NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3905 8.3349 115.4131 58.1803 63.2551 171.0200 2 K 4.0776 8.1145 126.8399 56.1268 32.7401 175.8878 3 T 3.9571 8.8118 121.8344 66.3987 69.3058 175.1543 4 N 4.4316 8.0183 120.3037 53.0276 40.0725 173.7738 5 P 4.3135 0.0000 0.0000 65.6381 31.5903 178.9923 6 R 3.9439 8.3427 117.1542 59.1164 30.0755 178.8534 7 L 4.0094 7.8615 119.6746 57.9801 42.1026 179.0948 8 S 4.1599 7.6955 114.6127 61.4306 62.7334 176.7297 9 S 4.0585 8.0622 117.8520 61.4948 62.6646 176.1159 10 L 3.8602 7.9041 123.0110 58.5504 41.7816 179.2077 11 I 3.6931 7.6377 118.5937 64.3738 37.0597 178.3355 12 A 4.0207 8.0952 121.6493 55.1125 18.1541 179.4972 13 D 4.2357 8.7447 117.7500 57.6246 41.0949 178.8535 14 L 3.8921 8.3476 119.7253 57.7422 41.4885 180.0189 15 K 4.0155 7.9282 118.2186 59.5304 32.0542 179.1901 16 S 4.0720 8.1792 113.1909 61.5357 61.9500 176.1808 17 A 4.0199 8.2666 123.1907 55.0159 17.8804 179.4836 18 A 4.3379 7.7153 119.5630 54.5034 18.5474 179.8799 19 R 4.0923 8.0444 116.1048 60.0951 30.3839 178.7050 20 S 4.3331 8.1992 114.3591 60.5105 62.8230 176.1372 21 S 4.4399 8.0762 116.5483 58.3134 63.6155 175.3835 22 G 3.6942 8.5607 108.6340 46.1356 0.0000 174.4202 23 G 3.9004 7.5900 109.6838 45.5915 0.0000 174.0105 24 A 4.6697 8.2271 123.2671 51.7015 21.1869 178.5208 25 V 3.7164 7.2885 109.0995 63.4390 32.0924 178.5731 26 W 4.2310 7.7076 119.2952 59.2802 29.3140 178.0303 27 G 3.8962 8.0997 106.6749 47.3158 0.0000 175.4225 28 D 4.3195 7.7744 118.3655 57.2406 41.1787 178.4700 29 V 3.6529 8.9321 119.7919 65.5917 31.5243 177.9582 30 A 4.0340 7.6914 119.5581 55.1679 18.0027 179.4801 31 E 3.9650 7.8684 115.8577 59.4657 29.6669 179.2547 32 R 4.0661 7.8317 118.8985 59.2604 29.9126 178.5631 33 L 3.7839 7.7439 118.1856 57.5304 41.6541 178.9627 34 E 4.1642 8.0224 117.7569 57.9355 29.5812 177.6958 35 K 4.2879 6.9765 117.8083 54.8736 33.0870 174.8323 36 P 4.2601 0.0000 0.0000 63.0291 32.0803 177.8602 37 R 3.5398 8.6239 120.4512 59.2051 30.2025 179.3408 38 R 3.9715 7.9271 113.2696 58.9826 29.4070 177.6721 39 T 4.1343 7.5744 107.7127 63.4648 69.3592 174.8874 40 H 4.3426 7.7525 118.8884 55.7332 29.4980 174.5502 41 A 4.3210 8.2629 122.5534 52.0634 19.9815 176.6411 42 E 4.6434 8.6185 119.5398 54.3785 31.0659 173.8742 43 V 4.3630 8.6453 123.5194 61.1020 33.8598 174.8129 44 N 5.8091 8.4439 124.2973 51.5192 40.5555 176.1916 45 L 4.1258 8.6078 119.6717 57.9462 41.6960 179.8333 46 G 3.6897 7.9856 105.4495 47.6705 0.0000 175.3227 47 R 4.0982 7.7449 120.0521 58.8317 30.1970 178.5154 48 I 3.8374 7.5751 119.4258 64.2445 37.0107 177.7840 49 E 3.9094 8.3241 119.5731 58.9542 29.4653 178.3398 50 R 3.9342 7.2074 117.2651 57.7966 30.2860 176.2260 51 Y 4.7822 7.5410 112.3599 57.3601 39.6646 175.5312 52 A 4.5984 8.0571 123.3399 51.1139 20.0147 176.6337 53 Q 4.6605 8.1176 116.6950 53.8425 32.1161 175.2074 54 E 4.0541 8.5851 118.6144 57.6464 30.0712 176.6544 55 D 4.3769 8.7933 118.0042 55.0741 38.5190 173.4148 56 E 4.6870 7.7313 118.5223 54.5670 32.1399 175.2594 57 T 4.2247 8.5284 124.9375 63.7753 69.8159 173.8642 58 V 4.3856 8.8622 127.4636 62.1841 33.0237 174.5947 59 V 4.8215 9.0953 128.9556 61.2802 33.6170 174.3839 60 V 4.7480 9.1133 128.6599 59.8842 33.6708 174.0263 61 P 5.0253 0.0000 0.0000 62.5790 32.8348 176.4237 62 G 3.9629 7.0490 115.6818 47.0803 0.0000 175.7109 63 K 5.0522 9.6640 127.0653 54.1981 35.9102 173.6601 64 V 4.8379 8.2388 126.0315 61.3562 33.5629 174.5931 65 L 4.9551 9.3708 128.3875 52.4043 45.0236 176.8357 66 G 3.9372 8.5253 106.8930 47.1008 0.0000 173.7671 67 S 4.4879 8.2874 117.0348 58.7246 64.4793 175.5567 68 G 4.1491 8.8203 110.6703 45.1323 0.0000 172.3295 69 V 4.3304 7.9394 117.2962 60.6559 33.3842 174.4769 70 L 4.8472 8.3848 127.1848 53.5596 44.0709 175.4743 71 Q 4.4734 9.5805 125.2888 56.8817 30.6151 176.9777 72 K 3.9347 8.2246 115.9398 57.1846 32.9210 176.9693 73 D 5.4767 8.5330 123.6569 52.5946 39.5380 174.9636 74 V 4.4459 7.5384 114.7472 59.6590 35.6940 176.0022 75 T 4.5535 8.3818 120.2691 62.6073 69.8110 173.7219 76 V 4.6849 8.7238 127.7825 61.4736 33.5613 174.3465 77 A 5.9400 10.0352 130.2444 49.5957 21.5329 175.0574 78 A 5.1526 8.4528 122.6068 49.6494 22.8444 176.8006 79 V 3.6460 8.3150 118.9244 66.0175 32.1414 175.7308 80 D 4.6135 7.1170 116.3110 53.4678 44.2557 174.5304 81 F 5.3512 8.9718 121.7985 55.4043 42.6155 175.1841 82 S 4.3787 9.0663 117.1367 57.9605 64.0412 175.4995 83 G 3.7347 8.9861 106.9299 48.6683 0.0000 176.0327 84 T 3.9933 7.9400 117.9940 65.8087 68.5063 176.5792 85 A 4.0092 8.0730 122.7979 55.3489 18.4424 179.3563 86 E 3.7775 8.3261 117.4949 59.3182 29.1586 179.2000 87 T 3.9772 7.4414 114.6963 66.5217 67.2309 176.9412 88 K 3.8974 8.2000 120.2897 59.5733 31.9178 179.5952 89 I 3.6833 7.8530 119.9578 64.5510 37.0253 178.0780 90 D 4.3368 7.4144 119.1494 56.2496 40.6190 178.6780 91 Q 4.1442 7.6389 118.1514 58.1244 29.1374 177.1854 92 V 4.4384 7.4236 110.5253 61.4091 34.1562 174.8381 93 G 4.0679 8.5076 111.8960 44.5044 0.0000 173.7927 94 E 5.1259 9.4798 126.2124 54.5412 33.2299 173.2315 95 A 4.7105 8.8330 129.5290 50.7796 20.0731 176.5756 96 V 4.5588 8.9343 122.7748 60.7666 35.4782 175.2933 97 S 4.8495 8.6377 120.9120 57.7348 64.2281 175.0170 98 L 3.9938 8.3360 123.5686 58.2446 41.2800 179.4636 99 E 3.8841 7.7151 118.4813 59.1646 29.2772 179.2841 100 Q 3.7900 8.0295 117.9445 58.8129 28.8807 177.9859 101 A 4.0274 8.0238 121.3526 55.7035 17.8189 179.4947 102 I 2.8818 7.0712 117.4214 64.1279 36.7671 178.3690 103 E 3.9159 7.2167 118.9563 59.3679 29.6985 178.3456 104 N 4.5949 8.3649 115.4539 55.2521 40.0695 175.3642 105 N 5.1600 8.6454 119.0126 51.3133 39.4600 172.8357 106 P 4.5827 0.0000 0.0000 64.8234 32.1291 178.1788 107 E 4.2155 8.5252 117.2306 56.2755 30.4430 175.6560 108 G 3.7757 8.3351 108.0067 46.3581 0.0000 172.8664 109 S 4.5925 8.2709 111.6697 57.5682 66.6715 174.3697 110 H 4.0013 8.4781 116.4787 56.9980 25.8669 175.1970 111 V 4.8791 7.2395 115.9858 60.0387 34.5677 176.1796 112 R 4.4353 8.9271 126.4928 54.7230 31.6754 175.0665 113 V 4.4557 8.3024 126.7927 62.4879 32.4780 175.0692 114 I 4.8141 8.6744 128.4546 59.4338 40.6610 175.7717 115 R 4.1752 8.4101 121.7298 56.4638 29.4651 174.7676 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 S 8.33 4.39 0.00 3.99 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 2 K 8.11 4.08 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.48 7.81 3 T 8.81 3.96 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 4 N 8.02 4.43 0.00 2.76 2.70 0.00 0.00 7.20 7.71 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 5 P 0.00 4.31 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.34 3.94 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 7 L 7.86 4.01 0.00 1.76 1.81 0.93 0.86 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 8 S 7.70 4.16 0.00 4.12 3.89 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 9 S 8.06 4.06 0.00 4.00 3.89 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 10 L 7.90 3.86 0.00 1.86 1.89 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.64 3.69 2.02 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 1.46 1.06 0.92 0.00 0.00 12 A 8.10 4.02 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 13 D 8.74 4.24 0.00 2.75 2.63 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 14 L 8.35 3.89 0.00 1.84 2.07 0.94 0.69 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 15 K 7.93 4.02 0.00 2.05 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 8.18 4.07 0.00 3.89 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 17 A 8.27 4.02 1.34 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 0.00 0.00 18 A 7.72 4.34 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 19 R 8.04 4.09 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 20 S 8.20 4.33 0.00 3.93 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 21 S 8.08 4.44 0.00 4.28 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 22 G 8.56 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 0.00 0.00 0.00 23 G 7.59 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 24 A 8.23 4.67 1.20 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 0.00 0.00 0.00 25 V 7.29 3.72 1.69 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 0.55 0.00 0.00 -0.37 0.00 0.00 26 W 7.71 4.23 0.00 3.37 3.22 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 0.00 0.00 0.00 27 G 8.10 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 28 D 7.77 4.32 0.00 3.07 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 29 V 8.93 3.65 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 1.05 0.00 0.00 1.08 0.00 0.00 30 A 7.69 4.03 1.46 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 0.00 0.00 31 E 7.87 3.97 0.00 2.10 2.04 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 2.36 2.48 0.00 32 R 7.83 4.07 0.00 1.90 2.04 0.00 3.32 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 1.61 1.66 0.00 33 L 7.74 3.78 0.00 1.80 1.68 0.90 0.84 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 34 E 8.02 4.16 0.00 2.14 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 2.36 2.60 0.00 35 K 6.98 4.29 0.00 1.97 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.26 0.00 2.15 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 37 R 8.62 3.54 0.00 1.80 1.91 0.00 3.11 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 38 R 7.93 3.97 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.57 4.13 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 1.21 0.00 0.00 40 H 7.75 4.34 0.00 3.27 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 4.32 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 42 E 8.62 4.64 0.00 1.80 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 2.20 2.28 0.00 43 V 8.65 4.36 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 1.00 0.00 0.00 0.97 0.00 0.00 44 N 8.44 5.81 0.00 2.70 2.95 0.00 0.00 7.63 6.74 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 45 L 8.61 4.13 0.00 1.84 1.74 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.99 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 0.00 0.00 0.00 47 R 7.74 4.10 0.00 1.95 1.99 0.00 3.19 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 48 I 7.58 3.84 2.02 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 1.58 0.46 0.97 0.00 0.00 49 E 8.32 3.91 0.00 1.96 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 2.44 2.31 0.00 50 R 7.21 3.93 0.00 1.83 1.42 0.00 2.45 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.31 0.00 51 Y 7.54 4.78 0.00 2.97 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 52 A 8.06 4.60 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 53 Q 8.12 4.66 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 54 E 8.59 4.05 0.00 2.06 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 2.55 2.35 0.00 55 D 8.79 4.38 0.00 2.81 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 56 E 7.73 4.69 0.00 2.07 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 2.23 2.30 0.00 57 T 8.53 4.22 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 1.37 0.00 0.00 58 V 8.86 4.39 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.10 4.82 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 1.05 0.00 0.00 1.17 0.00 0.00 60 V 9.11 4.75 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 0.97 0.00 0.00 0.93 0.00 0.00 61 P 0.00 5.03 0.00 2.19 2.13 0.00 3.97 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 1.97 1.95 0.00 62 G 7.05 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 63 K 9.66 5.05 0.00 1.69 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.33 7.81 64 V 8.24 4.84 2.04 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 1.13 0.00 0.00 0.73 0.00 0.00 65 L 9.37 4.96 0.00 1.81 1.54 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.53 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.29 4.49 0.00 3.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 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 0.00 0.00 0.00 69 V 7.94 4.33 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 0.93 0.00 0.00 70 L 8.38 4.85 0.00 1.59 1.51 1.00 0.73 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 71 Q 9.58 4.47 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.22 3.93 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.83 7.81 73 D 8.53 5.48 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.45 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 0.92 0.00 0.00 1.01 0.00 0.00 75 T 8.38 4.55 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 1.26 0.00 0.00 76 V 8.72 4.68 2.30 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 1.15 0.00 0.00 1.03 0.00 0.00 77 A 10.04 5.94 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 78 A 8.45 5.15 0.40 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 79 V 8.32 3.65 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 0.71 0.00 0.00 0.88 0.00 0.00 80 D 7.12 4.61 0.00 2.69 2.38 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 81 F 8.97 5.35 0.00 2.87 2.95 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 82 S 9.07 4.38 0.00 3.93 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 83 G 8.99 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 84 T 7.94 3.99 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 1.23 0.00 0.00 85 A 8.07 4.01 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 86 E 8.33 3.78 0.00 2.04 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 2.17 2.00 0.00 87 T 7.44 3.98 4.39 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 1.21 0.00 0.00 88 K 8.20 3.90 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.72 7.81 89 I 7.85 3.68 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.89 0.00 0.00 90 D 7.41 4.34 0.00 2.56 2.70 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 91 Q 7.64 4.14 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 92 V 7.42 4.44 2.25 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 0.80 0.00 0.00 1.03 0.00 0.00 93 G 8.51 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 94 E 9.48 5.13 0.00 2.03 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 0.00 2.15 2.22 0.00 95 A 8.83 4.71 0.59 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 0.00 0.00 96 V 8.93 4.56 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 1.08 0.00 0.00 0.93 0.00 0.00 97 S 8.64 4.85 0.00 4.10 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 98 L 8.34 3.99 0.00 1.86 1.63 1.01 1.37 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 99 E 7.72 3.88 0.00 2.16 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 2.29 2.32 0.00 100 Q 8.03 3.79 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 101 A 8.02 4.03 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 0.00 102 I 7.07 2.88 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.22 0.59 0.00 0.00 103 E 7.22 3.92 0.00 1.74 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 2.31 2.32 0.00 104 N 8.36 4.59 0.00 2.74 2.91 0.00 0.00 6.79 7.62 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 0.00 105 N 8.65 5.16 0.00 2.84 3.04 0.00 0.00 6.80 7.33 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 0.00 106 P 0.00 4.58 0.00 2.30 2.29 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 2.07 2.00 0.00 107 E 8.53 4.22 0.00 2.15 2.04 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 2.41 2.41 0.00 108 G 8.34 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.27 4.59 0.00 3.94 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 0.00 110 H 8.48 4.00 0.00 3.34 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.24 4.88 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 0.41 0.00 0.00 0.94 0.00 0.00 112 R 8.93 4.44 0.00 2.09 1.85 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 V 8.30 4.46 2.04 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 0.82 0.00 0.00 0.87 0.00 0.00 114 I 8.67 4.81 1.91 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 1.32 1.13 0.98 0.00 0.00 115 R 8.41 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00