NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1029 8.0549 120.3918 62.4286 32.5004 175.1975 2 L 4.0151 8.3233 127.5087 52.5104 42.3447 176.0576 3 S 4.5034 8.9817 117.6760 57.7414 66.1652 174.8083 4 E 4.2672 8.8740 122.9155 59.5819 29.3355 179.1616 5 G 3.6578 8.1357 105.2020 47.8586 0.0000 175.3206 6 E 3.8857 8.2687 120.9641 58.9780 29.4012 179.3913 7 W 4.4520 8.1669 118.9870 60.1192 29.0149 178.6366 8 Q 4.2052 8.7021 118.2722 58.8922 27.9858 178.6812 9 L 4.0309 8.0592 120.2337 57.6843 41.6254 179.7459 10 V 3.7861 8.0014 118.1535 66.2394 31.5469 178.2282 11 L 4.2551 8.5695 119.0665 58.0527 41.2121 179.2115 12 H 4.2427 8.5989 116.2117 58.5354 28.9246 177.8015 13 V 3.8429 7.8756 121.3802 64.3382 31.4993 178.3012 14 W 3.7938 8.5510 128.8460 60.0502 30.2681 177.6726 15 A 4.0367 8.1133 120.2398 55.0290 18.0171 179.4503 16 K 3.9602 7.8900 117.0303 59.2765 32.2070 179.3954 17 V 2.6562 7.2436 118.0015 65.9436 30.9141 177.3607 18 E 4.0284 7.6491 115.0916 57.7114 29.3717 178.4133 19 A 4.1611 7.5505 121.1469 54.5196 19.4528 177.5737 20 D 4.6492 7.8250 113.8022 52.4510 43.5544 176.0123 21 V 3.5942 7.7225 123.9586 64.3680 31.8462 178.1658 22 A 4.0523 8.0490 121.0636 55.0105 18.2516 179.7193 23 G 3.5819 8.3005 105.3924 47.6629 0.0000 175.6257 24 H 4.0855 8.2305 118.8039 58.4728 28.6063 178.0773 25 G 3.5107 8.3004 107.7702 47.8075 0.0000 175.6488 26 Q 4.0095 8.0704 120.4729 58.8879 28.7001 178.7486 27 D 4.2878 7.9266 119.7155 57.3773 40.7609 179.0521 28 I 3.5868 7.7607 120.2155 64.5179 37.0242 178.0896 29 Y 3.7894 7.8863 117.7659 60.9977 37.6518 178.7076 30 I 3.6986 7.9063 120.8862 64.4122 37.1533 178.4195 31 R 3.8232 8.0944 119.5928 59.1992 29.8229 178.2724 32 L 3.8955 7.8823 120.1458 58.4013 42.0498 179.1092 33 F 4.5826 8.1252 117.8064 60.0735 38.5389 177.8105 34 K 3.9702 8.0043 119.0154 59.6068 32.1583 178.8493 35 S 4.2422 8.0454 114.3773 60.5498 64.2867 174.6567 36 H 4.7552 8.2224 118.2059 52.1496 29.8047 171.8756 37 P 4.7063 0.0000 0.0000 64.6643 31.6472 177.6715 38 E 4.2649 8.2744 116.2944 59.6089 29.4388 179.1833 39 T 3.7174 8.0885 110.8481 64.4501 68.7731 176.2587 40 L 3.6751 8.0204 123.0145 57.8286 41.7350 178.6878 41 E 4.1226 7.9757 117.2119 58.8208 29.4176 178.8457 42 K 4.4224 8.0960 117.2537 57.2196 32.7104 177.5423 43 F 4.5492 8.2133 119.0941 55.5600 38.9062 175.6417 44 D 4.4069 8.5899 124.2832 57.5072 40.8291 179.0136 45 R 3.9128 7.6302 115.3617 57.6163 30.4416 176.8814 46 F 5.0291 7.5309 114.2408 56.6678 40.8802 176.6797 47 K 4.0424 8.1727 119.9059 58.9853 32.4331 177.7241 48 H 4.4251 8.0837 114.1966 56.9928 29.1130 175.5898 49 L 4.0876 7.5444 121.7365 54.9114 41.6753 176.9409 50 K 4.3299 9.2999 123.5591 57.4722 33.4031 177.1255 51 T 4.7352 7.2987 107.5799 58.7577 73.2855 174.1024 52 E 3.8886 8.7553 121.5158 59.4117 29.6042 178.7196 53 A 3.9805 7.9825 120.2289 55.3876 18.2426 179.3344 54 E 3.9275 7.8644 115.4853 59.6681 29.8106 179.1587 55 M 4.1468 8.1603 118.7565 58.4867 31.8533 178.9958 56 K 3.9688 8.3823 117.2891 59.1770 32.3082 178.6138 57 A 4.4221 7.7379 118.6854 52.1174 18.9465 177.1886 58 S 4.3524 7.4843 113.2202 57.3278 62.5567 174.5833 59 E 4.0405 8.8698 128.8317 59.6158 29.2607 179.0156 60 D 4.5006 8.1707 118.6076 57.1990 40.9161 178.3590 61 L 3.0398 8.0180 120.9896 57.5038 41.9577 178.8318 62 K 3.8823 7.9762 119.6285 59.6384 32.1476 178.9145 63 K 4.0482 8.2741 118.7286 59.4664 31.8500 179.1695 64 Q 4.2540 8.4456 120.1488 59.1904 28.9965 178.4771 65 G 3.5976 8.6045 107.1238 47.7388 0.0000 175.8342 66 V 3.6211 7.9097 120.5606 65.7814 31.4805 178.3020 67 R 3.9677 8.0857 117.8252 59.2653 29.8866 179.0740 68 V 3.6466 8.0873 118.0363 66.3203 31.5739 178.1900 69 L 4.2318 8.1619 118.5385 57.9379 41.3965 179.7256 70 T 4.0712 8.2907 115.9203 66.3942 68.4731 176.7272 71 A 3.9904 8.2916 122.9596 55.0743 18.3737 179.4687 72 L 3.6721 8.3056 119.3560 58.0376 42.0936 179.2759 73 G 3.1770 8.4729 105.8941 47.6809 0.0000 175.4413 74 A 3.9501 7.8472 122.1109 54.7696 18.6696 179.5378 75 I 3.7488 7.5169 118.1199 64.5964 37.1890 178.6211 76 L 3.9606 7.8734 120.1054 57.7733 41.1676 179.7829 77 K 3.9052 7.7915 117.1485 58.6931 32.2497 178.8853 78 K 3.9303 7.7895 118.0383 56.1978 32.4335 176.7223 79 K 2.0000 8.2546 118.3120 56.2899 29.8163 175.7749 80 G 3.9395 7.8004 106.0944 45.7209 0.0000 173.9753 81 H 4.5468 7.3478 119.2618 55.2590 27.4523 174.8852 82 H 5.4048 7.2494 110.7223 54.3648 29.4786 176.3525 83 E 3.9264 8.5864 122.4702 60.1890 29.0692 178.4706 84 A 4.0297 7.9031 118.7171 55.3287 17.4453 179.0208 85 E 4.0990 8.1375 116.6196 59.4976 29.6365 179.3789 86 L 4.2788 8.3007 119.0584 57.1627 41.6159 179.4820 87 K 3.9417 7.7793 118.8877 59.0964 32.0729 177.4950 88 P 4.3301 0.0000 0.0000 65.7732 31.2082 178.4248 89 L 4.0776 7.5692 116.2747 57.6087 41.5132 179.2128 90 A 4.1815 8.5250 121.1532 55.2508 18.3457 179.4991 91 Q 3.9289 8.3399 118.3009 59.3207 29.0991 178.6156 92 S 4.0565 8.2872 115.3789 61.9230 63.0404 176.1898 93 H 4.2309 8.7528 119.7333 57.9158 28.2192 177.8029 94 A 2.8321 8.1594 122.4712 54.7331 18.3388 178.8913 95 T 4.0115 7.4351 111.8329 64.5595 69.6293 176.2792 96 K 4.0225 7.5276 120.3592 59.0369 32.7310 177.3299 97 H 4.3094 8.0505 114.8556 56.0755 29.5466 175.5133 98 K 3.2502 7.5401 117.0873 57.0263 28.4059 175.5818 99 I 4.3680 8.0282 119.0316 58.6312 38.4210 174.9385 100 P 4.6267 0.0000 0.0000 62.2367 32.0786 177.3969 101 I 3.6952 8.5554 121.2753 64.6129 36.9192 178.4902 102 K 3.7519 7.9852 119.8199 59.9590 31.8090 178.1956 103 Y 4.2613 7.9249 116.7347 60.8426 37.8135 178.0963 104 L 4.1899 7.9473 119.7090 57.6068 41.6611 179.1516 105 E 4.0128 8.3572 119.0306 59.4016 29.4361 179.2159 106 F 4.5264 7.8439 117.7642 60.9461 38.9465 177.6999 107 I 3.8549 8.2742 118.1345 63.9603 37.6784 178.0684 108 S 4.1767 8.3841 116.3556 61.5238 62.6026 176.0824 109 E 3.9904 8.6541 122.0154 59.3886 29.3379 178.8082 110 A 3.9931 8.1908 120.6575 55.0947 18.3816 179.5814 111 I 3.6107 8.0368 118.5316 64.6959 37.1618 178.6686 112 I 3.7713 8.0038 120.6059 64.6703 36.9784 177.9704 113 H 4.0703 8.5642 119.2904 59.3271 29.6526 177.5340 114 V 3.6454 7.8691 121.4073 65.3994 31.2932 178.0089 115 L 3.7142 7.8499 118.9004 57.7996 41.0372 178.8821 116 H 4.3842 8.0651 117.7994 59.3394 30.1434 177.1519 117 S 4.2230 8.1085 116.0028 61.4211 62.8873 176.5869 118 R 4.0111 8.0877 120.9627 57.4940 31.0875 176.5200 119 H 5.0730 8.2219 115.3512 54.0984 29.2839 173.3100 120 P 4.3557 0.0000 0.0000 65.4905 31.7120 178.4261 121 G 3.7597 8.1185 107.0611 47.8666 0.0000 173.7571 122 D 4.9568 8.2928 116.8355 53.7624 42.8503 175.5441 123 F 4.8745 8.0201 120.0813 56.5818 39.7038 174.6972 124 G 3.8713 7.8173 108.0906 44.0230 0.0000 172.4567 125 A 3.8968 8.3868 120.6345 55.3495 18.3391 179.6845 126 D 4.1710 7.9520 116.6177 57.3947 40.8873 178.7344 127 A 3.8773 7.7186 120.7620 55.1053 18.4368 179.2587 128 Q 2.9114 7.8226 118.5732 58.8071 28.9599 178.7071 129 G 3.5337 8.1191 106.7185 47.6454 0.0000 175.5274 130 A 3.8265 7.9633 123.2367 55.0400 18.3272 179.4042 131 M 3.9914 8.2063 116.9472 58.7391 32.3162 177.8148 132 N 4.2923 8.5986 117.6653 56.6765 39.0709 176.6841 133 K 3.8654 8.1858 120.7816 59.3528 32.2098 178.6445 134 A 3.8150 7.9938 121.1098 55.1921 18.2416 179.6964 135 L 4.0939 8.2887 117.8253 57.7976 41.6058 179.5402 136 E 3.9817 8.6624 119.1928 59.2580 29.3329 179.1216 137 L 3.9525 8.1431 120.4084 58.0226 42.1108 178.5187 138 F 4.1471 8.4175 120.6357 61.7402 39.2476 177.4371 139 R 3.4788 8.3859 117.7813 58.7250 29.8004 178.9629 140 K 3.8223 8.3390 119.9509 59.7137 32.2241 178.6864 141 D 4.3270 8.2155 119.2517 57.1386 40.7418 178.7717 142 I 3.3001 7.5995 120.4862 64.1341 37.0120 178.1633 143 A 3.7335 7.9050 121.6218 55.1405 18.1517 179.5510 144 A 3.9210 7.9158 119.1550 55.1389 18.3983 179.8436 145 K 3.9363 8.0719 118.2124 59.6306 32.1858 178.3853 146 Y 4.5340 8.5193 117.5658 61.5481 37.9564 179.2112 147 K 4.0215 8.1710 118.9418 59.5088 31.9213 179.2186 148 E 4.0208 8.0481 117.9538 59.3612 29.5120 178.8172 149 L 4.3483 7.9653 116.5786 55.3306 41.9458 177.8419 150 G 3.9377 7.9821 107.2815 45.2242 0.0000 172.1977 151 Y 4.8096 7.8466 120.4890 55.4138 40.2507 176.0976 152 Q 3.8226 8.4060 126.2197 56.6512 29.4682 176.3622 153 G 3.5666 5.7699 111.1805 45.5806 0.0000 173.1992 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 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.02 0.00 0.92 0.65 0.56 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.98 4.50 0.00 4.05 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 E 8.87 4.27 0.00 2.20 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 2.44 2.53 0.00 5 G 8.14 3.66 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 0.00 0.00 0.00 6 E 8.27 3.89 0.00 1.92 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 8.17 4.45 0.00 3.59 3.17 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 0.00 8 Q 8.70 4.21 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 9 L 8.06 4.03 0.00 1.87 1.73 0.87 0.84 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 10 V 8.00 3.79 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 1.19 0.00 0.00 0.94 0.00 0.00 11 L 8.57 4.26 0.00 1.83 1.77 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.60 4.24 0.00 3.24 3.44 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.84 2.52 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 1.18 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.79 0.00 3.71 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.11 4.04 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 16 K 7.89 3.96 0.00 1.47 1.59 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.47 7.81 17 V 7.24 2.66 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 0.00 0.00 0.14 0.00 0.00 0.10 0.00 0.00 18 E 7.65 4.03 0.00 2.06 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 0.00 2.31 2.29 0.00 19 A 7.55 4.16 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 20 D 7.82 4.65 0.00 2.71 2.50 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 21 V 7.72 3.59 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 0.86 0.00 0.00 0.87 0.00 0.00 22 A 8.05 4.05 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 23 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.09 0.00 3.23 3.18 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 8.30 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.07 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 27 D 7.93 4.29 0.00 2.76 2.63 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 28 I 7.76 3.59 1.65 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 1.43 0.59 0.72 0.00 0.00 29 Y 7.89 3.79 0.00 2.88 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.91 3.70 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.95 0.00 0.00 31 R 8.09 3.82 0.00 1.93 2.01 0.00 3.06 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.88 3.90 0.00 1.74 1.44 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.13 4.58 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 3.97 0.00 1.99 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 35 S 8.05 4.24 0.00 3.79 3.56 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 36 H 8.22 4.76 0.00 2.85 2.64 0.00 5.64 0.00 0.00 0.00 0.00 6.89 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 4.71 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 E 8.27 4.26 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 2.31 2.60 0.00 39 T 8.09 3.72 4.43 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 0.84 0.00 0.00 40 L 8.02 3.68 0.00 1.21 1.67 -0.22 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.98 4.12 0.00 2.23 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 2.37 2.39 0.00 42 K 8.10 4.42 0.00 1.88 1.72 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.77 1.98 7.81 43 F 8.21 4.55 0.00 3.30 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 44 D 8.59 4.41 0.00 2.60 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.63 3.91 0.00 0.77 1.13 0.00 2.97 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 46 F 7.53 5.03 0.00 2.86 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 47 K 8.17 4.04 0.00 1.88 2.22 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 48 H 8.08 4.43 0.00 3.29 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.54 4.09 0.00 1.48 1.55 0.82 0.65 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 50 K 9.30 4.33 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 T 7.30 4.74 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 1.20 0.00 0.00 52 E 8.76 3.89 0.00 2.05 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 2.37 2.38 0.00 53 A 7.98 3.98 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 54 E 7.86 3.93 0.00 2.11 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 2.34 2.34 0.00 55 M 8.16 4.15 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 56 K 8.38 3.97 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 57 A 7.74 4.42 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 58 S 7.48 4.35 0.00 3.96 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 59 E 8.87 4.04 0.00 2.09 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 2.42 2.42 0.00 60 D 8.17 4.50 0.00 3.05 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 61 L 8.02 3.04 0.00 0.98 1.51 -0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.98 3.88 0.00 1.87 2.00 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 63 K 8.27 4.05 0.00 2.08 1.92 0.00 1.78 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 64 Q 8.45 4.25 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.69 3.04 0.00 65 G 8.60 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 66 V 7.91 3.62 2.28 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 1.05 0.00 0.00 0.98 0.00 0.00 67 R 8.09 3.97 0.00 2.25 2.07 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 68 V 8.09 3.65 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 1.11 0.00 0.00 1.19 0.00 0.00 69 L 8.16 4.23 0.00 1.78 1.87 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 4.07 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 1.26 0.00 0.00 71 A 8.29 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 8.31 3.67 0.00 1.53 1.57 0.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.85 3.95 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 75 I 7.52 3.75 1.83 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 1.53 0.80 0.89 0.00 0.00 76 L 7.87 3.96 0.00 1.33 1.59 -0.17 0.83 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 77 K 7.79 3.91 0.00 1.75 1.78 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.50 7.81 78 K 7.79 3.93 0.00 1.86 1.77 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.83 7.81 79 K 8.25 2.00 0.00 1.17 0.74 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.52 1.03 7.81 80 G 7.80 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 81 H 7.35 4.55 0.00 3.16 3.22 0.00 5.80 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 7.25 5.40 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.93 0.00 2.07 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 2.40 2.41 0.00 84 A 7.90 4.03 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 8.14 4.10 0.00 2.25 2.04 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 2.39 2.47 0.00 86 L 8.30 4.28 0.00 1.91 1.71 1.02 0.65 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 87 K 7.78 3.94 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 89 L 7.57 4.08 0.00 1.91 1.83 1.09 0.75 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 90 A 8.53 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.93 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.29 4.06 0.00 4.03 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 8.75 4.23 0.00 3.62 3.66 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 8.16 2.83 1.06 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 0.00 0.00 95 T 7.44 4.01 4.20 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 1.11 0.00 0.00 96 K 7.53 4.02 0.00 1.54 1.60 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 8.05 4.31 0.00 3.04 3.15 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 7.54 3.25 0.00 1.78 1.70 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.05 1.19 7.81 99 I 8.03 4.37 2.15 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 1.44 1.01 1.20 0.00 0.00 100 P 0.00 4.63 0.00 1.95 1.99 0.00 3.17 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.55 0.00 101 I 8.56 3.70 1.82 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 1.59 0.89 0.87 0.00 0.00 102 K 7.99 3.75 0.00 1.67 1.64 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.74 1.12 7.81 103 Y 7.92 4.26 0.00 3.29 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 0.00 104 L 7.95 4.19 0.00 1.85 1.82 0.76 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.36 4.01 0.00 2.02 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 2.32 2.45 0.00 106 F 7.84 4.53 0.00 3.26 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 0.00 107 I 8.27 3.85 2.04 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 1.52 1.59 1.09 0.00 0.00 108 S 8.38 4.18 0.00 4.19 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 0.00 109 E 8.65 3.99 0.00 2.26 2.33 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 2.39 2.43 0.00 110 A 8.19 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 0.00 111 I 8.04 3.61 2.09 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 1.55 0.68 1.03 0.00 0.00 112 I 8.00 3.77 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 1.14 0.00 0.00 113 H 8.56 4.07 0.00 3.43 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.65 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 1.08 0.00 0.00 0.93 0.00 0.00 115 L 7.85 3.71 0.00 0.43 0.36 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.07 4.38 0.00 3.42 3.60 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.11 4.22 0.00 4.06 4.06 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 0.00 118 R 8.09 4.01 0.00 1.62 1.57 0.00 2.88 0.00 0.00 2.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 119 H 8.22 5.07 0.00 3.23 3.21 0.00 5.62 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 4.36 0.00 2.17 2.16 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 121 G 8.12 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 0.00 122 D 8.29 4.96 0.00 2.70 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 0.00 123 F 8.02 4.87 0.00 2.96 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 0.00 124 G 7.82 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 0.00 125 A 8.39 3.90 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 7.95 4.17 0.00 2.64 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 0.00 127 A 7.72 3.88 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 0.00 128 Q 7.82 2.91 0.00 1.21 1.89 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 2.25 2.32 0.00 129 G 8.12 3.53 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 0.00 0.00 0.00 130 A 7.96 3.83 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 0.00 131 M 8.21 3.99 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.93 0.00 132 N 8.60 4.29 0.00 2.85 2.93 0.00 0.00 6.87 6.58 0.00 0.00 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 8.19 3.87 0.00 1.91 1.57 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 134 A 7.99 3.82 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 0.00 135 L 8.29 4.09 0.00 1.75 1.83 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 3.98 0.00 2.18 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 2.34 2.60 0.00 137 L 8.14 3.95 0.00 1.86 1.96 1.03 0.97 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 8.42 4.15 0.00 3.12 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 8.39 3.48 0.00 1.95 1.85 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 140 K 8.34 3.82 0.00 1.83 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.22 4.33 0.00 2.74 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 0.00 142 I 7.60 3.30 1.17 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.36 -0.06 0.00 0.00 143 A 7.91 3.73 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 0.00 144 A 7.92 3.92 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 0.00 145 K 8.07 3.94 0.00 1.96 1.92 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 146 Y 8.52 4.53 0.00 3.08 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 0.00 147 K 8.17 4.02 0.00 2.03 1.87 0.00 1.89 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 148 E 8.05 4.02 0.00 2.17 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 2.36 2.52 0.00 149 L 7.97 4.35 0.00 1.88 1.74 1.04 0.89 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 0.00 150 G 7.98 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 0.00 151 Y 7.85 4.81 0.00 2.58 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 0.00 152 Q 8.41 3.82 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 153 G 5.77 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