NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3260 8.3149 120.1406 56.1132 33.5350 175.3413 7 L 4.3038 8.3232 122.4775 53.6712 42.6434 174.4645 8 H 4.9671 9.3420 121.2813 54.2438 33.7033 172.5534 9 K 4.6014 8.2265 125.1692 55.7338 33.3328 175.9297 10 E 4.9619 9.0467 123.1302 53.7597 33.6090 173.7744 11 P 5.0038 0.0000 0.0000 63.2050 32.6823 174.6647 12 A 4.8750 8.2674 121.2956 51.5688 23.2389 175.5394 13 T 4.6143 8.7791 114.8859 61.3760 72.1686 174.0663 14 L 4.1691 8.7897 128.5656 56.0850 42.2868 175.2999 15 I 4.3952 8.3792 125.8236 62.0374 38.9966 175.7880 16 K 4.5442 7.5785 120.3529 55.3076 35.6513 173.7755 17 A 4.5661 8.6974 130.5732 51.9511 19.3698 176.8506 18 I 4.1509 8.3573 123.5469 62.9040 38.5222 174.8241 19 D 4.5889 8.2180 117.8957 53.0306 44.3535 175.7694 20 G 3.6585 8.7797 109.3488 47.8010 0.0000 174.0466 21 D 4.9175 8.0935 116.9095 53.0281 40.1311 175.2078 22 T 5.2194 7.6869 116.8887 62.4885 73.0088 173.3322 23 V 4.7608 8.9024 118.2298 59.5751 36.6884 174.0266 24 K 5.0382 9.2908 125.7699 55.1963 34.0442 175.2608 25 L 5.2951 9.5617 126.1670 53.2714 46.8747 175.0289 26 M 4.8388 9.2652 121.0563 54.5155 33.7769 174.1104 27 Y 4.9796 8.8378 128.0092 55.8949 41.9466 175.6582 28 K 3.6983 9.3339 127.3633 57.5243 29.5880 176.4777 29 G 4.0032 8.3300 104.6695 45.4696 0.0000 173.3483 30 Q 4.7540 7.8203 118.3816 53.3936 31.3699 173.5471 31 P 4.9196 0.0000 0.0000 63.2506 32.3304 175.3366 32 M 4.8114 9.4263 122.2884 54.7778 36.4065 173.2982 33 T 4.8790 8.4734 121.4680 62.6551 70.7557 173.4605 34 F 5.1224 9.5798 125.1291 55.6315 42.0972 174.2538 35 R 4.9864 8.9750 124.4214 54.4304 31.8745 175.1119 36 L 4.3722 8.6614 127.5047 54.5975 41.6911 177.2493 37 L 3.8841 8.7247 125.2752 55.6276 42.8929 177.9769 38 L 4.1621 8.8542 120.2177 55.4237 39.4086 174.0195 39 V 5.0660 7.3724 110.4434 59.6554 35.5502 174.7658 40 D 5.0717 9.2679 124.3491 52.8114 43.3446 175.3612 41 T 4.8870 8.3930 113.3906 58.9444 71.7732 172.4164 42 P 4.3995 0.0000 0.0000 62.8800 32.5950 175.6989 43 E 4.7237 9.1928 123.5100 55.4329 31.5176 176.7731 44 T 4.5456 8.4383 109.2413 61.7369 70.5990 175.1958 45 K 4.5720 7.8765 120.9995 55.8999 33.1485 175.5133 46 H 4.6002 8.4071 119.3709 54.7422 30.2069 174.3028 47 P 4.2766 0.0000 0.0000 64.9049 31.3140 177.0111 48 K 4.3516 7.6041 116.4684 56.9786 33.9105 177.0148 49 K 4.3254 8.1734 116.1027 55.8330 35.0708 178.3017 50 G 3.7526 9.0453 109.0320 44.7019 0.0000 174.5415 51 V 4.5830 8.8104 120.3485 61.3688 33.7462 174.7346 52 E 4.5623 8.8562 128.5704 54.4231 32.4754 175.0128 53 K 3.9570 8.3193 121.7997 57.8603 32.2551 176.9808 54 Y 4.3992 8.0768 122.0479 59.0232 36.2364 171.5072 55 G 3.7643 7.8976 108.0204 47.4574 0.0000 174.3746 56 P 4.3514 0.0000 0.0000 64.8484 31.3970 178.7182 57 E 4.0029 8.2007 116.9574 59.3730 29.5698 178.9959 58 A 4.0227 8.3526 121.0682 55.4079 18.5018 179.8421 59 S 4.1951 8.2671 113.4560 61.6708 62.7724 176.9183 60 A 4.0182 8.1613 123.5388 54.9498 18.1494 179.3508 61 F 3.9054 8.4731 119.2837 61.8245 39.5269 177.4761 62 T 3.9248 8.2128 115.2280 66.4506 68.2709 176.4546 63 K 3.8749 8.1263 121.4622 59.5192 32.2557 178.6986 64 K 3.8717 8.2328 120.0825 59.5573 31.8514 178.3675 65 M 3.8503 7.5640 117.4767 58.8005 31.9638 178.3333 66 V 3.8027 7.8251 112.3960 64.1829 31.5759 178.5173 67 E 4.0199 8.1485 117.5993 59.0903 29.4435 177.7579 68 N 4.5039 7.9926 114.2064 54.1609 39.1145 175.5585 69 A 4.7934 7.6319 120.6072 51.5260 18.8782 177.4643 70 K 4.3685 8.7231 119.2687 57.0911 33.9797 176.9211 71 K 4.5575 7.9237 119.3814 55.0585 36.3563 174.9238 72 I 5.0242 8.4741 125.7472 59.5745 40.1704 174.5816 73 E 5.1254 9.2011 124.8350 54.7039 33.8306 174.9396 74 V 4.5613 8.8794 116.4001 59.5064 34.8564 174.7080 75 E 4.9532 9.0206 124.9910 54.3980 32.0692 175.0302 76 F 4.7019 8.8617 125.7268 57.6661 40.0587 175.9391 77 D 5.0470 8.5093 121.0447 53.8121 43.0022 175.8242 78 K 4.3876 8.9151 116.1488 57.8478 33.5073 178.3034 79 G 4.1915 8.2935 112.2458 44.8883 0.0000 174.5934 80 Q 4.1277 8.6241 123.0483 56.4393 29.3462 176.4413 81 R 4.7207 8.3803 117.2214 56.4798 31.7936 175.6879 82 T 5.1627 7.6111 108.6040 59.9146 72.1554 173.4897 83 D 4.8453 8.9236 124.5520 51.7196 41.7135 177.1820 84 K 3.6965 8.5926 116.9657 59.8412 32.2737 177.1120 85 Y 4.2988 7.9758 115.1357 57.6935 37.9131 175.9932 86 G 3.8966 8.3751 108.2394 45.6763 0.0000 173.6995 87 R 4.4041 8.4882 119.8025 54.7555 31.6864 176.5347 88 G 3.5272 8.5786 111.6048 46.2253 0.0000 172.4772 89 L 5.3733 8.9694 123.7971 53.1852 43.1198 175.5625 90 A 4.5064 8.4840 124.9609 51.0549 23.7033 173.8548 91 Y 4.7513 8.8497 117.3617 56.9938 39.7787 175.2819 92 I 4.7398 8.6546 125.2131 59.7398 39.8759 174.2149 93 Y 5.1607 9.2702 123.9278 56.0432 41.2622 174.5518 94 A 4.8388 9.2056 125.7243 50.1087 21.6937 176.2565 95 D 4.2911 10.0286 125.3424 56.0797 39.0052 176.2356 96 G 4.0360 8.3830 105.3724 45.3732 0.0000 173.5914 97 K 4.5699 7.9714 120.3269 54.8162 33.9128 175.3493 98 M 4.0875 8.5323 123.0810 54.9159 33.1486 177.0883 99 V 3.6297 8.6529 127.3079 66.1330 31.6274 177.5697 100 N 4.3138 8.0665 115.7545 56.4859 38.4453 176.8275 101 E 3.8839 8.0752 119.7642 59.0552 29.8721 178.2517 102 A 4.0551 8.1086 120.8737 55.3053 18.4193 179.5843 103 L 3.5225 8.0039 117.2469 57.8474 41.7147 180.0091 104 V 3.8420 7.4036 119.4575 65.5517 31.2785 178.0265 105 R 3.9058 8.2355 117.6420 59.1741 29.9686 177.5779 106 Q 4.2501 7.7342 115.1957 55.2029 29.2288 176.1892 107 G 3.9898 7.9645 108.7638 46.6662 0.0000 174.6808 108 L 4.4704 7.6786 116.6557 53.9148 42.2729 176.2388 109 A 4.6921 7.5019 119.4636 50.9574 22.5404 175.8112 110 K 4.9279 8.7442 119.6233 54.6222 35.4524 175.7974 111 V 4.3648 8.6176 122.6380 62.6545 31.9849 176.0119 112 A 4.4661 8.4482 129.9694 51.0205 19.8655 176.4156 113 Y 3.7827 8.6093 120.1927 57.7578 38.9822 175.4155 114 A 4.4576 8.2174 130.3890 51.1988 20.4337 175.7498 115 Y 4.6846 8.2924 118.2756 55.6813 40.2036 175.5383 116 A 4.4252 8.7288 127.9822 52.1415 18.9542 175.2928 117 P 4.5959 0.0000 0.0000 63.3582 32.2894 177.1574 118 N 5.0128 7.9291 118.7176 51.8388 37.1484 175.5455 119 N 5.1196 7.7017 111.3402 53.3009 38.8239 177.3720 120 T 3.8373 8.5344 118.3534 67.7329 68.6496 174.9148 121 H 4.8337 7.9968 116.1047 55.6965 29.2034 176.4086 122 E 3.9711 8.4168 123.1999 59.8097 29.3346 179.1333 123 Q 4.0560 8.0528 117.4138 58.9752 28.7817 178.0151 124 H 4.1519 8.1827 118.8567 59.2910 29.9854 177.1773 125 L 3.8867 8.1463 120.9056 57.9694 41.4681 179.7832 126 R 3.9022 8.4294 118.2926 59.0944 29.8877 179.3450 127 K 3.9444 8.0137 118.5277 59.5272 32.0258 179.6058 128 S 4.1182 7.7827 115.1012 61.2966 62.6742 176.3324 129 E 3.8440 8.2633 122.1374 59.0890 29.3769 178.7117 130 A 3.7086 8.0064 120.9735 54.9686 18.3744 179.4527 131 Q 3.7913 7.8398 117.5012 59.2343 29.2416 178.2322 132 A 3.9816 7.9896 121.8374 54.9639 18.3632 179.8501 133 K 3.4999 7.6387 117.0310 59.4311 31.8322 179.7864 134 K 3.9438 7.7503 117.4277 58.9299 32.0124 178.2774 135 E 4.2637 7.8727 116.1258 55.1305 30.7229 175.9915 136 K 4.2047 7.6166 117.6614 56.0262 30.5492 175.0154 137 L 4.4264 7.9419 117.9858 55.4281 44.7383 178.6545 138 N 3.5473 8.5891 117.5850 52.5756 38.8842 176.9005 139 I 3.3531 5.8570 128.9846 64.9266 37.1392 176.1979 140 W 4.8700 8.4379 118.9047 56.4612 29.0449 176.6230 141 S 4.4509 8.3615 120.1893 58.4924 62.6838 173.8911 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 4.33 0.00 1.77 1.85 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.55 7.81 7 L 8.32 4.30 0.00 1.79 1.72 1.05 0.86 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 8 H 9.34 4.97 0.00 3.07 3.23 0.00 5.91 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 9 K 8.23 4.60 0.00 1.50 1.57 0.00 1.41 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.24 7.81 10 E 9.05 4.96 0.00 2.06 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 2.43 2.41 0.00 11 P 0.00 5.00 0.00 2.10 2.06 0.00 3.85 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 2.03 2.00 0.00 12 A 8.27 4.87 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 13 T 8.78 4.61 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 14 L 8.79 4.17 0.00 1.63 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.40 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.94 0.00 0.00 16 K 7.58 4.54 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 A 8.70 4.57 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 18 I 8.36 4.15 2.02 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 1.33 0.94 0.91 0.00 0.00 19 D 8.22 4.59 0.00 2.66 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 20 G 8.78 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 21 D 8.09 4.92 0.00 2.86 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 22 T 7.69 5.22 4.26 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 1.28 0.00 0.00 23 V 8.90 4.76 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 0.70 0.00 0.00 0.94 0.00 0.00 24 K 9.29 5.04 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 25 L 9.56 5.30 0.00 1.73 1.54 0.31 0.64 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 26 M 9.27 4.84 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 27 Y 8.84 4.98 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.33 3.70 0.00 1.46 1.63 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.07 0.49 7.81 29 G 8.33 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 0.00 0.00 0.00 30 Q 7.82 4.75 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 31 P 0.00 4.92 0.00 2.00 2.08 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 32 M 9.43 4.81 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 33 T 8.47 4.88 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 1.23 0.00 0.00 34 F 9.58 5.12 0.00 3.05 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 8.98 4.99 0.00 1.91 1.94 0.00 3.34 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 36 L 8.66 4.37 0.00 1.58 1.61 0.93 0.98 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 8.72 3.88 0.00 1.11 1.22 0.30 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.85 4.16 0.00 2.02 1.86 1.16 0.96 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 39 V 7.37 5.07 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 0.82 0.00 0.00 0.95 0.00 0.00 40 D 9.27 5.07 0.00 2.56 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 41 T 8.39 4.89 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 1.21 0.00 0.00 42 P 0.00 4.40 0.00 2.10 2.12 0.00 3.57 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 2.17 2.08 0.00 43 E 9.19 4.72 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 44 T 8.44 4.55 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 1.24 0.00 0.00 45 K 7.88 4.57 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.38 7.81 46 H 8.41 4.60 0.00 3.16 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.77 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 4.28 0.00 2.13 2.09 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 48 K 7.60 4.35 0.00 1.62 1.83 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 49 K 8.17 4.33 0.00 1.90 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.51 7.81 50 G 9.05 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.81 4.58 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 0.83 0.00 0.00 0.98 0.00 0.00 52 E 8.86 4.56 0.00 1.90 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 2.22 2.19 0.00 53 K 8.32 3.96 0.00 1.64 1.59 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.62 1.12 7.81 54 Y 8.08 4.40 0.00 3.20 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 55 G 7.90 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 56 P 0.00 4.35 0.00 2.18 2.12 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 57 E 8.20 4.00 0.00 2.45 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 2.68 2.56 0.00 58 A 8.35 4.02 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 59 S 8.27 4.20 0.00 3.92 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 60 A 8.16 4.02 1.45 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 0.00 0.00 0.00 61 F 8.47 3.91 0.00 3.31 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 8.21 3.92 4.30 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 1.24 0.00 0.00 63 K 8.13 3.87 0.00 1.93 1.99 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.45 7.81 64 K 8.23 3.87 0.00 1.83 1.60 0.00 1.58 0.00 0.00 1.34 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.38 7.81 65 M 7.56 3.85 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 66 V 7.83 3.80 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 0.83 0.00 0.00 1.02 0.00 0.00 67 E 8.15 4.02 0.00 2.00 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 2.42 0.00 68 N 7.99 4.50 0.00 2.73 2.83 0.00 0.00 6.99 7.10 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 69 A 7.63 4.79 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 70 K 8.72 4.37 0.00 1.90 1.93 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 71 K 7.92 4.56 0.00 1.67 1.69 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 72 I 8.47 5.02 1.85 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 1.33 1.10 0.84 0.00 0.00 73 E 9.20 5.13 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 74 V 8.88 4.56 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 75 E 9.02 4.95 0.00 2.28 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 2.48 2.56 0.00 76 F 8.86 4.70 0.00 3.09 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 77 D 8.51 5.05 0.00 2.74 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 78 K 8.92 4.39 0.00 1.94 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 G 8.29 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 8.62 4.13 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.38 4.72 0.00 1.45 1.28 0.00 2.63 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 82 T 7.61 5.16 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 1.14 0.00 0.00 83 D 8.92 4.85 0.00 2.74 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 84 K 8.59 3.70 0.00 1.57 1.79 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.09 0.49 7.81 85 Y 7.98 4.30 0.00 3.11 3.01 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 86 G 8.38 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 87 R 8.49 4.40 0.00 2.04 1.82 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 88 G 8.58 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 89 L 8.97 5.37 0.00 1.55 1.64 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.48 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.85 4.75 0.00 2.98 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 92 I 8.65 4.74 1.75 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.75 0.80 0.00 0.00 93 Y 9.27 5.16 0.00 2.76 2.81 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 0.00 0.00 0.00 94 A 9.21 4.84 1.19 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 95 D 10.03 4.29 0.00 2.85 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 96 G 8.38 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 0.00 0.00 0.00 97 K 7.97 4.57 0.00 1.94 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.53 4.09 0.00 1.93 1.65 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.38 0.00 99 V 8.65 3.63 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 1.03 0.00 0.00 0.94 0.00 0.00 100 N 8.07 4.31 0.00 2.91 2.92 0.00 0.00 6.76 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 8.08 3.88 0.00 1.95 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 2.22 2.19 0.00 102 A 8.11 4.06 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.00 3.52 0.00 1.85 1.64 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.40 3.84 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 1.21 0.00 0.00 0.97 0.00 0.00 105 R 8.24 3.91 0.00 1.99 2.07 0.00 3.32 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 Q 7.73 4.25 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.27 0.00 0.00 0.00 0.00 0.00 2.30 1.77 0.00 107 G 7.96 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 0.00 0.00 0.00 108 L 7.68 4.47 0.00 1.35 1.52 0.49 0.38 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 0.00 109 A 7.50 4.69 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 0.00 110 K 8.74 4.93 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.58 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.16 7.81 111 V 8.62 4.36 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 0.78 0.00 0.00 0.96 0.00 0.00 112 A 8.45 4.47 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 0.00 113 Y 8.61 3.78 0.00 2.93 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 0.00 114 A 8.22 4.46 1.23 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 0.00 0.00 115 Y 8.29 4.68 0.00 3.13 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 0.00 116 A 8.73 4.43 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 0.00 117 P 0.00 4.60 0.00 2.11 2.14 0.00 3.73 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 2.05 2.14 0.00 118 N 7.93 5.01 0.00 2.99 2.87 0.00 0.00 6.70 8.02 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 0.00 119 N 7.70 5.12 0.00 2.90 3.01 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 8.53 3.84 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 1.09 0.00 0.00 121 H 8.00 4.83 0.00 2.89 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.42 3.97 0.00 2.23 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 2.32 2.38 0.00 123 Q 8.05 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 124 H 8.18 4.15 0.00 3.21 3.51 0.00 5.87 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 8.15 3.89 0.00 1.89 1.71 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.43 3.90 0.00 1.78 1.93 0.00 3.13 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 127 K 8.01 3.94 0.00 1.98 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 128 S 7.78 4.12 0.00 3.90 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 0.00 129 E 8.26 3.84 0.00 2.01 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 1.95 2.44 0.00 130 A 8.01 3.71 1.24 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 0.00 0.00 131 Q 7.84 3.79 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 132 A 7.99 3.98 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 0.00 133 K 7.64 3.50 0.00 1.55 1.44 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.28 7.81 134 K 7.75 3.94 0.00 1.82 1.82 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.49 7.81 135 E 7.87 4.26 0.00 1.94 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 2.28 2.55 0.00 136 K 7.62 4.20 0.00 1.89 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.36 7.81 137 L 7.94 4.43 0.00 1.79 1.62 0.94 0.72 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 8.59 3.55 0.00 2.43 1.42 0.00 0.00 7.58 7.31 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 0.00 139 I 5.86 3.35 1.19 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.01 -0.29 0.00 0.00 140 W 8.44 4.87 0.00 3.39 3.13 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 0.00 141 S 8.36 4.45 0.00 3.99 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