NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2004 8.1727 122.0523 56.2919 34.1285 173.8988 2 V 4.6293 8.1635 126.8021 60.7668 32.4509 174.6646 3 F 4.4299 10.0122 128.7735 57.5632 40.1959 174.7770 4 E 4.3853 9.0470 120.7421 55.6328 31.1113 177.3278 5 R 3.3129 8.8922 121.9175 60.3465 30.0188 179.6989 6 C 4.3622 8.0505 115.2741 59.5070 35.8635 175.5605 7 E 3.8905 8.1353 120.8646 59.2671 29.1975 178.5204 8 L 3.7189 8.1413 120.2170 57.8017 42.0522 178.6403 9 A 3.9288 7.8098 120.7764 55.3955 18.2893 179.9146 10 R 3.9089 8.1411 116.5293 59.5707 30.0850 179.4668 11 T 3.8596 7.8676 115.5463 66.6611 68.4760 176.7648 12 L 3.8751 8.1033 121.1829 57.3045 41.5783 179.4329 13 K 3.8819 8.0184 119.6597 59.7687 31.9978 178.9881 14 R 3.9787 7.8874 116.8393 59.1045 30.0293 178.1077 15 L 4.3757 7.5038 115.9381 54.4785 41.6845 177.3915 16 G 3.8985 7.8578 107.0174 46.3167 0.0000 174.9521 17 M 3.9336 7.9362 121.0226 56.6084 32.2501 175.7703 18 D 4.6094 8.0462 118.3564 55.5337 41.2378 175.7932 19 G 3.9557 9.6298 115.9556 45.5273 0.0000 171.5151 20 Y 4.2490 8.3334 122.2539 58.4808 39.0029 175.9289 21 R 3.4978 8.9479 127.6435 57.3449 28.6293 176.5286 22 G 3.8430 8.1700 101.3924 45.3818 0.0000 173.8133 23 I 4.1614 7.5281 121.7376 59.1568 38.3545 175.9573 24 S 4.6678 8.3411 120.6510 57.9356 65.0032 174.9906 25 L 4.2602 8.8446 123.1767 58.3146 41.3577 179.8696 26 A 4.1537 8.1829 120.0022 55.3376 18.2924 179.3242 27 N 4.4728 8.0130 113.8932 56.3028 38.6281 177.7486 28 W 4.2882 8.0409 120.0733 59.9124 29.0701 178.6044 29 M 4.1732 8.6309 119.1853 58.4778 31.4296 177.8396 30 C 3.2837 8.2057 118.7574 59.2040 43.6114 175.3254 31 L 3.9570 8.0349 121.5714 58.3320 41.7666 178.7786 32 A 4.0975 8.2884 120.6343 54.9212 18.2786 179.4078 33 K 2.8107 8.0306 118.0212 59.3708 32.0328 179.1191 34 W 4.2331 7.5312 117.2111 59.0524 29.0558 178.4420 35 E 4.2907 8.3713 118.9260 58.7202 29.1685 177.8067 36 S 4.5020 7.7097 108.5608 56.3792 64.4820 174.1568 37 G 3.3916 8.2729 108.8444 46.7841 0.0000 173.0557 38 Y 3.5486 7.6087 113.6008 58.9246 35.0209 168.7693 39 N 5.3657 7.7781 118.8067 51.8288 40.4941 175.2507 40 T 4.0971 8.7336 116.9882 64.0504 69.0953 176.0395 41 R 4.3264 8.0425 119.5313 56.3669 30.8095 176.4641 42 A 4.2755 7.7400 122.1109 52.6395 19.1879 176.8033 43 T 5.0400 8.4307 111.5275 59.8736 72.5263 172.9669 44 N 4.9125 8.8977 121.5189 52.2486 42.3049 172.2572 45 Y 4.8380 8.7083 127.4649 56.6730 41.2193 173.9032 46 N 4.7529 8.3412 124.2965 51.1974 39.2536 175.2797 47 A 3.6452 8.3331 127.8296 54.7896 18.9465 179.1132 48 G 3.7035 8.0980 104.1332 47.9912 0.0000 173.8387 49 D 4.7505 7.6718 115.4087 51.9374 40.1549 175.6877 50 R 3.8885 8.0803 117.0783 57.3170 28.0247 175.6050 51 S 5.0444 7.7752 110.1233 56.8752 67.1498 172.6054 52 T 5.1556 8.9976 115.7835 61.9670 72.7712 172.7923 53 D 5.5239 9.0392 124.9226 53.0580 43.3804 175.0159 54 Y 4.9585 9.2199 121.0096 57.4814 41.4766 177.2535 55 G 4.3559 9.1675 112.2583 46.1925 0.0000 173.4528 56 I 3.5999 8.2380 117.3502 63.4849 37.8665 177.1881 57 F 4.6937 7.9684 115.8016 56.5563 39.9105 175.2573 58 Q 3.5760 7.9521 119.2737 57.0412 26.5148 173.7895 59 I 4.5155 8.2063 119.0683 60.8403 39.3796 176.9479 60 N 5.3502 9.1461 125.4360 53.5179 40.0375 175.4543 61 S 5.0346 8.9024 118.8322 59.6083 63.6833 175.3764 62 R 4.0650 9.0297 122.5537 59.4810 30.0587 178.1300 63 A 3.7811 7.9529 119.8588 53.2735 19.5721 177.9919 64 W 4.7258 8.3209 114.0583 57.7953 32.1257 173.8260 65 C 5.5767 8.3164 112.7101 53.5266 45.6958 172.0037 66 N 5.2910 9.0400 119.7326 52.1931 39.9503 174.8476 67 D 4.8264 8.9669 124.1322 52.5171 40.4142 176.9981 68 G 4.1025 8.4615 108.9563 45.5798 0.0000 174.7245 69 K 4.5088 7.9640 116.2276 56.6064 32.8072 175.5477 70 T 4.7292 7.7307 116.4352 61.1885 69.6580 172.6993 71 P 4.2545 0.0000 0.0000 63.9309 31.9266 176.8650 72 G 3.8441 8.8767 107.7322 46.1118 0.0000 173.4623 73 A 4.2542 7.3429 122.9358 52.0680 18.8649 178.4173 74 V 3.8430 8.6057 122.0466 62.6527 33.3532 175.5896 75 N 4.2092 8.0220 116.3584 54.3389 36.9234 174.9202 76 A 3.9860 7.8697 121.3909 55.4040 19.0026 178.5922 77 C 4.5600 8.6849 111.5530 57.5097 40.9883 173.0452 78 H 4.0539 7.9874 116.2407 56.7186 26.3735 174.7539 79 L 4.8225 8.3548 117.4883 52.6705 46.0937 176.9111 80 S 4.5909 8.4358 116.7255 58.2007 63.2606 175.9025 81 C 4.1534 8.8273 124.7350 59.6725 40.8849 176.6230 82 S 3.8957 7.8513 115.3145 61.0145 62.3082 176.2850 83 A 4.0536 8.0269 124.4207 54.3696 17.7978 178.3959 84 L 4.4242 7.7855 116.2708 54.9730 41.6571 177.5836 85 L 4.9702 7.5725 117.9731 54.5136 42.1989 176.7333 86 Q 4.3340 7.3633 117.8853 55.5497 29.3070 176.2131 87 D 4.4165 8.5075 119.7338 56.9571 41.1814 176.6682 88 N 4.5891 8.0571 118.2260 53.1355 39.1811 174.6328 89 I 4.2622 8.4115 118.8392 61.0458 38.0821 176.9516 90 A 3.9278 8.0667 124.6214 55.9295 18.1393 180.1025 91 D 4.2854 8.0630 116.5017 57.3193 40.9777 178.5349 92 A 4.0935 8.0041 120.8772 55.1870 18.3621 179.7092 93 V 3.3581 8.1056 116.6114 66.1361 31.7450 178.1272 94 A 3.8261 7.9740 120.4659 55.1928 18.0999 178.8338 95 C 4.1893 8.3284 116.8565 59.6295 37.9967 175.5373 96 A 3.8911 8.3137 122.8417 55.1407 17.6010 179.7989 97 K 3.8089 7.7082 116.2906 59.2994 32.4072 179.1966 98 R 4.0309 7.7743 118.8486 59.3718 29.8802 178.5088 99 V 2.2816 7.2637 117.9327 65.7161 31.1374 177.7219 100 V 4.0147 7.2777 107.7705 62.1491 31.7377 177.8061 101 R 4.1863 7.7925 117.5993 57.0907 30.5644 176.5980 102 D 4.6676 7.3104 119.4753 53.1776 41.6638 175.3824 103 P 4.2531 0.0000 0.0000 66.0463 31.5481 178.1835 104 Q 4.0536 8.2628 116.6075 56.8430 30.0578 177.4198 105 G 3.6443 7.9187 107.1644 46.3805 0.0000 176.1726 106 I 3.8264 7.7720 120.9773 63.1348 38.0149 177.7924 107 R 4.2915 7.3047 118.0050 58.2760 29.9587 177.6319 108 A 3.9709 7.7222 120.6342 54.0247 18.7340 177.4574 109 W 4.8111 8.3166 117.2259 55.3312 29.6366 177.7000 110 V 3.8012 8.6874 124.9262 64.7468 30.8773 177.9309 111 A 4.0020 8.3706 121.0235 54.8736 18.1102 179.2564 112 W 3.9920 8.4540 126.7565 60.6235 30.5629 178.5053 113 R 3.6979 8.1712 116.5830 59.2887 29.6775 178.3378 114 N 4.3772 8.2374 115.3633 55.5699 38.6696 176.7674 115 R 4.1885 7.6017 115.8913 55.9272 31.8517 176.0530 116 C 4.5834 7.1843 113.9021 57.7528 43.1161 174.2743 117 Q 3.4367 6.5617 120.0900 57.0841 28.6802 175.4288 118 N 4.2235 8.7270 121.0892 54.3616 36.1974 173.8862 119 R 4.5770 7.3328 114.7213 53.9086 33.3726 175.2949 120 D 4.5092 8.5553 119.3146 54.5234 41.2449 176.0782 121 V 5.2686 8.2330 118.3989 60.7845 32.4457 178.1068 122 R 4.1647 7.8759 121.8898 58.7746 29.3020 178.6161 123 Q 4.1763 8.0712 117.1076 59.1201 28.1626 178.0312 124 Y 4.2919 7.6607 117.6435 59.9456 38.1674 177.2562 125 V 4.4261 7.7140 111.6640 59.6685 32.3065 175.2653 126 Q 4.2097 7.3018 117.8520 57.3800 28.7621 176.8266 127 G 3.9629 9.0289 111.0724 45.5269 0.0000 174.3183 128 C 4.4061 7.8951 115.5703 56.7509 40.7517 173.4834 129 G 3.8327 8.0669 107.5272 46.9451 0.0000 174.1383 130 V 4.0111 7.7683 122.9225 61.4378 31.5556 175.3326 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 K 8.17 4.20 0.00 1.87 1.67 0.00 1.28 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.12 7.81 2 V 8.16 4.63 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.01 4.43 0.00 2.81 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 4 E 9.05 4.39 0.00 1.94 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 2.31 2.23 0.00 5 R 8.89 3.31 0.00 1.92 1.94 0.00 3.45 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 6 C 8.05 4.36 0.00 3.00 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 7 E 8.14 3.89 0.00 2.05 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 0.00 2.56 2.40 0.00 8 L 8.14 3.72 0.00 1.40 1.37 -0.13 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.81 3.93 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 10 R 8.14 3.91 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.87 3.86 4.28 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 1.23 0.00 0.00 12 L 8.10 3.88 0.00 1.74 1.57 0.91 0.81 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 13 K 8.02 3.88 0.00 1.95 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.89 3.98 0.00 1.97 1.97 0.00 3.20 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 15 L 7.50 4.38 0.00 1.64 1.57 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.94 3.93 0.00 1.28 1.94 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 18 D 8.05 4.61 0.00 2.68 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 19 G 9.63 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.33 4.25 0.00 3.36 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 21 R 8.95 3.50 0.00 1.60 1.88 0.00 3.28 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 22 G 8.17 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 0.00 0.00 0.00 23 I 7.53 4.16 1.86 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.62 -0.22 0.00 0.00 24 S 8.34 4.67 0.00 4.12 4.04 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 25 L 8.84 4.26 0.00 1.94 1.88 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.15 1.52 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 27 N 8.01 4.47 0.00 2.85 2.74 0.00 0.00 6.96 7.55 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 28 W 8.04 4.29 0.00 3.50 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 29 M 8.63 4.17 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.21 3.28 0.00 2.76 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 31 L 8.03 3.96 0.00 1.91 1.91 0.63 0.05 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 32 A 8.29 4.10 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 33 K 8.03 2.81 0.00 1.59 1.57 0.00 0.64 0.00 0.00 1.12 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.95 0.21 7.81 34 W 7.53 4.23 0.00 3.33 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 35 E 8.37 4.29 0.00 1.98 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 2.56 2.56 0.00 36 S 7.71 4.50 0.00 4.04 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 37 G 8.27 3.39 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 0.00 38 Y 7.61 3.55 0.00 3.20 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 39 N 7.78 5.37 0.00 2.75 2.83 0.00 0.00 7.02 8.57 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 40 T 8.73 4.10 4.44 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 1.46 0.00 0.00 41 R 8.04 4.33 0.00 1.98 2.04 0.00 3.19 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 42 A 7.74 4.28 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 43 T 8.43 5.04 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 1.25 0.00 0.00 44 N 8.90 4.91 0.00 2.87 2.73 0.00 0.00 6.84 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.71 4.84 0.00 3.04 2.82 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 0.00 0.00 0.00 0.00 46 N 8.34 4.75 0.00 2.63 2.60 0.00 0.00 6.70 7.03 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 47 A 8.33 3.65 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 48 G 8.10 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 49 D 7.67 4.75 0.00 2.72 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 50 R 8.08 3.89 0.00 2.04 2.19 0.00 3.09 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 S 7.78 5.04 0.00 3.90 3.95 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 52 T 9.00 5.16 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 0.71 0.00 0.00 53 D 9.04 5.52 0.00 2.69 2.59 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 54 Y 9.22 4.96 0.00 3.00 2.87 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 55 G 9.17 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 0.00 0.00 0.00 0.00 56 I 8.24 3.60 1.67 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.67 0.09 0.00 0.00 57 F 7.97 4.69 0.00 3.20 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 58 Q 7.95 3.58 0.00 2.49 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 59 I 8.21 4.52 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 1.12 0.00 0.00 60 N 9.15 5.35 0.00 3.03 2.87 0.00 0.00 6.98 7.59 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 61 S 8.90 5.03 0.00 4.10 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 4.07 0.00 1.89 2.02 0.00 3.02 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 63 A 7.95 3.78 0.21 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 0.00 0.00 64 W 8.32 4.73 0.00 3.47 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 65 C 8.32 5.58 0.00 3.08 3.24 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 0.00 66 N 9.04 5.29 0.00 2.84 2.70 0.00 0.00 7.03 8.99 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 67 D 8.97 4.83 0.00 2.82 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 68 G 8.46 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.96 4.51 0.00 1.89 1.90 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 70 T 7.73 4.73 4.29 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 1.28 0.00 0.00 71 P 0.00 4.25 0.00 2.22 2.19 0.00 4.00 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 72 G 8.88 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 0.00 0.00 0.00 73 A 7.34 4.25 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 74 V 8.61 3.84 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 0.64 0.00 0.00 0.77 0.00 0.00 75 N 8.02 4.21 0.00 2.92 2.69 0.00 0.00 7.10 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.87 3.99 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 77 C 8.68 4.56 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 78 H 7.99 4.05 0.00 3.30 3.37 0.00 5.79 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 79 L 8.35 4.82 0.00 1.68 1.50 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.44 4.59 0.00 3.83 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 81 C 8.83 4.15 0.00 2.36 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 82 S 7.85 3.90 0.00 4.06 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.03 4.05 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 84 L 7.79 4.42 0.00 1.90 1.81 1.06 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.57 4.97 0.00 1.78 1.73 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.36 4.33 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 D 8.51 4.42 0.00 2.65 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 88 N 8.06 4.59 0.00 2.67 2.75 0.00 0.00 6.94 7.94 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 89 I 8.41 4.26 1.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.47 0.91 0.00 0.00 90 A 8.07 3.93 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 91 D 8.06 4.29 0.00 2.71 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 92 A 8.00 4.09 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 93 V 8.11 3.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 94 A 7.97 3.83 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 95 C 8.33 4.19 0.00 3.05 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 96 A 8.31 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.71 3.81 0.00 1.59 1.36 0.00 1.30 0.00 0.00 0.80 0.00 0.00 2.31 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.96 7.81 98 R 7.77 4.03 0.00 1.97 2.07 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 99 V 7.26 2.28 1.74 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 -0.15 0.00 0.00 -0.63 0.00 0.00 100 V 7.28 4.01 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 1.02 0.00 0.00 1.43 0.00 0.00 101 R 7.79 4.19 0.00 2.05 2.04 0.00 3.25 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 102 D 7.31 4.67 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.25 0.00 2.04 2.13 0.00 3.71 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 2.04 2.13 0.00 104 Q 8.26 4.05 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 105 G 7.92 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.77 3.83 1.11 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.93 -0.58 0.00 0.00 107 R 7.30 4.29 0.00 2.05 2.04 0.00 3.28 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 108 A 7.72 3.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.32 4.81 0.00 3.54 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 0.00 110 V 8.69 3.80 2.16 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 0.92 0.00 0.00 1.00 0.00 0.00 111 A 8.37 4.00 1.54 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 0.00 112 W 8.45 3.99 0.00 3.48 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 0.00 113 R 8.17 3.70 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 114 N 8.24 4.38 0.00 2.55 2.73 0.00 0.00 6.93 8.39 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 0.00 115 R 7.60 4.19 0.00 1.26 1.06 0.00 2.80 0.00 0.00 2.85 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.00 116 C 7.18 4.58 0.00 1.83 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 0.00 117 Q 6.56 3.44 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 118 N 8.73 4.22 0.00 2.82 2.83 0.00 0.00 6.87 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 0.00 119 R 7.33 4.58 0.00 1.82 1.78 0.00 3.24 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 120 D 8.56 4.51 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.23 5.27 2.44 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 1.34 0.00 0.00 1.08 0.00 0.00 122 R 7.88 4.16 0.00 1.97 2.01 0.00 3.35 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 123 Q 8.07 4.18 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 1.69 2.13 0.00 124 Y 7.66 4.29 0.00 3.24 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 0.00 125 V 7.71 4.43 2.14 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 1.13 0.00 0.00 1.06 0.00 0.00 126 Q 7.30 4.21 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 127 G 9.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.90 4.41 0.00 3.06 3.14 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 0.00 129 G 8.07 3.83 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 0.00 0.00 0.00 130 V 7.77 4.01 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 0.79 0.00 0.00 0.98 0.00 0.00