NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.1498 8.3149 119.9965 56.7273 33.8283 175.1663 6 I 3.9561 7.9508 120.6156 57.5682 36.7082 170.8477 7 V 3.5114 8.5029 124.9893 61.8461 32.3293 175.3416 8 D 4.4870 8.6694 122.3213 54.2918 41.2498 175.6328 9 I 4.2537 8.2337 119.0907 60.6437 37.8517 177.4210 10 S 3.8617 8.5516 117.1384 62.4468 63.3951 175.8103 11 S 4.5102 7.5878 115.9224 58.0140 62.6727 173.7582 12 K 4.5700 7.5071 119.7779 55.2670 34.8559 174.7567 13 D 4.6786 8.1987 123.5648 53.7223 42.8373 175.8486 14 I 4.2238 8.1653 122.4456 61.1182 37.5948 175.4830 15 V 4.6249 8.3728 119.3281 58.9443 36.8457 174.7107 16 L 4.1216 8.4988 124.1720 55.4447 42.5308 176.1723 17 R 4.7411 9.3946 125.6125 54.3762 33.6270 174.2252 18 E 5.2972 8.6620 123.0291 54.9319 33.6702 173.4111 19 A 5.2032 9.0073 126.4514 50.5305 23.5292 175.0444 20 V 4.7993 9.3837 121.2385 61.0863 34.5174 174.4840 21 V 5.0504 8.9723 128.2025 60.9517 34.5909 173.9294 22 E 5.3030 9.0878 124.9198 54.8692 32.9257 174.9387 23 G 4.6212 9.5574 108.2511 45.0133 0.0000 170.4994 24 Y 5.4114 8.4590 119.5432 55.7502 43.0964 173.3884 25 I 4.3835 7.5217 125.0850 58.7537 41.3637 174.0540 26 K 4.4407 9.1951 132.1725 56.2576 32.9264 175.6351 27 L 5.1737 8.0550 126.2923 52.5350 45.5993 176.9697 28 R 4.0312 9.1892 120.4407 55.9705 30.9242 178.4742 29 K 3.9316 8.5417 119.8869 59.6388 32.1148 179.5892 30 E 3.9423 8.0478 117.3697 59.4644 29.4270 179.3548 31 T 3.6697 7.6000 116.2388 66.6317 68.7123 176.2766 32 I 3.6201 7.8212 121.9195 64.7103 37.2562 178.0434 33 E 3.9035 8.4090 120.1743 59.1233 29.3569 179.0693 34 K 3.8530 7.7497 118.5522 59.3069 31.9784 179.4337 35 I 3.6645 7.7666 120.1329 64.1622 36.7785 178.6553 36 K 3.9674 7.6747 118.1247 59.5523 32.0378 178.5954 37 N 4.5778 7.7037 112.2327 52.3480 38.9065 175.1507 38 K 3.8299 7.5357 118.4418 58.2730 30.1634 175.3447 39 E 4.5858 8.3697 112.9504 55.9900 30.5388 176.5780 40 V 3.8929 7.5958 120.0769 61.9761 32.1470 175.5781 41 E 3.9393 8.9847 129.4391 59.7444 29.3905 178.4999 42 K 4.0743 8.0582 115.2506 57.3322 32.4054 176.0766 43 G 3.6508 7.2264 104.5985 44.0710 0.0000 173.9176 44 D 4.4844 8.6083 119.8548 53.3609 40.8032 177.3210 45 V 3.5915 8.3293 126.3008 66.2018 31.5005 177.3453 46 I 3.6822 7.7317 118.4243 64.8888 36.9604 178.4939 47 T 3.8604 7.9899 115.8097 66.5475 68.2310 176.9733 48 V 3.5527 7.9739 120.0004 66.0264 31.5567 177.8789 49 A 3.9889 8.2243 120.5683 55.1270 18.1459 179.8113 50 K 3.9289 8.2385 116.9953 59.8602 32.1584 179.7171 51 T 3.8141 8.2254 116.0866 66.6340 68.2973 176.5510 52 A 4.1090 8.3166 122.9464 55.1252 18.4802 179.9751 53 G 3.5178 8.2748 104.2986 47.8103 0.0000 176.1642 54 I 3.6975 7.7337 121.4518 64.1812 37.4957 178.1852 55 L 4.0876 7.9899 119.6170 57.7486 41.4403 179.3367 56 A 3.9842 8.3674 120.8287 55.0317 17.7422 179.3182 57 A 3.9148 7.8151 118.7733 55.5865 18.2300 180.0786 58 K 4.0205 7.7030 114.7047 58.9153 32.3691 179.1777 59 K 4.1825 8.0517 118.0983 57.9797 32.0469 179.0182 60 T 3.8800 7.4411 116.8014 66.3794 68.2124 174.1452 61 P 4.2959 0.0000 0.0000 65.7965 31.2304 177.4668 62 E 4.0870 8.1917 118.3800 58.2844 29.6043 177.7557 63 L 4.5461 7.7032 117.4512 54.6991 42.7633 176.1959 64 I 4.2820 7.6849 120.9074 59.1151 37.6927 174.4432 65 P 4.1675 0.0000 0.0000 65.9946 31.1826 177.5844 66 M 4.4502 7.8820 114.0661 55.3549 32.0063 175.6803 67 C 4.5580 7.8031 116.9627 59.0480 29.4119 173.4271 68 H 4.6695 8.5882 120.6241 54.2446 29.5104 173.5769 69 P 4.5021 0.0000 0.0000 62.7039 32.0349 175.8943 70 I 4.1798 7.7996 120.7488 58.7921 40.7277 174.9292 71 P 4.4809 0.0000 0.0000 61.8474 29.0891 175.0428 72 L 4.1209 7.8097 125.4561 55.9296 42.4173 176.8645 73 E 4.6549 8.6748 121.4806 57.0281 31.5860 176.1822 74 F 4.9693 7.9275 120.6640 56.9513 43.1699 173.3153 75 V 4.4501 7.2342 124.8377 61.5428 34.4499 173.0838 76 D 4.5955 9.1056 127.3164 52.3286 44.9227 174.0634 77 V 4.5811 8.3736 124.6160 61.1978 33.8301 173.8256 78 E 4.6614 9.0383 129.7650 54.7377 31.7476 174.6998 79 I 4.9796 8.3078 126.2156 59.6870 40.3197 174.6131 80 K 4.6429 9.1738 127.5335 54.5404 34.6585 175.7150 81 I 4.4223 8.3613 125.6214 60.7367 37.9364 175.1916 82 E 4.8399 9.0689 126.2844 53.8587 32.7543 176.9706 83 E 3.9604 8.8254 118.1487 58.9218 29.8483 177.6702 84 E 4.5018 8.8916 116.6748 54.8728 30.2885 175.3319 85 G 4.1687 6.5563 106.5683 46.0731 0.0000 171.0377 86 L 5.1854 7.2778 119.1731 52.8946 44.3864 175.9816 87 R 5.1670 9.0595 123.9972 54.6914 32.3675 174.6443 88 V 4.9080 9.0674 126.7359 61.1983 34.3853 174.2324 89 I 4.9070 8.9108 128.2086 59.9308 40.3750 174.2898 90 S 5.2570 9.3132 124.3346 57.1075 65.4270 173.6552 91 T 5.1476 9.1825 120.6936 61.7937 71.6043 173.2195 92 V 4.9590 8.6643 125.6386 61.1333 35.2169 174.3708 93 K 5.3527 8.9780 124.4256 55.1260 36.8615 175.1009 94 A 4.6819 8.8081 121.4322 51.8395 23.3196 175.4820 95 H 5.3939 8.3988 115.5324 54.2633 29.8690 172.9911 96 Y 4.8465 7.9368 124.1591 56.7240 42.2303 174.6595 97 K 4.3056 6.4761 117.3125 56.1260 32.3205 176.9327 98 T 4.4581 7.6067 113.5476 60.1685 70.1127 173.4050 99 G 4.0754 8.7062 117.5855 46.2422 0.0000 172.6163 100 V 5.2922 7.8536 108.5057 59.5797 33.0543 178.6075 101 E 3.9764 8.5485 121.4283 59.9620 29.3378 178.5001 102 M 4.0478 8.0903 118.1564 58.4761 31.9931 178.5946 103 E 4.2114 8.3815 119.3317 58.9239 29.8081 179.0975 104 A 4.0473 7.8617 120.6644 54.9899 18.3739 179.7486 105 L 3.9972 8.2361 117.9781 58.1808 41.6521 179.8083 106 T 3.8818 8.2180 115.7142 66.3370 68.3715 176.6521 107 A 4.0778 8.1221 122.7637 55.6034 18.4518 179.8899 108 T 3.8245 7.8350 114.0371 66.8031 68.5157 177.1312 109 S 4.1334 8.1742 117.0913 61.8079 62.9427 177.1134 110 V 3.6114 8.0805 120.5667 65.5447 31.1891 178.0229 111 A 4.1203 7.9122 120.9361 55.1209 18.3781 179.5611 112 L 4.0032 8.0613 117.5429 57.9634 41.6348 179.8045 113 L 4.0653 8.1540 118.9808 58.0774 41.5337 179.7347 114 T 3.9040 8.0614 115.7336 66.5246 68.4766 176.7399 115 I 3.7220 7.8502 121.7762 64.1245 37.2700 178.0378 116 W 4.1332 8.0971 128.7176 60.7914 30.3062 177.3605 117 D 4.4996 8.2343 116.3942 57.8258 40.6509 177.9121 118 M 4.3653 8.1635 118.4115 57.3581 32.2401 177.6089 119 V 4.7294 7.6149 110.8560 60.9886 32.7629 177.8785 120 K 4.2259 7.9795 121.8357 59.7064 31.9519 179.6744 121 K 4.0240 7.8590 115.4289 59.1427 32.6952 177.1885 122 Y 4.4772 7.5371 115.5884 58.9549 38.5532 176.1111 123 E 4.3781 7.8586 118.1410 57.8369 30.2942 177.3908 124 K 3.8201 7.8649 118.1001 56.2787 32.6016 176.3816 125 D 4.8156 8.3965 122.8610 51.4157 41.1695 177.0913 126 E 3.6797 8.6851 116.8285 58.7723 29.2080 177.3809 127 N 4.6018 8.3018 115.0862 52.7251 39.0561 175.5006 128 G 3.7270 8.7896 107.1984 45.7829 0.0000 173.6278 129 Q 4.4058 8.6547 119.8326 54.5386 30.7910 174.7166 130 Y 4.9579 7.9993 115.8487 55.8253 37.8525 173.9856 131 P 4.3028 0.0000 0.0000 64.0880 32.3150 177.6305 132 Y 4.6102 7.5289 114.7578 58.7065 40.1723 176.0812 133 T 4.2184 7.8399 116.4437 62.7994 69.1396 174.0078 134 E 4.7401 8.0653 125.1611 55.2515 33.4489 173.7777 135 I 4.3789 8.7285 128.1231 60.6833 37.2769 175.8127 136 K 4.3231 9.3080 128.6370 58.3125 31.8876 178.7827 137 S 4.4433 7.8191 122.7352 57.6220 64.8340 172.0894 138 I 4.5392 8.2863 126.8999 61.2132 37.9969 175.7608 139 R 4.6704 8.8110 124.1971 54.8727 35.2587 174.8905 140 V 4.1946 8.3676 122.4068 61.9892 31.1418 175.8992 141 I 4.0208 8.3042 122.0803 62.4920 38.3538 175.3965 142 N 4.5149 7.5504 117.4160 53.2169 41.9785 173.1195 143 K 4.7540 8.6851 119.3151 55.8552 34.9364 174.8118 144 I 3.7372 8.3182 124.3365 61.9676 37.8073 175.5215 145 K 4.2665 8.5573 126.3899 55.9269 33.1670 176.5200 146 T 4.1674 8.2737 118.6506 62.2518 67.5740 173.3139 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 5 K 8.31 4.15 0.00 1.88 1.90 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 6 I 7.95 3.96 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.61 0.00 0.00 7 V 8.50 3.51 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 0.77 0.00 0.00 0.95 0.00 0.00 8 D 8.67 4.49 0.00 2.67 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 9 I 8.23 4.25 1.72 0.00 0.00 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 1.37 0.50 0.78 0.00 0.00 10 S 8.55 3.86 0.00 3.85 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 11 S 7.59 4.51 0.00 3.95 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 12 K 7.51 4.57 0.00 1.76 1.55 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.34 7.81 13 D 8.20 4.68 0.00 2.61 2.53 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 14 I 8.17 4.22 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.28 0.98 0.00 0.00 15 V 8.37 4.62 2.08 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 0.75 0.00 0.00 0.92 0.00 0.00 16 L 8.50 4.12 0.00 1.50 1.53 0.79 0.83 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 17 R 9.39 4.74 0.00 1.77 1.80 0.00 3.38 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 18 E 8.66 5.30 0.00 2.00 1.73 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 2.32 2.52 0.00 19 A 9.01 5.20 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 20 V 9.38 4.80 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 0.97 0.00 0.00 0.98 0.00 0.00 21 V 8.97 5.05 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 0.93 0.00 0.00 0.97 0.00 0.00 22 E 9.09 5.30 0.00 2.17 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 2.19 2.26 0.00 23 G 9.56 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 5.41 0.00 3.02 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 25 I 7.52 4.38 1.79 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 0.82 1.27 0.76 0.00 0.00 26 K 9.20 4.44 0.00 1.99 1.75 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.58 7.81 27 L 8.05 5.17 0.00 1.38 1.50 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.19 4.03 0.00 1.78 1.99 0.00 3.23 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.84 0.00 29 K 8.54 3.93 0.00 1.73 1.81 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 30 E 8.05 3.94 0.00 2.10 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 0.00 2.30 2.31 0.00 31 T 7.60 3.67 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 1.21 0.00 0.00 32 I 7.82 3.62 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.09 0.93 0.00 0.00 33 E 8.41 3.90 0.00 2.06 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 2.24 2.30 0.00 34 K 7.75 3.85 0.00 1.66 1.42 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.68 7.81 35 I 7.77 3.66 1.96 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 1.49 1.33 0.89 0.00 0.00 36 K 7.67 3.97 0.00 1.83 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.76 7.81 37 N 7.70 4.58 0.00 2.68 2.81 0.00 0.00 7.24 7.06 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 38 K 7.54 3.83 0.00 1.82 1.84 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.42 7.81 39 E 8.37 4.59 0.00 1.81 1.85 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 2.21 2.37 0.00 40 V 7.60 3.89 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 1.15 0.00 0.00 0.86 0.00 0.00 41 E 8.98 3.94 0.00 2.11 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 2.37 2.36 0.00 42 K 8.06 4.07 0.00 1.84 1.89 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 43 G 7.23 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 0.00 0.00 0.00 44 D 8.61 4.48 0.00 2.73 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 45 V 8.33 3.59 2.08 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 1.10 0.00 0.00 0.96 0.00 0.00 46 I 7.73 3.68 1.87 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 1.64 0.31 0.91 0.00 0.00 47 T 7.99 3.86 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 1.21 0.00 0.00 48 V 7.97 3.55 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 1.09 0.00 0.00 0.98 0.00 0.00 49 A 8.22 3.99 1.48 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 0.00 0.00 50 K 8.24 3.93 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.68 1.53 7.81 51 T 8.23 3.81 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 1.20 0.00 0.00 52 A 8.32 4.11 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 53 G 8.27 3.52 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 0.00 54 I 7.73 3.70 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.85 0.00 0.00 55 L 7.99 4.09 0.00 1.85 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.37 3.98 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 57 A 7.82 3.91 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 K 7.70 4.02 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 59 K 8.05 4.18 0.00 1.94 1.83 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 60 T 7.44 3.88 4.27 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 1.21 0.00 0.00 61 P 0.00 4.30 0.00 2.21 2.36 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 62 E 8.19 4.09 0.00 1.97 2.13 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 2.31 2.33 0.00 63 L 7.70 4.55 0.00 1.75 1.68 0.90 0.77 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 64 I 7.68 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.91 0.00 0.00 65 P 0.00 4.17 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 66 M 7.88 4.45 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 67 C 7.80 4.56 0.00 3.17 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 68 H 8.59 4.67 0.00 3.19 3.35 0.00 5.89 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 69 P 0.00 4.50 0.00 2.14 2.04 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 70 I 7.80 4.18 1.80 0.00 0.00 0.93 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 0.88 0.75 0.00 0.00 71 P 0.00 4.48 0.00 2.09 1.94 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 72 L 7.81 4.12 0.00 1.63 1.64 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.67 4.65 0.00 1.95 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 2.30 2.44 0.00 74 F 7.93 4.97 0.00 3.09 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 75 V 7.23 4.45 1.89 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 0.64 0.00 0.00 0.84 0.00 0.00 76 D 9.11 4.60 0.00 2.14 2.36 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 77 V 8.37 4.58 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 0.83 0.00 0.00 0.88 0.00 0.00 78 E 9.04 4.66 0.00 2.11 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 2.25 2.29 0.00 79 I 8.31 4.98 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.91 0.00 0.00 80 K 9.17 4.64 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.50 7.81 81 I 8.36 4.42 1.87 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 1.33 0.48 0.90 0.00 0.00 82 E 9.07 4.84 0.00 2.31 1.88 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 2.25 2.28 0.00 83 E 8.83 3.96 0.00 2.07 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 0.00 2.29 2.35 0.00 84 E 8.89 4.50 0.00 2.15 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 0.00 2.33 2.30 0.00 85 G 6.56 4.17 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 0.00 0.00 0.00 86 L 7.28 5.19 0.00 1.55 1.50 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.06 5.17 0.00 2.17 1.99 0.00 3.26 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 88 V 9.07 4.91 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 0.93 0.00 0.00 0.94 0.00 0.00 89 I 8.91 4.91 1.90 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 1.26 0.59 0.94 0.00 0.00 90 S 9.31 5.26 0.00 3.84 3.74 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 91 T 9.18 5.15 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 1.47 0.00 0.00 92 V 8.66 4.96 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 1.00 0.00 0.00 0.93 0.00 0.00 93 K 8.98 5.35 0.00 1.90 1.70 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.22 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.54 1.70 7.81 94 A 8.81 4.68 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 95 H 8.40 5.39 0.00 3.07 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.94 4.85 0.00 3.01 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 97 K 6.48 4.31 0.00 1.02 1.51 0.00 1.51 0.00 0.00 2.32 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 0.85 7.81 98 T 7.61 4.46 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 1.38 0.00 0.00 99 G 8.71 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 0.00 0.00 0.00 100 V 7.85 5.29 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 1.13 0.00 0.00 0.98 0.00 0.00 101 E 8.55 3.98 0.00 2.07 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 0.00 2.41 2.48 0.00 102 M 8.09 4.05 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 103 E 8.38 4.21 0.00 2.22 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 2.39 2.43 0.00 104 A 7.86 4.05 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 0.00 105 L 8.24 4.00 0.00 1.85 1.73 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.22 3.88 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 1.25 0.00 0.00 107 A 8.12 4.08 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 0.00 108 T 7.83 3.82 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 1.26 0.00 0.00 109 S 8.17 4.13 0.00 3.99 3.91 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 0.00 110 V 8.08 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 111 A 7.91 4.12 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 0.00 112 L 8.06 4.00 0.00 1.94 1.80 0.97 0.45 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 0.00 113 L 8.15 4.07 0.00 1.84 1.66 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.06 3.90 4.42 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 1.26 0.00 0.00 115 I 7.85 3.72 2.05 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 1.42 1.22 0.89 0.00 0.00 116 W 8.10 4.13 0.00 3.61 3.12 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 0.00 117 D 8.23 4.50 0.00 2.70 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 0.00 118 M 8.16 4.37 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 119 V 7.61 4.73 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 0.94 0.00 0.00 1.04 0.00 0.00 120 K 7.98 4.23 0.00 2.24 2.03 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.88 1.86 7.81 121 K 7.86 4.02 0.00 1.64 1.76 0.00 1.29 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.64 0.21 7.81 122 Y 7.54 4.48 0.00 3.01 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 0.00 123 E 7.86 4.38 0.00 2.34 2.20 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 2.48 2.23 0.00 124 K 7.86 3.82 0.00 1.66 1.55 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.70 1.43 7.81 125 D 8.40 4.82 0.00 2.93 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 0.00 126 E 8.69 3.68 0.00 2.09 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 0.00 2.27 2.29 0.00 127 N 8.30 4.60 0.00 2.80 2.85 0.00 0.00 7.00 7.65 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 0.00 128 G 8.79 3.73 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 0.00 0.00 0.00 129 Q 8.65 4.41 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 130 Y 8.00 4.96 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 0.00 131 P 0.00 4.30 0.00 1.41 1.89 0.00 3.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.66 0.00 132 Y 7.53 4.61 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 134 E 8.07 4.74 0.00 2.05 1.75 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 2.37 2.43 0.00 135 I 8.73 4.38 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.99 0.00 0.00 136 K 9.31 4.32 0.00 1.95 1.96 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.58 7.81 137 S 7.82 4.44 0.00 3.88 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 0.00 138 I 8.29 4.54 1.90 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 1.39 0.59 0.94 0.00 0.00 139 R 8.81 4.67 0.00 1.75 1.77 0.00 3.13 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 140 V 8.37 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 141 I 8.30 4.02 1.88 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 1.37 0.75 0.93 0.00 0.00 142 N 7.55 4.51 0.00 2.75 2.64 0.00 0.00 6.80 6.75 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 0.00 143 K 8.69 4.75 0.00 1.96 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.41 7.81 144 I 8.32 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.96 0.00 0.00 145 K 8.56 4.27 0.00 1.71 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 146 T 8.27 4.17 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 1.21 0.00 0.00