956 33.3108 174.8358 115 Y 4.7973 7.9775 121.2710 55.8429 39.8579 175.6512 116 K 4.5035 8.7021 124.6682 56.0808 32.7549 175.0010 117 P 4.8212 0.0000 0.0000 63.1768 31.9084 176.9459 118 N 4.8976 8.0567 118.3601 52.6209 36.9642 175.0943 119 N 5.1085 7.7976 112.4324 53.1690 39.4492 177.2524 120 T 3.8510 8.3506 117.1660 67.7715 68.6833 175.0023 121 H 4.8350 7.7885 116.4348 55.9253 29.0624 177.0555 122 E 3.9584 8.3967 122.9254 59.6989 29.4068 178.8921 123 Q 3.9708 8.0301 117.4811 59.1284 28.7027 177.8667 124 H 4.1597 8.2964 118.7628 59.5316 29.7318 177.1092 125 L 3.9128 8.0641 120.5098 57.8409 41.4816 179.6905 126 R 3.9015 8.3906 118.3926 58.9807 30.0230 179.3326 127 K 3.9457 8.0959 118.4838 59.6544 31.9956 179.6160 128 S 4.1363 7.8024 115.4354 61.3546 62.6995 176.3835 129 E 3.9263 8.4531 122.3670 59.1342 29.3608 178.6956 130 A 3.7780 8.0488 120.9346 54.9965 18.3920 179.4215 131 Q 3.7944 7.9449 117.5359 59.3317 29.1719 178.3958 132 A 4.0470 8.2207 121.9503 54.8796 18.3202 179.8541 133 K 3.3277 7.6694 117.3043 59.1931 31.7604 179.4503 134 K 3.8445 7.7683 118.9212 59.1459 32.1794 177.8071 135 E 4.2361 8.0255 116.0628 55.3820 29.9815 176.2285 136 K 4.0912 7.8748 117.6075 57.2736 30.4988 175.4643 137 L 4.3714 8.0875 118.2341 55.5313 44.1421 177.7888 138 N 3.9582 9.3114 119.3683 54.0489 38.1725 176.5036 139 I 2.7465 5.4200 126.3503 64.6280 37.4223 176.4888 140 W 4.8829 7.8116 117.8040 56.5823 29.2428 176.4845 141 S 4.5028 8.9321 120.4146 58.4526 62.6907 173.9431 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 6 K 8.31 4.28 0.00 1.75 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 7 L 8.38 4.23 0.00 1.85 1.74 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.19 5.05 0.00 3.12 3.24 0.00 5.71 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 9 K 8.69 4.58 0.00 1.58 1.69 0.00 1.43 0.00 0.00 1.32 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.26 7.81 10 E 9.24 4.98 0.00 2.07 1.95 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 2.34 2.24 0.00 11 P 0.00 4.96 0.00 2.08 2.06 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 12 A 8.30 4.86 1.18 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 13 T 8.46 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 1.21 0.00 0.00 14 L 8.66 4.22 0.00 1.62 1.56 0.96 1.05 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 15 I 8.57 4.38 2.01 0.00 0.00 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 1.14 0.86 0.93 0.00 0.00 16 K 7.55 4.51 0.00 1.81 1.62 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 A 8.77 4.44 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 18 I 8.11 4.25 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 1.19 0.70 0.91 0.00 0.00 19 D 7.58 4.45 0.00 2.61 2.48 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 20 G 8.99 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 21 D 8.08 4.96 0.00 2.81 2.86 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 22 T 7.83 5.20 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 23 V 8.89 4.71 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 0.68 0.00 0.00 0.95 0.00 0.00 24 K 9.35 4.97 0.00 1.90 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 25 I 9.07 5.05 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.89 0.00 0.00 26 M 9.38 4.74 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 27 Y 9.21 4.91 0.00 3.10 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 28 K 9.35 3.61 0.00 1.75 1.63 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.67 0.21 7.81 29 G 8.44 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 30 Q 7.84 4.82 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 31 P 0.00 4.98 0.00 2.01 2.08 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 32 M 9.26 4.99 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 33 T 8.57 4.82 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 1.23 0.00 0.00 34 F 9.59 4.96 0.00 2.97 2.88 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 35 R 8.85 4.95 0.00 1.89 1.78 0.00 3.33 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 1.57 1.65 0.00 36 L 8.73 4.39 0.00 1.57 1.62 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.46 3.91 0.00 1.20 1.27 0.37 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.89 4.07 0.00 2.04 1.94 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 5.02 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 0.77 0.00 0.00 0.95 0.00 0.00 40 D 9.37 5.05 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.42 4.77 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 42 P 0.00 4.42 0.00 2.31 2.07 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 43 E 10.40 4.76 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 44 T 8.33 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 1.22 0.00 0.00 45 K 7.69 4.62 0.00 1.80 1.81 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.37 7.81 46 H 8.36 4.81 0.00 3.22 3.32 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 47 P 0.00 4.21 0.00 1.84 2.03 0.00 3.19 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 48 K 7.97 4.41 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.39 7.81 49 K 8.22 4.15 0.00 1.64 1.68 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 50 G 8.03 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 51 V 8.21 4.38 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 0.84 0.00 0.00 0.98 0.00 0.00 52 E 8.77 4.21 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 53 K 8.18 4.14 0.00 1.65 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.88 1.19 7.81 54 Y 8.00 4.17 0.00 3.18 3.06 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 55 G 8.12 3.60 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.16 4.00 0.00 2.32 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 0.00 2.47 2.48 0.00 58 A 8.51 4.04 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 59 S 8.40 4.15 0.00 3.98 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 60 A 8.39 4.08 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 61 F 8.37 3.95 0.00 3.22 3.21 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 62 T 8.24 3.92 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 1.28 0.00 0.00 63 K 7.96 3.86 0.00 1.92 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.56 7.81 64 K 8.14 3.82 0.00 1.97 1.59 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.59 7.81 65 M 7.60 3.85 0.00 1.99 1.66 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 66 V 8.12 3.81 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 0.87 0.00 0.00 1.00 0.00 0.00 67 E 8.63 4.02 0.00 1.90 1.99 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 2.33 2.52 0.00 68 N 7.96 4.64 0.00 2.74 2.81 0.00 0.00 7.02 6.97 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 69 A 6.98 4.46 1.28 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 70 K 9.13 4.17 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.62 7.81 71 K 8.76 4.65 0.00 1.77 1.66 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 72 L 8.56 5.25 0.00 1.73 1.60 0.93 0.86 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 73 E 9.18 5.17 0.00 1.96 1.81 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 2.21 2.26 0.00 74 V 9.07 4.67 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 -0.03 0.00 0.00 0.65 0.00 0.00 75 E 8.93 5.02 0.00 2.27 2.32 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 2.50 2.41 0.00 76 F 8.86 4.70 0.00 3.05 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 77 D 8.50 4.96 0.00 2.68 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 78 K 8.89 4.43 0.00 1.89 1.96 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.43 7.81 79 G 8.32 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 80 Q 8.63 4.08 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 81 R 8.41 4.73 0.00 1.43 1.28 0.00 2.73 0.00 0.00 2.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 82 T 7.66 5.16 4.17 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 1.12 0.00 0.00 83 D 8.45 5.01 0.00 2.84 2.88 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 84 K 8.65 3.88 0.00 1.60 1.79 0.00 1.32 0.00 0.00 1.53 0.00 0.00 2.42 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 0.46 7.81 85 Y 8.24 4.33 0.00 3.14 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 86 G 8.46 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 87 R 7.90 4.36 0.00 2.05 1.78 0.00 3.12 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 88 G 8.28 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 0.00 0.00 0.00 89 L 8.63 5.29 0.00 1.52 1.60 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.30 4.40 1.02 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 91 Y 8.66 4.90 0.00 2.99 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 92 I 8.62 4.83 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.84 0.00 0.00 93 Y 9.03 5.14 0.00 2.89 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 94 A 9.06 4.91 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 95 D 9.87 4.30 0.00 2.74 2.69 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 96 G 8.27 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 97 K 7.96 4.51 0.00 2.07 1.77 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 98 M 8.56 4.00 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.44 0.00 99 V 8.66 3.63 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 1.03 0.00 0.00 0.92 0.00 0.00 100 N 8.00 4.33 0.00 2.90 2.92 0.00 0.00 6.78 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 0.00 101 E 8.07 3.89 0.00 1.93 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 2.24 2.14 0.00 102 A 8.17 4.09 1.61 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 0.00 103 L 7.97 3.52 0.00 1.85 1.63 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.49 3.75 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 1.04 0.00 0.00 1.00 0.00 0.00 105 R 8.33 3.93 0.00 2.01 2.08 0.00 3.34 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.74 4.33 0.00 1.64 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.37 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 107 G 8.07 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 0.00 108 L 7.85 4.57 0.00 1.28 1.50 0.48 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.63 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 0.00 110 K 8.58 4.83 0.00 1.74 1.81 0.00 1.92 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.23 7.81 111 V 9.16 4.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 112 A 8.65 5.08 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 0.00 113 Y 8.41 3.90 0.00 2.86 2.66 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 0.00 0.00 0.00 0.00 114 V 7.04 3.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 115 Y 7.98 4.80 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.70 4.50 0.00 1.80 1.78 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 117 P 0.00 4.82 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 118 N 8.06 4.90 0.00 2.97 2.89 0.00 0.00 6.61 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 0.00 119 N 7.80 5.11 0.00 2.85 2.96 0.00 0.00 6.09 7.22 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 0.00 120 T 8.35 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 1.13 0.00 0.00 121 H 7.79 4.83 0.00 2.94 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.40 3.96 0.00 2.19 1.95 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 2.29 2.34 0.00 123 Q 8.03 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 124 H 8.30 4.16 0.00 3.21 3.50 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.06 3.91 0.00 1.91 1.69 1.01 0.75 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 0.00 126 R 8.39 3.90 0.00 2.01 1.95 0.00 3.09 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 127 K 8.10 3.95 0.00 1.98 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.53 7.81 128 S 7.80 4.14 0.00 3.85 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 0.00 129 E 8.45 3.93 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.58 0.00 130 A 8.05 3.78 1.26 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 0.00 0.00 0.00 131 Q 7.94 3.79 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 132 A 8.22 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.67 3.33 0.00 1.30 1.03 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.86 7.81 134 K 7.77 3.84 0.00 1.65 2.00 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.03 4.24 0.00 1.99 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 0.00 2.31 2.44 0.00 136 K 7.87 4.09 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 137 L 8.09 4.37 0.00 1.81 1.71 1.04 0.83 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 0.00 138 N 9.31 3.96 0.00 2.62 1.43 0.00 0.00 7.11 7.32 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 0.00 139 I 5.42 2.75 1.17 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.15 -0.78 0.00 0.00 140 W 7.81 4.88 0.00 3.43 3.08 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 0.00 141 S 8.93 4.50 0.00 3.86 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