NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9678 8.3549 109.7405 45.3043 0.0000 176.7921 2 L 4.4478 8.7935 118.7603 50.6071 44.0737 174.8724 3 S 4.5027 9.7386 118.4446 58.0224 66.2010 174.9645 4 D 4.6676 8.7011 121.8491 57.3477 40.5179 179.2603 5 G 3.6504 8.0929 105.9126 47.8357 0.0000 175.3974 6 E 3.9080 8.3888 121.4864 58.9520 29.4910 179.4190 7 W 4.4333 8.1044 118.9736 60.0020 29.0259 178.3576 8 Q 4.1972 8.4204 119.4685 59.1547 28.4676 178.3058 9 L 4.0605 8.0279 120.2381 57.5810 41.5850 179.6874 10 V 3.7127 7.9389 118.2427 66.2143 31.6970 178.2605 11 L 4.2221 8.7514 118.9313 57.5275 41.1482 179.3266 12 N 4.4016 8.4525 116.7946 56.4130 38.8383 177.5433 13 V 3.8150 8.0236 120.4597 64.3357 31.5030 178.1790 14 W 4.0265 8.6303 129.5031 60.1064 30.3682 177.9217 15 G 3.9716 8.2028 105.6516 47.7369 0.0000 175.7494 16 K 3.8416 7.6939 119.9690 59.1521 32.1812 179.2479 17 V 2.8287 6.8445 118.0093 65.6878 31.3989 177.8011 18 E 3.8741 8.0405 117.9351 58.7282 29.0261 178.3496 19 A 4.3063 7.2725 119.0101 52.7297 20.1079 177.1356 20 D 4.5626 7.9629 115.2691 52.0622 43.3431 176.1679 21 V 3.6139 7.7139 123.9800 66.3345 32.0524 176.7761 22 A 4.2107 7.9966 120.0386 54.9436 18.3129 179.7252 23 G 3.5411 8.1497 105.6908 47.6677 0.0000 175.8063 24 H 4.1374 8.3173 118.8400 58.3430 28.6646 178.1346 25 G 3.5494 8.5072 108.0199 47.7473 0.0000 175.2832 26 Q 3.8410 8.1986 122.6830 59.0339 28.9885 178.3686 27 E 3.7972 7.9904 119.9637 58.9407 29.5087 178.8310 28 V 3.4816 7.9513 118.7170 66.0756 31.5733 178.1110 29 L 3.4254 7.6530 118.5920 57.5649 41.2588 179.5833 30 I 3.5850 7.7006 119.9667 64.2963 36.8888 178.7125 31 R 3.8309 8.0286 119.1011 58.9405 29.7885 178.8039 32 L 3.9169 7.8766 120.3148 58.3661 42.0333 179.1838 33 F 4.5416 7.9056 117.6771 60.3352 38.5846 177.8909 34 K 4.1972 8.2854 117.9254 58.9310 32.0264 179.2853 35 G 3.7596 8.1546 105.7313 46.5435 0.0000 173.7065 36 H 4.6523 8.2181 118.4599 51.8241 30.1113 171.8229 37 P 4.8751 0.0000 0.0000 64.6079 31.4903 177.5642 38 E 4.1227 8.2500 116.3236 59.4960 29.4678 179.1322 39 T 3.9311 8.4545 111.1658 64.3498 68.7903 176.2706 40 L 3.5743 7.9271 122.9510 57.8314 41.7627 178.5729 41 E 4.1409 7.9186 117.2428 58.5949 29.4431 178.6109 42 K 4.4549 8.1571 117.2517 56.8057 32.8613 177.4186 43 F 4.5289 8.2181 119.1763 55.4987 39.7631 175.5265 44 D 4.4042 8.4222 124.9609 57.1418 40.5261 178.5095 45 K 3.9422 7.8936 118.8235 58.3780 32.4567 177.6358 46 F 5.0833 7.8367 115.7419 57.1954 39.2630 177.4734 47 K 4.0589 7.6950 119.2924 59.3821 31.9160 177.5145 48 H 4.3682 8.1776 112.0504 56.3972 28.8796 175.2489 49 L 4.3594 7.5091 121.4561 54.1212 40.5541 176.6814 50 K 4.3034 8.9925 123.8574 57.0118 32.7559 177.6333 51 S 4.6789 7.4501 113.2745 55.5427 67.3031 174.2034 52 E 3.8856 8.6841 122.5123 59.7247 29.4166 178.7230 53 D 4.3805 8.0368 118.3276 57.2396 40.6590 178.4735 54 E 3.9918 8.0642 118.6134 59.5820 29.6404 178.8620 55 M 4.1229 8.3378 119.1064 58.3782 31.7966 178.9809 56 K 3.9389 8.2542 117.7258 59.0414 32.2791 178.5129 57 A 4.3879 7.6151 118.4804 51.9734 18.9740 177.2419 58 S 4.2248 7.4715 113.7760 57.6045 63.0230 174.3236 59 E 3.9583 9.0154 128.9133 59.6634 29.4999 178.4014 60 D 4.5246 8.1695 118.4680 57.2013 40.9142 178.3566 61 L 3.5041 8.2281 121.2172 57.8252 42.0039 178.9805 62 K 3.9183 7.8853 119.5045 59.3232 32.0802 179.0546 63 K 4.0526 8.3069 119.0404 59.5932 31.8815 178.8434 64 H 4.4180 8.6752 118.9091 58.9176 29.8183 177.5275 65 G 3.5944 8.3597 107.9560 47.7414 0.0000 175.1152 66 N 4.3277 8.3224 119.5910 56.7175 38.9890 177.0518 67 T 3.8677 8.0758 117.1284 66.5350 68.5273 176.6045 68 V 3.5982 8.0245 120.3998 66.3386 31.5613 178.1934 69 L 4.2352 8.1401 118.3970 57.6805 41.4771 179.4958 70 T 3.9302 8.3708 116.2532 66.6572 68.5497 176.3025 71 A 3.9870 8.0554 122.4178 55.1378 18.4582 179.4430 72 L 3.7597 8.1350 119.0651 58.1379 42.0858 179.3884 73 G 3.5230 8.6533 106.2913 47.6008 0.0000 175.8766 74 G 3.6006 7.9317 107.1724 47.5019 0.0000 175.6991 75 I 3.8126 7.5166 121.6724 64.2791 37.2158 178.4753 76 L 3.9123 7.9398 120.0945 57.7263 41.1989 179.6231 77 K 4.0554 7.8309 116.6236 58.1639 32.2453 178.4040 78 K 4.0561 7.8104 118.0049 55.0975 32.4188 178.0531 79 K 2.0000 8.6028 120.0915 56.8618 31.7651 175.2954 80 G 4.1544 8.6077 113.8945 47.0503 0.0000 173.5595 81 H 4.5172 7.3041 117.6460 55.2616 27.4297 174.9575 82 H 5.2582 7.2597 110.4208 54.1063 29.6700 176.5488 83 E 4.1115 8.4100 123.1972 60.1037 29.2057 177.9162 84 A 3.9998 7.9370 119.8251 55.0046 19.1125 178.8388 85 E 4.1451 8.0809 116.5671 59.0505 29.7949 178.8222 86 L 3.9374 8.5612 120.8364 58.0901 42.1704 178.6470 87 T 3.8984 8.2284 116.4770 66.4689 68.5186 174.4484 88 P 4.2912 0.0000 0.0000 65.9735 31.0552 178.0697 89 L 4.0808 7.5418 118.0997 57.8368 42.0089 178.7315 90 A 4.1737 8.3396 120.9866 55.0923 18.2527 179.6509 91 Q 3.9299 8.2860 116.8886 59.2357 28.8439 179.2538 92 S 4.0314 8.1693 115.2115 61.8400 63.1373 176.1358 93 H 4.2010 8.7823 119.6647 57.7948 28.2038 177.8064 94 A 2.5800 8.2639 123.3921 54.7504 18.0129 179.5898 95 T 3.7160 7.1132 112.4393 66.0352 68.9452 176.6706 96 K 3.9203 7.4778 119.8597 59.5995 32.4840 177.6153 97 H 4.3514 7.7562 113.7205 55.7248 29.5788 175.3617 98 K 3.4555 7.3785 116.7803 55.9694 28.6466 174.4309 99 I 4.4172 8.1367 118.9170 58.5756 38.9208 174.9224 100 P 4.5228 0.0000 0.0000 62.1458 32.1533 177.3904 101 V 3.6443 8.4718 119.3069 66.2418 31.2326 178.4101 102 K 3.8930 7.9312 117.9480 60.2096 32.2370 178.5540 103 Y 4.0499 7.8826 117.7732 60.5852 37.8135 177.9163 104 L 4.2079 7.9685 119.7345 57.8145 41.7212 179.1955 105 E 4.0515 8.3058 118.7008 59.4617 29.4279 179.3316 106 F 4.6625 7.9947 117.8953 60.8110 38.8593 177.5998 107 I 3.8997 8.2349 118.2464 63.9623 37.8033 178.0537 108 S 4.2104 8.3738 116.2795 61.6963 62.5935 176.4978 109 E 4.0679 8.6052 121.0866 59.4276 29.1501 179.3071 110 A 4.3232 8.0642 122.1487 54.6209 18.3087 179.8241 111 I 3.6738 8.1374 118.6596 64.5960 37.1377 178.7125 112 I 3.7752 7.9564 120.6669 64.5424 36.7084 178.5016 113 Q 4.0536 8.5143 119.3027 58.9194 28.4095 179.1346 114 V 3.5263 8.0223 119.4454 65.8647 31.5202 178.0854 115 L 3.7371 7.9569 118.9887 57.7884 41.0965 179.3629 116 Q 4.2096 8.1780 118.8103 59.0472 29.0547 177.9203 117 S 4.1874 8.0086 113.5632 61.3699 62.6165 175.8907 118 K 4.1044 7.9778 119.4553 57.8424 33.2243 176.8170 119 H 5.0525 8.2761 116.4531 53.8326 29.8429 173.0187 120 P 4.4021 0.0000 0.0000 65.9560 31.6666 179.1965 121 G 3.5977 8.2204 106.7286 47.9533 0.0000 173.6254 122 D 4.7902 7.9765 116.5289 54.0200 41.6399 176.5686 123 F 5.0837 8.0854 120.7395 56.1675 39.2816 174.4768 124 G 3.9420 7.4913 110.0317 43.3966 0.0000 170.4728 125 A 3.8851 8.4824 120.8669 55.7113 18.2037 179.9168 126 D 4.2311 7.9619 116.3428 57.3379 40.9152 178.7001 127 A 3.9982 7.8341 120.8588 55.2107 18.3438 179.5163 128 Q 3.3982 7.9858 117.0672 58.7100 28.6693 179.2877 129 G 3.4805 7.9943 106.5612 47.7341 0.0000 175.7091 130 A 3.8942 8.1317 123.5998 54.9450 18.3030 179.4191 131 M 4.0516 8.4253 117.0502 58.8054 32.2386 178.6321 132 S 4.1638 8.4112 115.6563 61.6355 62.9976 176.8485 133 K 3.9004 8.1709 120.9042 59.1873 31.7379 179.2516 134 A 3.8431 7.9768 121.0875 55.3049 18.2676 179.8042 135 L 4.1293 8.2287 117.5800 57.6924 41.5819 179.3479 136 E 3.9546 8.5913 119.9569 59.0324 29.4659 178.6241 137 L 3.9724 8.2039 120.5950 58.0009 42.1091 178.6007 138 F 4.1277 8.3889 120.5901 61.5882 39.2444 177.4042 139 R 3.4504 8.3418 117.8142 59.0517 29.8353 178.8309 140 N 4.2402 8.4627 116.7620 56.4479 38.5343 177.2682 141 D 4.3410 8.2763 120.5046 57.4314 40.8165 178.7931 142 M 3.6509 7.8584 119.3261 58.1267 31.8004 178.6511 143 A 3.8034 7.8778 120.8945 54.9880 18.4847 179.5890 144 A 3.9335 7.9733 119.3899 54.9970 18.4247 179.8333 145 K 3.9636 7.9593 118.3977 59.6259 32.1748 178.6249 146 Y 4.4513 8.4378 117.6252 61.1467 37.8466 178.5143 147 K 3.9082 8.3540 120.4817 59.7461 32.0896 178.4269 148 E 4.0256 8.0641 118.0319 59.0085 29.6173 178.1628 149 L 4.3086 7.8812 117.6036 55.3127 41.8350 177.6712 150 G 3.8487 8.0066 106.8800 45.6404 0.0000 172.5486 151 F 4.6845 8.1945 121.8441 55.7604 40.6136 175.0971 152 Q 3.8962 8.1388 129.6464 55.0224 28.3742 175.6524 153 G 3.4127 8.1543 113.6204 45.6431 0.0000 172.2147 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 G 8.35 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 2 L 8.79 4.45 0.00 0.50 0.66 0.56 -0.83 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 3 S 9.74 4.50 0.00 4.00 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 4 D 8.70 4.67 0.00 2.77 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 5 G 8.09 3.65 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 0.00 0.00 0.00 6 E 8.39 3.91 0.00 1.97 1.71 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 2.21 2.26 0.00 7 W 8.10 4.43 0.00 3.58 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 8 Q 8.42 4.20 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 9 L 8.03 4.06 0.00 1.94 1.74 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.94 3.71 2.49 0.00 0.00 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 0.89 0.00 0.00 11 L 8.75 4.22 0.00 1.79 1.80 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.45 4.40 0.00 2.87 2.93 0.00 0.00 7.04 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 13 V 8.02 3.82 2.29 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 1.09 0.00 0.00 0.92 0.00 0.00 14 W 8.63 4.03 0.00 3.64 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 15 G 8.20 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 16 K 7.69 3.84 0.00 1.38 1.31 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.32 7.81 17 V 6.84 2.83 0.67 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 0.34 0.00 0.00 -0.27 0.00 0.00 18 E 8.04 3.87 0.00 2.13 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 2.41 2.52 0.00 19 A 7.27 4.31 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 20 D 7.96 4.56 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.71 3.61 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 0.98 0.00 0.00 0.96 0.00 0.00 22 A 8.00 4.21 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 23 G 8.15 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.32 4.14 0.00 3.25 3.21 0.00 5.82 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 25 G 8.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.20 3.84 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 E 7.99 3.80 0.00 2.06 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 2.21 2.22 0.00 28 V 7.95 3.48 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 1.02 0.00 0.00 0.93 0.00 0.00 29 L 7.65 3.43 0.00 1.54 0.96 0.88 0.74 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 30 I 7.70 3.59 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.86 0.00 0.00 31 R 8.03 3.83 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 32 L 7.88 3.92 0.00 1.71 1.43 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.91 4.54 0.00 2.96 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 34 K 8.29 4.20 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.57 7.81 35 G 8.15 3.76 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 0.00 0.00 0.00 36 H 8.22 4.65 0.00 3.01 2.92 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.88 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 38 E 8.25 4.12 0.00 2.31 2.31 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 2.41 2.58 0.00 39 T 8.45 3.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 40 L 7.93 3.57 0.00 1.47 1.74 -0.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 4.14 0.00 2.27 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 2.38 2.39 0.00 42 K 8.16 4.45 0.00 1.88 1.66 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.74 1.91 7.81 43 F 8.22 4.53 0.00 3.23 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 44 D 8.42 4.40 0.00 2.63 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 45 K 7.89 3.94 0.00 1.43 0.98 0.00 1.42 0.00 0.00 1.20 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.10 1.36 7.81 46 F 7.84 5.08 0.00 2.90 2.67 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 0.00 0.00 0.00 0.00 47 K 7.69 4.06 0.00 1.89 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.66 7.81 48 H 8.18 4.37 0.00 3.30 3.43 0.00 5.52 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 49 L 7.51 4.36 0.00 1.54 1.59 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.99 4.30 0.00 1.73 1.84 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.51 7.81 51 S 7.45 4.68 0.00 3.97 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 52 E 8.68 3.89 0.00 2.03 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 2.35 2.37 0.00 53 D 8.04 4.38 0.00 2.71 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 54 E 8.06 3.99 0.00 2.07 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 2.35 2.34 0.00 55 M 8.34 4.12 0.00 1.98 2.24 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 2.73 2.54 0.00 56 K 8.25 3.94 0.00 1.66 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.68 7.81 57 A 7.62 4.39 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 58 S 7.47 4.22 0.00 3.84 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 59 E 9.02 3.96 0.00 2.11 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 2.41 2.42 0.00 60 D 8.17 4.52 0.00 3.01 3.02 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 61 L 8.23 3.50 0.00 1.10 1.42 0.70 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.92 0.00 1.79 1.90 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.60 7.81 63 K 8.31 4.05 0.00 2.09 1.92 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.65 7.81 64 H 8.68 4.42 0.00 3.77 3.55 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 65 G 8.36 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 66 N 8.32 4.33 0.00 2.78 3.01 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.08 3.87 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 1.24 0.00 0.00 68 V 8.02 3.60 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 1.09 0.00 0.00 1.02 0.00 0.00 69 L 8.14 4.24 0.00 1.80 1.89 0.86 0.76 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 70 T 8.37 3.93 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 71 A 8.06 3.99 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 72 L 8.13 3.76 0.00 1.57 1.62 0.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.65 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 0.00 0.00 0.00 74 G 7.93 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 75 I 7.52 3.81 1.83 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 1.51 1.05 0.86 0.00 0.00 76 L 7.94 3.91 0.00 1.03 1.47 -0.26 0.76 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 77 K 7.83 4.06 0.00 1.64 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.81 4.06 0.00 1.86 1.84 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.89 7.81 79 K 8.60 2.00 0.00 1.12 0.74 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.56 1.03 7.81 80 G 8.61 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.30 4.52 0.00 3.19 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.26 0.00 3.22 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.41 4.11 0.00 2.04 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 2.40 2.33 0.00 84 A 7.94 4.00 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 85 E 8.08 4.15 0.00 2.20 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 2.37 2.41 0.00 86 L 8.56 3.94 0.00 1.68 1.74 0.75 0.73 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 87 T 8.23 3.90 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 1.23 0.00 0.00 88 P 0.00 4.29 0.00 2.29 2.34 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 89 L 7.54 4.08 0.00 1.91 1.93 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.17 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 91 Q 8.29 3.93 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 92 S 8.17 4.03 0.00 3.99 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 0.00 93 H 8.78 4.20 0.00 3.60 3.62 0.00 5.81 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 94 A 8.26 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.11 3.72 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 96 K 7.48 3.92 0.00 1.52 1.51 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.34 7.81 97 H 7.76 4.35 0.00 3.04 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 3.46 0.00 1.83 1.85 0.00 1.72 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.33 7.81 99 I 8.14 4.42 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 1.21 0.00 0.00 100 P 0.00 4.52 0.00 1.96 1.96 0.00 3.30 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 0.99 1.37 0.00 101 V 8.47 3.64 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 1.10 0.00 0.00 0.95 0.00 0.00 102 K 7.93 3.89 0.00 1.67 1.93 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 103 Y 7.88 4.05 0.00 3.27 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 0.00 104 L 7.97 4.21 0.00 1.85 1.81 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.31 4.05 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 106 F 7.99 4.66 0.00 3.17 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 0.00 107 I 8.23 3.90 2.03 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 1.64 1.16 0.00 0.00 108 S 8.37 4.21 0.00 4.19 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 0.00 109 E 8.61 4.07 0.00 2.29 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 2.43 2.44 0.00 110 A 8.06 4.32 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 0.00 111 I 8.14 3.67 2.10 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 1.61 0.81 1.07 0.00 0.00 112 I 7.96 3.78 2.12 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 1.74 0.94 1.19 0.00 0.00 113 Q 8.51 4.05 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 114 V 8.02 3.53 2.12 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 1.04 0.00 0.00 0.88 0.00 0.00 115 L 7.96 3.74 0.00 0.85 0.51 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.18 4.21 0.00 2.36 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 117 S 8.01 4.19 0.00 3.92 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 0.00 118 K 7.98 4.10 0.00 1.29 1.41 0.00 1.54 0.00 0.00 1.34 0.00 0.00 2.55 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.26 1.39 7.81 119 H 8.28 5.05 0.00 3.18 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.40 0.00 2.25 2.48 0.00 3.77 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 2.10 1.99 0.00 121 G 8.22 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 0.00 122 D 7.98 4.79 0.00 2.77 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 0.00 123 F 8.09 5.08 0.00 3.00 2.97 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 0.00 124 G 7.49 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 0.00 125 A 8.48 3.89 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 0.00 126 D 7.96 4.23 0.00 2.67 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 0.00 127 A 7.83 4.00 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 0.00 128 Q 7.99 3.40 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.19 1.56 0.00 129 G 7.99 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.13 3.89 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 0.00 131 M 8.43 4.05 0.00 2.45 2.40 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 S 8.41 4.16 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.17 3.90 0.00 1.81 1.68 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.98 3.84 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 0.00 135 L 8.23 4.13 0.00 1.77 1.84 1.01 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 0.00 136 E 8.59 3.95 0.00 2.09 2.13 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 2.43 2.32 0.00 137 L 8.20 3.97 0.00 1.85 1.94 0.98 1.02 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 0.00 138 F 8.39 4.13 0.00 3.13 3.26 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 0.00 139 R 8.34 3.45 0.00 1.97 1.87 0.00 3.20 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 140 N 8.46 4.24 0.00 2.85 2.83 0.00 0.00 7.02 7.64 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 0.00 141 D 8.28 4.34 0.00 2.80 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 0.00 142 M 7.86 3.65 0.00 1.16 1.59 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.89 0.00 143 A 7.88 3.80 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 0.00 144 A 7.97 3.93 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 0.00 145 K 7.96 3.96 0.00 1.88 1.90 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.44 4.45 0.00 3.27 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 0.00 147 K 8.35 3.91 0.00 1.94 2.03 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 8.06 4.03 0.00 2.05 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 0.00 2.35 2.37 0.00 149 L 7.88 4.31 0.00 1.96 1.74 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.01 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 0.00 0.00 0.00 151 F 8.19 4.68 0.00 2.70 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 0.00 152 Q 8.14 3.90 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 153 G 8.15 3.41 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 0.00