NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0829 8.3144 121.7873 56.1989 33.2559 175.0058 2 E 4.1946 8.6228 126.9646 52.8592 29.1799 172.8243 3 I 4.6429 7.6453 119.2338 58.8151 41.8254 174.1532 4 T 4.3364 8.1025 111.0459 61.1293 69.9344 173.2309 5 N 4.8516 8.1286 117.5319 53.0684 39.1890 173.2597 6 A 4.9554 7.7383 118.3352 50.2348 21.4457 177.4270 7 L 4.3567 7.7418 118.5875 53.0330 42.9913 177.0460 8 E 4.0156 8.9383 124.7549 57.3747 28.7709 175.8656 9 T 4.5992 8.1406 120.5154 61.6948 70.7321 173.8955 10 W 5.1473 8.6371 124.1756 55.5487 33.1067 175.1019 11 G 4.2310 8.6800 106.1329 46.7233 0.0000 171.8563 12 A 4.8037 8.3495 121.2624 50.6620 22.0351 176.5217 13 L 4.4680 7.8004 120.6142 55.5956 42.3178 177.5065 14 G 3.6251 8.7803 110.9825 46.8396 0.0000 171.6568 15 Q 4.6803 7.6067 118.9367 54.0588 33.6138 172.7032 16 D 5.1156 8.4345 118.1473 52.5357 44.6502 174.0506 17 I 4.6412 8.7268 125.0831 59.2057 42.3233 172.8101 18 N 5.1832 8.3626 120.9806 51.1782 40.8665 174.4196 19 L 4.5469 8.4332 117.0397 53.3923 43.9241 174.4223 20 D 5.3265 8.7039 121.9616 52.8008 40.8697 175.6152 21 I 4.4692 8.7797 123.7690 62.2577 39.0288 174.0227 22 P 4.3633 0.0000 0.0000 63.5883 31.0885 175.4515 23 S 4.6317 8.3298 117.5614 57.4310 62.2311 172.6770 24 F 4.8552 7.7955 112.5033 56.8001 39.8279 174.1971 25 Q 4.2369 8.1709 118.2183 54.1047 28.8222 175.0637 26 M 4.1588 6.4993 118.1053 55.0439 32.8349 175.9592 27 S 4.6118 7.9989 115.7792 59.4617 69.3006 176.7583 28 D 4.4648 8.1703 119.7584 54.7443 39.7145 176.3795 29 D 4.8361 7.9173 116.7258 53.6087 42.2368 174.9226 30 I 4.3025 7.4743 119.5521 60.7753 38.9556 173.4024 31 D 4.6967 8.7976 122.8257 54.9774 42.6486 174.2673 32 D 5.7335 8.4211 117.9217 51.8921 44.0990 174.4971 33 I 4.9810 8.4453 124.6022 59.4801 40.7883 174.2338 34 K 5.1087 8.8705 127.0955 54.5558 36.0772 174.9169 35 W 5.6766 9.0690 124.2634 55.3320 33.4335 173.8399 36 E 4.7771 9.3924 125.0767 54.4067 33.2150 174.8814 37 K 4.5576 8.2917 125.4508 54.6499 31.0769 176.3706 38 T 3.8747 8.4016 116.9012 64.6545 68.6597 175.6779 39 S 4.2405 8.2598 115.7476 60.8871 62.3333 174.6425 40 D 4.7301 7.4694 117.0646 53.7574 42.2248 174.9270 41 K 3.8769 7.5871 111.5302 56.4234 31.8936 175.5307 42 K 4.5118 7.3163 119.0968 54.6600 34.9756 175.7651 43 K 4.1705 8.7614 126.7390 58.0168 31.9944 176.1546 44 I 4.1478 8.5306 115.8462 61.6687 40.1597 175.3480 45 A 4.5987 7.9852 122.0519 50.9172 23.0419 175.0055 46 Q 5.2461 8.8626 118.8301 55.6479 33.6611 172.8999 47 F 5.0669 9.4893 121.5408 53.8861 42.7855 175.5520 48 R 4.4755 7.6181 123.7860 54.8626 30.2103 174.3074 49 K 4.0835 7.9241 120.2373 56.1346 33.1537 175.3434 50 E 4.5546 8.4856 116.8178 57.0231 29.4713 176.4533 51 K 4.4495 7.3941 117.0661 55.3696 33.6480 175.3830 52 E 4.9483 7.0681 113.4207 56.2119 30.6015 173.6734 53 T 4.8517 7.2931 118.0747 59.7182 71.3688 171.7798 54 F 5.0273 8.8513 120.4811 55.9732 41.9316 173.9246 55 K 4.1360 8.4545 118.6847 56.3618 32.8442 174.6726 56 E 3.9440 8.5936 124.9273 59.0497 29.3413 177.2065 57 K 4.5542 7.3659 116.2848 54.5157 36.3380 176.3825 58 D 4.3283 8.5665 119.1078 57.7841 40.9525 177.9792 59 T 3.9683 7.9720 113.6314 65.1693 68.3365 172.9786 60 Y 4.5237 7.8787 117.6015 56.9118 40.7392 174.5525 61 K 4.3327 8.5038 124.0031 54.5304 34.8594 175.4733 62 L 4.8310 8.0534 124.4400 53.5999 44.0112 175.7197 63 F 4.8505 8.8544 125.1968 55.7854 41.8832 177.0661 64 K 3.9346 9.0583 120.2735 59.9171 32.0035 177.8936 65 N 4.3823 8.1157 113.7130 54.3735 37.1966 175.5046 66 G 4.1943 7.9600 107.5514 45.4685 0.0000 173.7931 67 T 4.6697 8.2958 116.1805 63.2248 70.3176 173.3137 68 L 5.2646 8.3585 126.2689 52.4156 44.1585 175.8722 69 K 4.6728 8.6012 127.4616 55.9423 34.8105 175.2927 70 I 5.0526 8.5616 123.8709 59.7368 41.3859 174.3071 71 K 4.6544 8.5319 128.2442 55.2990 33.9847 172.3994 72 H 3.9475 8.9835 131.1054 56.0497 29.9387 174.9253 73 L 4.7251 8.2361 127.6468 52.7628 42.3144 175.8836 74 K 4.8361 7.3850 120.7087 55.3666 35.6318 177.8935 75 T 3.9620 8.5784 114.5580 67.0644 68.5092 175.4358 76 D 4.4903 8.1438 119.9474 56.3192 39.7556 176.7653 77 D 4.7004 7.8044 116.5614 54.0816 40.7814 175.4752 78 Q 4.5230 7.9038 121.7910 55.2586 29.9733 173.9385 79 D 4.8299 8.7980 125.6005 53.4634 45.4798 172.9591 80 I 5.1424 8.1947 117.8573 60.1472 40.2180 174.6555 81 Y 5.4977 9.1335 121.9846 56.9328 43.1586 173.7784 82 K 5.3923 8.9842 120.2555 55.5941 36.5951 174.5077 83 V 4.2428 8.6923 124.8506 59.4472 34.2283 174.5125 84 S 4.5226 8.7431 119.0763 56.7298 65.4752 173.1778 85 I 4.8260 8.3744 126.6149 59.9969 38.7053 175.1709 86 Y 5.1395 9.6811 125.5043 55.9635 40.5674 176.3124 87 D 5.1103 8.3060 120.7441 52.7312 42.1375 176.7305 88 T 3.9743 7.9269 107.8610 65.0485 68.9379 175.9627 89 K 4.0058 8.0902 119.9265 57.4188 32.1595 177.7384 90 G 4.0298 7.9608 106.9875 45.6719 0.0000 173.8660 91 K 4.3127 7.8964 118.6307 55.5932 33.4761 176.5600 92 N 3.9385 7.8877 119.5378 51.6367 36.7818 176.4730 93 V 3.6992 7.4902 113.9738 63.6735 32.5440 176.3231 94 L 4.4599 7.2287 119.0638 53.9431 45.6954 173.4618 95 E 5.0600 8.3898 122.2572 55.2039 32.8227 174.2647 96 K 4.4802 8.6220 118.8430 55.7369 37.5903 174.3151 97 I 5.0514 7.9733 122.3814 59.7440 40.5636 174.6964 98 F 5.1155 9.6243 124.1406 56.1228 43.4884 174.1393 99 D 4.6397 8.4121 118.8925 53.5900 42.9970 173.7523 100 L 4.2227 8.9829 129.5178 54.9314 42.6668 175.9910 101 K 4.6920 8.4778 123.5243 54.5849 36.5401 174.7650 102 I 4.7929 8.3523 120.8182 59.7985 40.2129 174.8539 103 Q 4.7723 8.5037 124.6410 54.6099 32.2538 175.8889 104 E 4.6206 8.3741 120.0786 54.4321 30.6339 175.7648 105 R 4.1305 8.0235 121.6204 56.0558 30.2213 175.6725 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 8.31 4.08 0.00 1.73 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 2 E 8.62 4.19 0.00 2.03 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 2.20 2.30 0.00 3 I 7.65 4.64 1.86 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 1.45 1.10 0.90 0.00 0.00 4 T 8.10 4.34 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 1.20 0.00 0.00 5 N 8.13 4.85 0.00 2.58 2.66 0.00 0.00 6.79 7.92 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 6 A 7.74 4.96 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 7 L 7.74 4.36 0.00 1.45 1.60 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.94 4.02 0.00 1.93 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 2.31 2.35 0.00 9 T 8.14 4.60 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 1.12 0.00 0.00 10 W 8.64 5.15 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.68 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 0.00 0.00 0.00 0.00 12 A 8.35 4.80 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 13 L 7.80 4.47 0.00 1.64 1.62 0.97 1.05 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 14 G 8.78 3.63 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 0.00 0.00 0.00 15 Q 7.61 4.68 0.00 2.27 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 16 D 8.43 5.12 0.00 2.68 2.42 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 17 I 8.73 4.64 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.74 0.00 0.00 18 N 8.36 5.18 0.00 2.75 2.67 0.00 0.00 5.85 7.73 0.00 0.00 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 L 8.43 4.55 0.00 0.97 0.53 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.70 5.33 0.00 2.69 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 21 I 8.78 4.47 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 1.35 0.00 0.00 22 P 0.00 4.36 0.00 2.26 2.46 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 23 S 8.33 4.63 0.00 3.71 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 24 F 7.80 4.86 0.00 3.04 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 25 Q 8.17 4.24 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.14 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 26 M 6.50 4.16 0.00 1.28 1.82 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 27 S 8.00 4.61 0.00 3.87 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 28 D 8.17 4.46 0.00 2.77 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 29 D 7.92 4.84 0.00 2.68 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 30 I 7.47 4.30 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 0.90 0.00 0.00 31 D 8.80 4.70 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.42 5.73 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.45 4.98 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.41 1.16 0.00 0.00 34 K 8.87 5.11 0.00 1.84 1.78 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 35 W 9.07 5.68 0.00 3.33 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 36 E 9.39 4.78 0.00 2.12 1.84 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 2.22 2.26 0.00 37 K 8.29 4.56 0.00 1.79 1.59 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.66 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.20 0.93 7.81 38 T 8.40 3.87 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 1.36 0.00 0.00 39 S 8.26 4.24 0.00 3.79 3.98 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 40 D 7.47 4.73 0.00 2.55 2.51 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 41 K 7.59 3.88 0.00 2.28 1.88 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.30 7.81 42 K 7.32 4.51 0.00 1.71 1.58 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.28 7.81 43 K 8.76 4.17 0.00 1.97 1.93 0.00 1.68 0.00 0.00 2.15 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 44 I 8.53 4.15 0.94 0.00 0.00 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 1.60 0.96 0.62 0.00 0.00 45 A 7.99 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.86 5.25 0.00 2.56 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 47 F 9.49 5.07 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.62 4.48 0.00 1.59 1.87 0.00 3.49 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 49 K 7.92 4.08 0.00 2.22 2.09 0.00 1.44 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.54 7.81 50 E 8.49 4.55 0.00 2.00 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 2.31 2.35 0.00 51 K 7.39 4.45 0.00 1.74 1.72 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.31 7.81 52 E 7.07 4.95 0.00 1.91 1.65 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 1.91 2.01 0.00 53 T 7.29 4.85 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 54 F 8.85 5.03 0.00 2.88 2.90 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 55 K 8.45 4.14 0.00 1.61 1.70 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.60 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.31 7.81 56 E 8.59 3.94 0.00 1.98 1.96 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 2.05 2.26 0.00 57 K 7.37 4.55 0.00 1.78 1.69 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.41 7.81 58 D 8.57 4.33 0.00 2.62 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 59 T 7.97 3.97 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 1.38 0.00 0.00 60 Y 7.88 4.52 0.00 2.66 2.75 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 61 K 8.50 4.33 0.00 1.35 0.74 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.36 7.81 62 L 8.05 4.83 0.00 1.67 1.87 1.36 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.85 4.85 0.00 3.13 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 64 K 9.06 3.93 0.00 1.81 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 N 8.12 4.38 0.00 2.90 2.96 0.00 0.00 6.26 7.00 0.00 0.00 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 G 7.96 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 67 T 8.30 4.67 4.38 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 1.17 0.00 0.00 68 L 8.36 5.26 0.00 0.27 0.13 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.60 4.67 0.00 2.74 1.74 0.00 1.79 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.59 7.81 70 I 8.56 5.05 1.53 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.26 0.35 0.00 0.00 71 K 8.53 4.65 0.00 1.83 1.66 0.00 1.74 0.00 0.00 0.80 0.00 0.00 2.67 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.28 7.81 72 H 8.98 3.95 0.00 3.28 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.24 4.73 0.00 1.64 1.50 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.39 4.84 0.00 1.93 1.95 0.00 1.57 0.00 0.00 2.00 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.60 7.81 75 T 8.58 3.96 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 1.24 0.00 0.00 76 D 8.14 4.49 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.80 4.70 0.00 2.78 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 78 Q 7.90 4.52 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 79 D 8.80 4.83 0.00 2.85 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 0.00 0.00 0.00 80 I 8.19 5.14 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 1.10 0.00 0.00 81 Y 9.13 5.50 0.00 3.18 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 82 K 8.98 5.39 0.00 1.91 1.71 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.79 7.81 83 V 8.69 4.24 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 0.70 0.00 0.00 0.05 0.00 0.00 84 S 8.74 4.52 0.00 4.20 4.12 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 0.00 0.00 0.00 0.00 85 I 8.37 4.83 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 1.08 0.00 0.00 86 Y 9.68 5.14 0.00 2.87 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 87 D 8.31 5.11 0.00 3.07 2.90 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 88 T 7.93 3.97 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 1.30 0.00 0.00 89 K 8.09 4.01 0.00 2.11 1.94 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.46 7.81 90 G 7.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.90 4.31 0.00 2.00 1.67 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 92 N 7.89 3.94 0.00 2.52 2.28 0.00 0.00 6.71 7.63 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 93 V 7.49 3.70 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 0.73 0.00 0.00 1.22 0.00 0.00 94 L 7.23 4.46 0.00 1.47 1.14 0.67 0.02 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 95 E 8.39 5.06 0.00 1.86 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 2.09 2.28 0.00 96 K 8.62 4.48 0.00 1.74 1.40 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.03 1.22 7.81 97 I 7.97 5.05 1.85 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 1.36 0.67 0.99 0.00 0.00 98 F 9.62 5.12 0.00 3.20 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 99 D 8.41 4.64 0.00 2.72 2.46 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 0.00 100 L 8.98 4.22 0.00 1.51 1.99 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.48 4.69 0.00 0.79 0.92 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.93 1.05 7.81 102 I 8.35 4.79 1.96 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 1.28 0.93 0.98 0.00 0.00 103 Q 8.50 4.77 0.00 1.90 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 104 E 8.37 4.62 0.00 1.93 1.82 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 2.25 2.30 0.00 105 R 8.02 4.13 0.00 1.65 1.81 0.00 3.39 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00