NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2925 8.2993 120.1355 56.2018 33.6621 175.2201 2 K 4.3369 7.7372 116.9633 54.2300 34.7905 173.7516 3 P 4.8367 0.0000 0.0000 62.6855 33.4277 176.8089 4 K 4.8365 8.7577 119.1974 54.9799 36.9611 175.6731 5 L 5.0065 8.5256 122.1059 53.8780 44.0331 176.1073 6 L 5.1877 8.6600 122.4781 53.6662 43.3710 174.4194 7 Y 4.7816 9.4214 127.0299 56.4606 40.8335 173.5484 8 C 4.2759 7.9162 127.7774 57.1418 32.8113 174.4106 9 S 3.7643 7.6952 122.2670 61.2596 63.1439 175.2340 10 N 4.3691 7.5195 119.2025 51.4726 36.3721 172.5391 11 G 3.9736 8.4965 110.5386 43.7902 0.0000 171.3540 12 G 3.3481 7.3616 105.6631 46.6218 0.0000 172.7624 13 H 4.8785 7.1372 114.4120 53.5326 32.5501 174.6968 14 F 5.1220 8.8205 120.9496 56.6711 40.7341 174.8987 15 L 4.6433 9.2770 126.1157 55.0781 43.4581 175.4490 16 R 4.9653 9.0676 126.2383 54.6852 33.2237 174.0701 17 I 4.4407 8.3303 127.5724 59.2542 38.1014 175.6039 18 L 4.0752 8.8140 127.7944 53.5960 42.1809 177.0649 19 P 4.1586 0.0000 0.0000 65.4467 31.2942 176.9866 20 D 4.5518 8.0763 114.9633 53.1889 40.0033 177.0769 21 G 4.0251 8.5113 109.5496 45.7465 0.0000 173.7842 22 T 4.2666 7.9135 116.5978 63.2998 69.0160 173.4901 23 V 4.8091 8.1868 124.2871 61.1242 34.1741 174.3173 24 D 4.6182 8.6515 125.4787 52.8192 42.4728 173.8872 25 G 4.5434 8.9386 105.3160 45.2318 0.0000 173.1551 26 T 4.9542 8.8313 115.8607 60.0835 70.3848 175.1991 27 R 3.9418 8.9947 126.7548 58.1855 30.5636 176.1764 28 D 4.5690 8.1456 118.5878 53.5908 40.5245 176.5005 29 R 3.6963 8.5255 127.0258 57.7160 30.5244 177.4168 30 S 4.2111 8.3961 113.3750 61.2929 63.0290 174.3425 31 D 4.2933 7.8788 119.3139 54.6291 41.1180 177.7405 32 Q 3.7104 8.6603 124.9671 58.4207 29.1874 176.4974 33 H 4.7754 9.8280 115.3432 55.5205 29.0036 175.8179 34 I 4.6978 7.0619 111.5952 60.2314 38.2930 175.5133 35 Q 4.3161 7.7388 122.1199 55.6597 29.8258 174.8762 36 L 5.2504 8.8028 123.3591 52.8246 46.6581 175.2574 37 Q 4.7267 9.0427 122.2745 54.4969 31.7359 174.3876 38 L 4.8741 8.7033 127.3528 53.6786 41.6764 175.9214 39 S 4.6050 9.6607 121.3928 56.4986 63.6405 173.1740 40 A 4.9120 8.5355 130.4103 50.8713 18.0777 177.6151 41 E 4.2019 8.9631 125.3472 57.5236 29.0189 180.3336 42 S 4.3592 9.2005 109.5003 57.7528 64.4878 175.7015 43 V 3.5774 8.6501 116.8324 64.8820 31.8620 177.7923 44 G 3.9039 8.3808 107.9802 48.3941 0.0000 172.8102 45 E 5.2575 8.0947 118.6839 54.7157 32.3753 175.7641 46 V 4.8940 8.8532 114.0081 59.9748 36.5524 174.2326 47 Y 5.0267 9.9213 121.5523 57.3283 39.6737 174.8859 48 I 4.5240 8.6644 125.6702 59.9899 38.4726 174.0394 49 K 4.6832 8.9960 129.6543 53.9313 34.4969 175.3820 50 S 4.6066 8.6955 123.0841 59.0926 62.6479 174.9962 51 T 3.9362 8.5111 117.8705 64.2916 68.8971 176.0640 52 E 4.0326 8.3962 122.9225 58.9384 29.9487 177.1641 53 T 4.3879 7.7963 106.0428 60.4828 69.0954 175.2001 54 G 3.7952 7.8506 108.4879 46.4587 0.0000 174.1091 55 Q 4.4442 7.3808 119.0740 55.7068 30.6073 174.3810 56 Y 5.0551 8.8226 118.1514 55.7976 41.2173 175.5610 57 L 4.2346 8.7969 126.4846 55.7734 43.5495 175.5424 58 A 5.1461 8.2281 124.9203 51.3977 23.0339 174.6776 59 M 5.3845 9.2481 120.0751 53.8409 35.1524 175.1580 60 D 5.4646 9.0536 123.8838 50.8581 41.6697 177.2870 61 T 3.7606 8.5647 109.5150 64.6044 68.3123 174.3076 62 D 4.9142 8.4824 119.6628 53.6656 41.3170 176.3101 63 G 3.5832 9.1112 107.5540 46.1410 0.0000 173.1669 64 L 4.6819 7.9236 121.5550 53.1114 43.2326 175.8106 65 L 4.8402 8.3549 125.8746 55.1901 42.3811 175.7714 66 Y 5.0009 8.5133 119.7382 55.7662 41.9493 173.6968 67 G 4.0677 9.0719 109.4122 45.5242 0.0000 173.2162 68 S 5.0643 9.6356 123.3472 57.0794 64.2006 175.7056 69 Q 4.1883 9.2034 124.1389 58.3188 28.8494 176.9760 70 T 4.6336 7.6753 113.7174 60.6070 70.9735 172.6290 71 P 3.6028 0.0000 0.0000 62.8566 28.9883 175.4803 72 N 4.9170 7.6334 124.3811 52.0090 40.2267 175.1575 73 E 4.0903 8.5800 114.2393 59.4990 29.7501 177.7990 74 E 4.3019 8.2324 117.2289 57.1551 29.3763 177.1576 75 C 5.3878 7.6073 115.3690 58.7000 29.5811 173.1273 76 L 4.3662 7.3768 123.2316 53.4326 43.5542 174.9086 77 F 5.1605 8.7210 124.4144 55.5725 43.0281 174.2809 78 L 4.7328 9.4079 124.1387 54.1238 42.6486 175.6876 79 E 4.6891 8.7035 126.7150 55.0776 30.1815 175.2809 80 R 4.7278 8.2262 126.2860 54.1783 33.3482 175.4122 81 L 4.7262 8.5243 123.6655 54.5496 42.9120 176.7128 82 E 4.5148 9.2314 123.0608 55.0284 32.2807 176.6667 83 E 3.9474 9.0112 118.1826 60.0090 29.7173 178.1399 84 N 4.8214 8.8031 114.8814 53.5965 38.5576 175.7499 85 H 3.9457 8.0706 112.4910 56.8484 27.0465 174.7582 86 Y 4.3972 7.5194 116.7051 58.0648 39.3101 174.4662 87 N 5.4588 9.3414 119.2976 52.3199 41.4571 174.2913 88 T 5.1322 8.6323 111.0414 60.4202 73.3055 172.7754 89 Y 4.8026 8.5945 118.7912 57.0413 41.5992 174.0336 90 I 4.6765 8.5796 125.8932 59.1331 40.0975 175.5781 91 S 3.7604 9.6790 122.4646 58.3295 62.7401 174.3733 92 K 3.7816 8.7748 129.4105 59.3845 32.4340 179.0814 93 K 4.0974 7.2239 119.4323 59.7650 32.9543 176.8374 94 H 4.5066 8.2090 114.4455 56.0201 28.8228 177.5751 95 A 4.1776 9.5164 123.4161 55.7684 18.2217 180.3266 96 E 4.1402 7.9405 110.6966 57.3938 29.7177 177.1121 97 K 4.1371 8.0296 120.1898 55.4755 33.6317 174.9131 98 N 3.9150 7.7991 114.5210 54.5339 35.7220 174.7803 99 W 5.0314 7.5392 118.1515 55.6418 30.8284 177.5388 100 F 4.9748 9.2672 124.6374 56.1095 40.0045 176.3701 101 V 3.8116 8.9387 122.5160 63.3290 32.3213 175.2214 102 G 4.9897 8.6720 113.1960 44.7913 0.0000 171.2941 103 L 5.2338 8.1921 121.1494 52.4654 45.0600 177.0550 104 K 4.1926 9.1080 123.6705 55.2895 32.9025 177.8436 105 K 3.8104 8.5398 121.3815 59.2741 31.9210 177.1263 106 N 4.5352 7.9246 114.1917 52.6588 38.2325 175.1687 107 G 3.5302 7.4725 105.9930 45.0026 0.0000 173.6914 108 S 4.6634 8.4750 116.2351 57.4566 64.5709 173.7007 109 C 4.5252 8.7071 122.5793 60.1017 32.0944 172.3468 110 K 4.5433 8.4292 125.1780 54.7102 33.6279 176.5397 111 R 4.2561 8.5698 125.6352 55.9227 30.9657 177.5656 112 G 3.0056 8.5202 111.5479 48.1133 0.0000 174.0451 113 P 3.7289 0.0000 0.0000 64.6297 31.3273 177.4311 114 R 4.3758 7.3160 113.8686 55.9163 30.5029 176.5486 115 T 4.2565 8.3009 110.6233 61.1607 69.4398 173.4751 116 H 4.8893 8.3563 123.1955 54.4395 33.3156 172.1837 117 Y 3.8042 7.9728 121.5764 59.1117 38.1781 178.5139 118 G 4.0117 8.7141 107.7841 46.2809 0.0000 174.3629 119 Q 4.0209 7.4547 120.1443 55.6522 29.0824 177.5736 120 K 3.8029 8.5171 121.8151 58.5910 32.6913 178.9300 121 A 3.9629 7.8552 121.7383 54.0032 18.3752 178.3130 122 I 4.5301 6.8597 106.9247 59.8466 38.3465 175.4698 123 L 4.4271 7.2286 123.3408 54.0917 42.5216 175.5201 124 F 5.1806 9.3542 123.3462 55.5019 42.3274 174.3444 125 L 5.0845 9.4668 125.5489 52.7385 44.0180 173.6324 126 P 5.1123 0.0000 0.0000 62.7946 31.9927 175.7776 127 L 4.9915 9.1624 124.5632 52.1752 45.5293 174.3459 128 P 4.9055 0.0000 0.0000 62.4270 32.2935 176.2102 129 V 4.3598 7.8231 121.0421 61.0178 34.5645 175.6872 130 S 4.2704 8.7352 117.6064 59.1358 62.3007 169.6556 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 8.30 4.29 0.00 1.76 2.14 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 2 K 7.74 4.34 0.00 1.92 1.79 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 P 0.00 4.84 0.00 1.93 1.99 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 4 K 8.76 4.84 0.00 1.68 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 5 L 8.53 5.01 0.00 1.82 1.75 0.23 0.49 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 6 L 8.66 5.19 0.00 1.66 1.83 0.39 0.91 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 7 Y 9.42 4.78 0.00 3.22 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 8 C 7.92 4.28 0.00 2.20 2.34 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 9 S 7.70 3.76 0.00 3.62 3.67 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 10 N 7.52 4.37 0.00 2.56 2.54 0.00 0.00 7.21 7.98 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 11 G 8.50 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 12 G 7.36 3.35 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 0.00 13 H 7.14 4.88 0.00 2.97 3.21 0.00 5.81 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 14 F 8.82 5.12 0.00 3.12 3.08 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 15 L 9.28 4.64 0.00 1.99 1.62 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 R 9.07 4.97 0.00 1.97 2.06 0.00 3.28 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 17 I 8.33 4.44 1.85 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 1.18 0.73 0.90 0.00 0.00 18 L 8.81 4.08 0.00 1.84 1.60 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.16 0.00 1.99 2.11 0.00 3.50 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 20 D 8.08 4.55 0.00 2.79 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 21 G 8.51 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 22 T 7.91 4.27 4.25 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 1.23 0.00 0.00 23 V 8.19 4.81 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 0.84 0.00 0.00 0.92 0.00 0.00 24 D 8.65 4.62 0.00 2.99 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 25 G 8.94 4.54 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 26 T 8.83 4.95 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 1.36 0.00 0.00 27 R 8.99 3.94 0.00 1.87 2.02 0.00 3.22 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 0.00 28 D 8.15 4.57 0.00 2.86 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 29 R 8.53 3.70 0.00 1.82 1.87 0.00 3.32 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.00 30 S 8.40 4.21 0.00 4.12 3.88 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 31 D 7.88 4.29 0.00 2.79 2.60 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 32 Q 8.66 3.71 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 33 H 9.83 4.78 0.00 3.18 3.49 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.06 4.70 1.95 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 1.46 1.56 1.06 0.00 0.00 35 Q 7.74 4.32 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 36 L 8.80 5.25 0.00 1.61 1.43 0.85 0.43 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 37 Q 9.04 4.73 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 38 L 8.70 4.87 0.00 1.60 1.68 0.97 0.76 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 39 S 9.66 4.61 0.00 3.94 4.09 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 40 A 8.54 4.91 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 41 E 8.96 4.20 0.00 1.88 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 2.30 2.37 0.00 42 S 9.20 4.36 0.00 4.03 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 43 V 8.65 3.58 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 0.71 0.00 0.00 0.93 0.00 0.00 44 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 45 E 8.09 5.26 0.00 1.83 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 2.17 2.21 0.00 46 V 8.85 4.89 2.15 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 0.82 0.00 0.00 1.18 0.00 0.00 47 Y 9.92 5.03 0.00 3.19 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 48 I 8.66 4.52 1.64 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.42 0.68 0.00 0.00 49 K 9.00 4.68 0.00 1.57 1.46 0.00 0.96 0.00 0.00 1.07 0.00 0.00 2.64 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.88 0.30 7.81 50 S 8.70 4.61 0.00 3.88 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 51 T 8.51 3.94 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 1.17 0.00 0.00 52 E 8.40 4.03 0.00 2.01 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 2.24 2.38 0.00 53 T 7.80 4.39 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 1.24 0.00 0.00 54 G 7.85 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.38 4.44 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 56 Y 8.82 5.06 0.00 2.98 2.86 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 0.00 0.00 0.00 57 L 8.80 4.23 0.00 1.63 1.43 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.23 5.15 0.77 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 0.00 0.00 59 M 9.25 5.38 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 60 D 9.05 5.46 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 61 T 8.56 3.76 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 1.28 0.00 0.00 62 D 8.48 4.91 0.00 2.83 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 63 G 9.11 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 64 L 7.92 4.68 0.00 1.77 1.92 0.92 0.74 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 65 L 8.35 4.84 0.00 1.59 1.57 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.51 5.00 0.00 3.14 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 67 G 9.07 4.07 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 0.00 0.00 0.00 68 S 9.64 5.06 0.00 3.94 4.16 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 69 Q 9.20 4.19 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 70 T 7.68 4.63 4.25 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 1.18 0.00 0.00 71 P 0.00 3.60 0.00 1.64 0.54 0.00 3.65 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 1.72 1.53 0.00 72 N 7.63 4.92 0.00 2.85 2.90 0.00 0.00 6.37 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 73 E 8.58 4.09 0.00 2.13 2.23 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 2.35 2.31 0.00 74 E 8.23 4.30 0.00 2.18 2.37 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 2.45 2.40 0.00 75 C 7.61 5.39 0.00 3.31 3.28 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 76 L 7.38 4.37 0.00 1.59 1.30 -0.13 0.82 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 77 F 8.72 5.16 0.00 3.01 3.03 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 78 L 9.41 4.73 0.00 1.55 1.60 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.70 4.69 0.00 2.23 1.95 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 2.22 2.02 0.00 80 R 8.23 4.73 0.00 1.83 1.81 0.00 3.34 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 81 L 8.52 4.73 0.00 1.52 1.57 0.91 0.91 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 82 E 9.23 4.51 0.00 2.12 2.22 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 0.00 2.34 2.70 0.00 83 E 9.01 3.95 0.00 2.03 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 0.00 2.34 2.37 0.00 84 N 8.80 4.82 0.00 3.28 3.04 0.00 0.00 7.11 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.07 3.95 0.00 3.20 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.52 4.40 0.00 3.26 2.99 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 87 N 9.34 5.46 0.00 2.95 2.36 0.00 0.00 6.79 7.26 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 88 T 8.63 5.13 4.68 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 1.39 0.00 0.00 89 Y 8.59 4.80 0.00 2.89 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 90 I 8.58 4.68 1.62 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.36 0.77 0.00 0.00 91 S 9.68 3.76 0.00 3.90 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 92 K 8.77 3.78 0.00 1.69 1.55 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.28 7.81 93 K 7.22 4.10 0.00 1.65 1.71 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.26 7.81 94 H 8.21 4.51 0.00 3.12 2.67 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.52 4.18 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 96 E 7.94 4.14 0.00 2.03 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 2.17 2.16 0.00 97 K 8.03 4.14 0.00 1.14 0.87 0.00 0.61 0.00 0.00 1.47 0.00 0.00 2.26 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.25 1.15 7.81 98 N 7.80 3.91 0.00 3.13 2.96 0.00 0.00 6.90 6.99 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 99 W 7.54 5.03 0.00 3.27 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 0.00 100 F 9.27 4.97 0.00 2.86 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 0.00 101 V 8.94 3.81 2.01 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 0.49 0.00 0.00 0.52 0.00 0.00 102 G 8.67 4.99 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 0.00 103 L 8.19 5.23 0.00 1.34 1.44 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.11 4.19 0.00 1.76 1.67 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 105 K 8.54 3.81 0.00 1.65 1.82 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 106 N 7.92 4.54 0.00 2.82 2.90 0.00 0.00 6.18 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 0.00 107 G 7.47 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 0.00 108 S 8.47 4.66 0.00 3.89 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 0.00 109 C 8.71 4.53 0.00 3.01 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 0.00 110 K 8.43 4.54 0.00 1.74 1.63 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.33 7.81 111 R 8.57 4.26 0.00 1.72 1.51 0.00 3.09 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 112 G 8.52 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 0.00 0.00 0.00 113 P 0.00 3.73 0.00 1.85 2.15 0.00 2.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 114 R 7.32 4.38 0.00 1.74 1.90 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 115 T 8.30 4.26 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 1.37 0.00 0.00 116 H 8.36 4.89 0.00 3.09 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.97 3.80 0.00 2.87 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 0.00 118 G 8.71 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 0.00 0.00 0.00 0.00 119 Q 7.45 4.02 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 120 K 8.52 3.80 0.00 1.67 1.66 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.29 7.81 121 A 7.86 3.96 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 0.00 122 I 6.86 4.53 1.64 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 1.24 0.85 0.60 0.00 0.00 123 L 7.23 4.43 0.00 1.07 1.03 0.50 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.35 5.18 0.00 3.31 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 0.00 125 L 9.47 5.08 0.00 2.16 1.84 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 5.11 0.00 2.08 2.11 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 127 L 9.16 4.99 0.00 1.79 1.63 0.95 0.84 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 0.00 128 P 0.00 4.91 0.00 1.93 1.97 0.00 3.63 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 2.02 2.09 0.00 129 V 7.82 4.36 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 0.72 0.00 0.00 0.87 0.00 0.00 130 S 8.74 4.27 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