NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4501 8.3349 115.4124 57.6886 63.3934 172.5851 2 K 3.9493 8.0676 127.3434 57.2984 32.9011 175.7222 3 T 4.1761 8.5277 118.8919 65.4823 70.5621 175.4322 4 N 4.3956 7.9633 120.4199 52.9437 39.7962 173.4867 5 P 4.2737 0.0000 0.0000 66.0486 31.4362 178.3567 6 R 3.8757 8.2243 116.5245 58.8186 30.0337 178.2188 7 L 3.8913 7.9472 119.2630 58.7173 41.9986 179.4723 8 S 4.0683 8.0295 114.5832 61.7481 62.8599 176.8238 9 S 4.0487 8.0555 117.4683 61.5512 62.6803 176.2156 10 L 3.8282 8.1216 123.4444 58.5157 41.7267 179.1321 11 I 3.6267 7.7142 118.9731 64.4214 37.0880 178.1434 12 A 3.9991 7.8990 121.4460 55.3096 18.1575 179.3818 13 D 4.2001 8.6739 117.4419 57.6703 41.1194 178.7537 14 L 3.8254 8.2998 119.6643 58.4070 41.5641 179.7379 15 K 4.0588 8.1968 118.2157 59.0435 32.0812 179.1072 16 S 4.1076 8.3481 113.2142 61.6875 61.8482 176.7945 17 A 4.0205 8.2476 123.0697 55.1063 18.1030 179.5322 18 A 4.9347 7.7004 118.8456 54.6867 18.4216 179.7903 19 R 4.1231 8.2303 116.6939 59.5766 30.5689 178.1037 20 S 3.9701 8.4455 113.9921 61.4488 63.0403 177.7572 21 S 4.3605 6.9971 121.1256 59.1468 63.6243 174.6372 22 G 3.8123 8.5719 108.2254 45.8387 0.0000 174.2952 23 G 3.6976 7.3796 109.1218 45.8183 0.0000 173.9505 24 A 4.5001 8.2750 124.8122 52.8915 20.5428 179.1009 25 V 3.5717 7.1923 110.8611 64.1250 31.6963 178.3520 26 W 4.9335 7.7917 118.4477 59.9811 28.7013 178.2853 27 G 3.8244 8.1131 103.5742 46.6319 0.0000 175.1010 28 D 4.4603 7.5612 119.9093 57.4811 41.3969 178.3995 29 V 3.6330 8.6328 118.9877 65.9074 31.2900 177.6355 30 A 4.0532 7.9233 119.8003 55.1550 18.4214 179.3811 31 E 4.0396 7.9654 116.6515 59.7165 29.5945 179.1670 32 R 3.9274 8.0951 118.1593 59.8066 29.7175 178.2710 33 L 3.7916 7.7795 117.7733 57.4327 41.7077 178.6915 34 E 4.1187 8.0494 118.1869 57.5403 29.7287 177.0323 35 K 4.3465 7.0453 118.0222 54.5881 33.4597 174.5833 36 P 4.2216 0.0000 0.0000 63.1128 31.9192 177.8863 37 R 3.4640 8.6505 120.8806 59.1844 30.2838 179.1474 38 R 3.9023 8.0261 113.2310 59.3780 29.2460 177.9133 39 T 4.0033 7.5904 106.9409 63.7598 69.0587 174.3517 40 H 4.3361 8.0106 119.4286 55.8732 29.5205 174.0407 41 A 4.4991 8.1033 122.1033 51.2867 20.3795 176.5957 42 E 4.9319 8.7847 120.9612 54.4437 31.5728 174.5814 43 V 4.4143 8.5613 124.5051 60.9881 34.2346 174.5007 44 N 5.5988 8.4973 124.1223 51.4754 40.7157 175.9974 45 L 4.0647 8.8580 121.1774 58.3908 41.5312 180.0071 46 G 3.8743 7.8490 103.9802 48.0827 0.0000 175.1260 47 R 4.2501 8.1003 120.5248 59.0621 30.1128 178.6649 48 I 3.7957 7.6134 119.2538 64.4618 37.1265 177.7299 49 E 3.9294 8.1050 118.5105 59.0055 29.3508 178.1832 50 R 4.0466 7.5137 117.2929 57.6483 30.3934 176.0239 51 Y 4.6831 7.8198 111.8408 57.0224 40.1224 175.2995 52 A 4.4988 8.1439 123.2576 51.3498 19.2976 176.7540 53 Q 4.6370 7.9283 114.6040 53.7365 31.4894 175.0826 54 E 3.8853 8.7877 119.9155 58.3820 29.9570 176.4149 55 D 4.4191 8.9327 119.2767 55.1074 38.1447 174.0236 56 E 4.6531 7.8381 119.8413 54.6196 31.5527 174.5201 57 T 4.1198 8.3167 122.5587 64.3054 70.0550 173.3034 58 V 4.5755 9.0230 126.5243 61.7754 33.3018 174.5936 59 V 4.7686 9.2188 129.3728 61.4399 33.3526 174.5113 60 V 4.8289 8.9517 129.4988 59.0730 32.6703 174.5849 61 P 4.7755 0.0000 0.0000 60.5811 29.9946 174.5392 62 G 4.3136 6.9612 115.6201 47.6182 0.0000 174.3144 63 K 5.0146 9.2798 126.8507 54.2569 35.8533 174.2762 64 V 4.8859 8.2364 124.9549 61.2346 33.9657 174.5851 65 L 5.0177 9.5172 128.0070 52.4582 45.2142 176.1438 66 G 4.1647 8.4231 105.9495 46.8726 0.0000 173.8506 67 S 4.6255 8.2397 116.7256 58.2260 64.8732 176.0997 68 G 4.0812 8.9357 110.3565 45.2662 0.0000 172.2575 69 V 4.3855 7.8637 117.2177 60.7331 33.5851 174.4434 70 L 4.8847 8.2809 125.5309 53.5291 44.4388 175.7084 71 Q 4.4938 10.7000 124.3653 56.8170 30.8981 176.9514 72 K 3.8940 8.3286 116.4171 57.0164 33.1192 177.3102 73 D 5.4395 8.4281 124.1746 52.7680 39.8804 174.9640 74 V 4.5946 7.2695 115.6310 60.1445 35.5259 176.4345 75 T 4.8001 8.3055 119.1241 62.2692 70.1695 173.7962 76 V 4.6506 8.4668 127.6427 61.7433 33.4147 174.5264 77 A 5.9400 10.1549 130.0401 49.5629 21.4665 174.6489 78 A 5.2061 8.3783 122.4892 49.3997 22.9236 176.5561 79 V 3.5428 8.3566 118.2153 66.2957 32.0077 175.7618 80 D 4.6052 7.1847 116.5729 53.4365 44.4868 174.2327 81 F 5.3522 8.7615 120.8768 55.2565 42.3910 175.4128 82 S 4.2495 9.3103 118.2030 58.2734 63.9720 175.2423 83 G 3.9366 9.1627 109.3431 48.7197 0.0000 175.8482 84 T 3.8634 7.9957 117.7061 66.3618 68.4480 175.8490 85 A 4.0419 8.1466 122.3612 55.4774 18.2627 178.9352 86 E 3.6060 8.5436 116.7569 59.8018 29.4398 179.7938 87 T 3.8647 7.6817 114.9328 66.6532 68.5186 177.0936 88 K 4.0399 8.4797 119.1364 59.5501 32.1635 179.2478 89 I 3.8760 8.1056 120.6151 64.3677 36.9955 177.9019 90 D 4.7600 7.5630 120.4387 56.6732 40.7172 179.1124 91 Q 4.1738 7.5603 116.6190 58.1898 28.9853 177.4847 92 V 4.4625 7.3485 109.7970 60.8215 33.9480 174.4087 93 G 4.5159 8.1419 111.6391 45.0982 0.0000 174.7007 94 E 4.9465 9.1057 127.0584 54.9496 33.2360 173.4331 95 A 4.7005 8.7005 130.0002 50.8106 19.8483 176.4577 96 V 4.5748 9.1163 122.9193 60.7633 35.4108 175.4301 97 S 4.8507 8.5759 119.9031 57.7944 64.1497 175.0624 98 L 3.8862 8.2612 123.7485 58.2480 41.4812 179.3295 99 E 3.8644 8.0039 117.5986 59.1583 29.6040 178.9803 100 Q 4.0265 8.1254 117.9032 58.8565 28.9007 177.9907 101 A 3.9928 7.9154 121.8113 55.6316 18.1152 179.3846 102 I 2.9776 7.2198 117.7570 64.5931 36.8999 178.2469 103 E 3.9328 8.0973 118.9221 59.3940 29.6502 178.3944 104 N 4.6101 8.0689 114.3890 55.1335 40.2321 175.2646 105 N 5.1702 8.4331 119.0279 51.6699 39.6361 172.8999 106 P 4.7782 0.0000 0.0000 65.1858 32.1515 178.5506 107 E 4.2989 8.6367 116.5327 56.5181 29.8427 176.5517 108 G 3.4944 7.9461 106.1422 46.4011 0.0000 172.9854 109 S 4.5656 8.3100 115.5693 57.2904 66.5858 174.5346 110 H 3.9978 8.5007 116.0380 56.6039 25.7821 174.7884 111 V 4.7994 7.0998 115.9512 60.0935 35.0116 176.1416 112 R 4.5139 9.1965 125.1366 54.6367 32.1225 174.8005 113 V 4.5018 8.3289 126.6130 62.1653 32.0106 174.9279 114 I 4.7372 8.6396 128.7610 59.4216 40.8227 176.1960 115 R 4.1417 8.2529 121.2147 56.5861 29.2396 174.7306 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 4.45 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 8.07 3.95 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.53 4.18 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 7.96 4.40 0.00 2.83 2.71 0.00 0.00 7.22 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 4.27 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.22 3.88 0.00 1.84 1.92 0.00 3.16 0.00 0.00 3.26 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 7 L 7.95 3.89 0.00 1.74 1.86 0.91 0.96 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 8 S 8.03 4.07 0.00 4.15 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 4.05 0.00 3.96 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 8.12 3.83 0.00 1.83 1.82 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.71 3.63 2.13 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 1.45 0.85 0.91 0.00 0.00 12 A 7.90 4.00 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 13 D 8.67 4.20 0.00 2.75 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 14 L 8.30 3.83 0.00 1.83 1.98 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.20 4.06 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.35 4.11 0.00 3.90 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 17 A 8.25 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 18 A 7.70 4.93 1.54 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 19 R 8.23 4.12 0.00 1.79 2.00 0.00 3.20 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 1.67 1.69 0.00 20 S 8.45 3.97 0.00 3.92 3.77 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 S 7.00 4.36 0.00 4.27 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.57 3.81 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 0.00 0.00 0.00 23 G 7.38 3.70 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 0.00 0.00 0.00 24 A 8.28 4.50 1.22 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 0.00 0.00 25 V 7.19 3.57 1.77 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 0.62 0.00 0.00 -0.38 0.00 0.00 26 W 7.79 4.93 0.00 3.34 3.23 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 27 G 8.11 3.82 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 0.00 0.00 0.00 28 D 7.56 4.46 0.00 3.11 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 29 V 8.63 3.63 2.26 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 1.00 0.00 0.00 1.18 0.00 0.00 30 A 7.92 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.04 0.00 2.20 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 2.34 2.45 0.00 32 R 8.10 3.93 0.00 1.92 2.07 0.00 3.43 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 33 L 7.78 3.79 0.00 1.65 1.67 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.05 4.12 0.00 2.25 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 2.36 0.00 35 K 7.05 4.35 0.00 2.01 1.75 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.63 7.81 36 P 0.00 4.22 0.00 2.14 1.97 0.00 3.60 0.00 0.00 3.76 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 8.65 3.46 0.00 1.79 1.91 0.00 3.12 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 38 R 8.03 3.90 0.00 1.90 2.06 0.00 3.02 0.00 0.00 3.26 7.32 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 7.59 4.00 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 1.21 0.00 0.00 40 H 8.01 4.34 0.00 3.30 3.26 0.00 5.66 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 8.10 4.50 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 42 E 8.78 4.93 0.00 1.81 1.87 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 2.19 2.26 0.00 43 V 8.56 4.41 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 1.00 0.00 0.00 0.91 0.00 0.00 44 N 8.50 5.60 0.00 2.71 2.93 0.00 0.00 7.60 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 8.86 4.06 0.00 2.00 1.77 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.85 3.87 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 0.00 0.00 0.00 47 R 8.10 4.25 0.00 1.99 2.14 0.00 3.10 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 48 I 7.61 3.80 2.02 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 1.59 0.63 0.98 0.00 0.00 49 E 8.11 3.93 0.00 2.00 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 2.44 2.36 0.00 50 R 7.51 4.05 0.00 1.79 1.92 0.00 2.91 0.00 0.00 2.94 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.30 0.00 51 Y 7.82 4.68 0.00 2.91 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 52 A 8.14 4.50 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 53 Q 7.93 4.64 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 54 E 8.79 3.89 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 2.52 2.37 0.00 55 D 8.93 4.42 0.00 2.83 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 56 E 7.84 4.65 0.00 1.98 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 2.24 2.31 0.00 57 T 8.32 4.12 4.32 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 1.37 0.00 0.00 58 V 9.02 4.58 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 0.97 0.00 0.00 1.04 0.00 0.00 59 V 9.22 4.77 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 1.05 0.00 0.00 1.21 0.00 0.00 60 V 8.95 4.83 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 4.78 0.00 2.13 2.22 0.00 3.92 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 2.05 1.96 0.00 62 G 6.96 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 0.00 0.00 0.00 0.00 63 K 9.28 5.01 0.00 1.69 1.56 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.25 1.30 7.81 64 V 8.24 4.89 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 1.16 0.00 0.00 0.75 0.00 0.00 65 L 9.52 5.02 0.00 1.85 1.50 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.42 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 0.00 0.00 0.00 67 S 8.24 4.63 0.00 3.87 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 8.94 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 69 V 7.86 4.39 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 0.83 0.00 0.00 0.94 0.00 0.00 70 L 8.28 4.88 0.00 1.59 1.50 1.00 0.71 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 71 Q 10.70 4.49 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.33 3.89 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.85 7.81 73 D 8.43 5.44 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 4.59 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 0.99 0.00 0.00 1.01 0.00 0.00 75 T 8.31 4.80 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 8.47 4.65 2.31 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 1.18 0.00 0.00 1.03 0.00 0.00 77 A 10.15 5.94 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 78 A 8.38 5.21 0.68 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 0.00 0.00 0.00 79 V 8.36 3.54 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 0.68 0.00 0.00 0.87 0.00 0.00 80 D 7.18 4.61 0.00 2.76 2.35 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 81 F 8.76 5.35 0.00 2.88 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 9.31 4.25 0.00 3.91 4.11 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 83 G 9.16 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 84 T 8.00 3.86 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 8.15 4.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.61 0.00 2.06 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 2.18 2.02 0.00 87 T 7.68 3.86 4.41 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 1.21 0.00 0.00 88 K 8.48 4.04 0.00 1.82 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.73 7.81 89 I 8.11 3.88 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 0.88 0.00 0.00 90 D 7.56 4.76 0.00 2.54 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 91 Q 7.56 4.17 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 92 V 7.35 4.46 2.24 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 0.81 0.00 0.00 0.94 0.00 0.00 93 G 8.14 4.52 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 94 E 9.11 4.95 0.00 1.96 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 2.17 2.22 0.00 95 A 8.70 4.70 0.46 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 96 V 9.12 4.57 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 1.08 0.00 0.00 0.93 0.00 0.00 97 S 8.58 4.85 0.00 4.10 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 0.00 98 L 8.26 3.89 0.00 1.78 1.57 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.00 3.86 0.00 1.91 1.94 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 2.26 2.38 0.00 100 Q 8.13 4.03 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 101 A 7.92 3.99 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 0.00 102 I 7.22 2.98 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.36 0.70 0.00 0.00 103 E 8.10 3.93 0.00 1.88 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 2.32 2.33 0.00 104 N 8.07 4.61 0.00 2.79 2.91 0.00 0.00 6.59 8.00 0.00 0.00 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 8.43 5.17 0.00 2.80 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 0.00 106 P 0.00 4.78 0.00 2.35 2.37 0.00 4.00 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 107 E 8.64 4.30 0.00 2.13 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 2.42 2.39 0.00 108 G 7.95 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.57 0.00 3.93 3.77 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 0.00 110 H 8.50 4.00 0.00 3.32 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.10 4.80 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 0.41 0.00 0.00 0.95 0.00 0.00 112 R 9.20 4.51 0.00 2.05 1.84 0.00 3.12 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 113 V 8.33 4.50 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 0.87 0.00 0.00 0.88 0.00 0.00 114 I 8.64 4.74 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.92 0.00 0.00 115 R 8.25 4.14 0.00 1.83 1.80 0.00 3.04 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 1.44 1.59 0.00