NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1630 8.1727 122.0490 56.2820 34.1114 174.0071 2 V 4.5811 8.1585 127.0920 60.7330 32.3266 174.5302 3 F 4.4206 9.3149 127.9582 57.4087 40.2456 174.6612 4 E 4.2152 9.1184 122.9876 55.5777 30.8798 176.7001 5 R 3.3488 8.9677 125.5174 60.4736 30.0232 179.5244 6 C 4.3559 8.3621 115.2335 59.5867 37.1234 175.6953 7 E 3.9025 8.3569 121.3614 59.1956 29.1854 178.6521 8 L 3.5693 8.0249 120.1685 57.7881 42.0880 178.6112 9 A 3.9406 7.8697 120.7458 55.4591 18.4407 179.9363 10 R 3.9172 8.0552 116.4085 59.4861 30.1496 179.5262 11 T 3.8619 7.8707 115.7029 66.6615 68.4664 176.8229 12 L 3.8906 8.1205 121.2831 57.4651 41.5442 179.5193 13 K 3.9229 7.9948 119.7214 59.4938 31.9381 178.9465 14 R 3.9666 7.7232 117.7314 58.8882 30.0243 177.4707 15 L 4.3786 7.3838 116.1019 54.0232 41.7206 176.8340 16 G 3.8584 7.7430 106.8142 46.9759 0.0000 175.2471 17 M 3.8608 7.8028 121.4204 56.5359 32.3393 175.8237 18 D 4.4007 7.9964 117.8839 56.0594 41.0942 175.7319 19 G 3.9626 9.4071 115.8092 45.3904 0.0000 171.3266 20 Y 4.2134 8.2390 122.0130 58.5314 38.9345 176.1353 21 R 3.6523 9.0065 126.2461 57.2699 27.7925 177.1879 22 G 3.8279 8.0764 103.3230 45.7277 0.0000 174.0230 23 I 4.1287 7.5919 121.9136 59.0907 38.2779 175.9247 24 S 4.6399 8.3345 120.2203 57.6569 64.0506 174.8556 25 L 4.2256 8.8977 123.3703 58.6198 41.7313 179.3643 26 A 4.1661 8.1552 120.0882 55.2870 18.3249 179.2426 27 N 4.4455 8.1421 114.9695 56.2400 38.5834 177.7197 28 W 4.2237 8.0292 119.9701 59.9507 29.1622 178.3523 29 M 4.1857 8.4432 118.7889 58.5427 31.5514 177.9255 30 C 3.1626 8.0748 118.6262 59.0859 44.5999 175.3448 31 L 3.9787 8.0926 121.6151 58.2970 41.7326 178.8247 32 A 4.1619 8.3216 120.7405 54.9004 18.2546 179.4520 33 K 2.8203 8.1114 118.1382 59.3530 32.0578 179.1032 34 W 4.3876 7.6246 116.8437 59.0746 29.0791 178.3275 35 E 4.3509 8.2277 118.5880 58.5576 29.0780 177.6492 36 S 4.5207 7.8316 109.3779 56.5541 64.7020 174.4587 37 G 3.2560 8.2378 108.9324 46.9815 0.0000 173.4368 38 Y 3.6747 7.6800 113.5024 58.6117 35.0762 168.4720 39 N 5.3015 7.6861 119.0551 51.9757 39.8901 175.6997 40 T 4.0271 8.8118 116.9269 64.0114 69.1860 176.1140 41 R 4.3184 8.1056 119.4581 56.3368 30.8580 176.4708 42 A 4.3004 7.6306 121.7762 52.6180 19.3680 176.8171 43 T 4.9948 8.3616 111.4719 60.0205 72.2335 172.8457 44 N 4.9063 8.9144 123.0979 51.9448 41.8115 172.2617 45 Y 4.6371 8.6909 128.0581 57.3258 40.7095 173.9214 46 N 4.5227 8.6687 125.0549 51.2793 38.3880 175.4648 47 A 3.6577 8.2552 127.5457 54.6574 18.9429 179.2598 48 G 3.7206 8.0323 104.3861 48.0387 0.0000 173.8430 49 D 4.6943 7.4500 114.9813 52.1239 40.2431 176.0428 50 R 3.9859 8.1501 116.3713 56.9934 28.2976 175.8619 51 S 4.9304 7.7853 113.2199 57.2780 66.0965 173.0119 52 T 5.1001 8.8269 116.2111 61.9709 72.7017 172.7272 53 D 5.4999 8.9963 125.2362 53.2123 43.1741 175.0985 54 Y 4.9505 9.0922 120.9175 57.4166 41.7131 177.4218 55 G 4.1384 8.9749 111.6211 45.2048 0.0000 173.5537 56 I 3.9290 8.2311 116.8140 62.8965 37.8762 177.2519 57 F 4.6878 7.9571 115.5697 56.4147 39.9892 175.1446 58 Q 3.6527 7.8816 119.2149 57.1272 26.4366 174.0361 59 I 4.4261 8.2021 119.1622 61.0319 39.2752 177.0778 60 N 5.4030 9.2628 126.1610 53.6674 39.8923 175.4803 61 S 4.8642 8.9721 119.5613 59.5716 63.4358 175.1560 62 R 3.8707 8.7848 122.4346 58.5422 30.4443 177.5140 63 Y 4.1677 7.7690 114.8409 57.6877 40.4400 176.9122 64 W 4.9258 8.1350 118.6286 57.8011 31.2466 174.0088 65 C 5.6678 8.2761 112.3814 53.5377 46.5899 171.9917 66 N 5.0951 8.8628 118.9779 52.0593 40.0618 174.7487 67 D 4.8213 8.8281 123.8010 52.2906 40.5314 177.3206 68 G 4.0387 8.4857 108.3229 45.8783 0.0000 174.6449 69 K 4.4558 8.0022 116.3644 56.6345 32.9416 175.6848 70 T 4.5047 7.7390 116.6262 61.3412 69.5991 172.7430 71 P 4.2375 0.0000 0.0000 63.6349 31.9037 176.4501 72 G 3.7597 8.8254 109.2065 46.1382 0.0000 173.5030 73 A 4.1367 7.9083 121.8987 52.1040 18.9135 178.3421 74 V 3.8562 8.2746 121.6504 62.5660 33.6537 175.5099 75 N 4.1320 8.0078 116.1990 54.5509 36.6805 174.7210 76 A 4.1425 8.2890 121.6776 55.2821 19.1251 178.4626 77 C 4.5927 8.6215 111.6620 57.4562 41.0492 173.0498 78 H 3.9883 7.9715 116.1137 56.5057 26.4511 174.4643 79 L 4.8096 8.0585 117.1265 52.9037 46.4034 176.6105 80 S 4.6477 8.4062 115.9550 58.0370 63.2984 175.9922 81 C 4.1508 8.7005 124.3367 59.6090 38.3114 176.3801 82 S 3.9051 7.7730 114.6117 61.2112 61.6601 175.9200 83 A 4.1286 7.7898 122.5431 54.3943 17.8136 177.9420 84 L 4.4374 7.7841 116.3265 55.1428 41.8045 177.6329 85 L 5.2388 7.7235 116.8060 53.7218 42.2597 176.6749 86 Q 4.3965 7.7821 117.7339 55.2984 29.6057 175.9404 87 D 4.3927 8.5054 119.6411 56.9597 41.1558 176.5852 88 N 4.5976 8.0360 118.1436 53.0406 38.9964 174.5564 89 I 4.2421 8.4300 119.1673 61.0217 38.0028 176.9414 90 A 3.9386 8.3828 124.8250 56.0620 18.1841 180.1534 91 D 4.3096 8.0926 116.4303 57.3845 40.8663 178.7209 92 A 4.1028 7.9763 120.9323 55.1239 18.4217 179.7359 93 V 3.3701 8.1758 116.8501 65.9671 31.4601 178.1059 94 A 3.8319 8.0002 120.5754 55.2953 18.2159 178.8536 95 C 4.2304 8.4051 116.7978 59.6503 38.0498 175.5712 96 A 3.9314 8.2599 122.8132 55.0968 17.6067 179.7737 97 K 3.8165 7.6944 116.3000 59.4329 32.3485 179.2502 98 R 4.0695 7.6393 119.1132 59.2380 29.8706 178.6222 99 V 2.3335 7.4209 118.0224 65.6814 31.3351 177.8831 100 V 3.9222 7.5877 109.5464 62.5126 31.3725 177.8761 101 R 4.2623 7.6861 117.5369 56.9755 30.5856 176.4389 102 D 4.7180 7.3079 119.4591 52.7906 41.9569 175.4330 103 P 4.2021 0.0000 0.0000 66.1409 31.5508 178.1900 104 Q 4.0183 8.1782 116.3128 56.7855 30.0697 177.5322 105 G 3.6614 7.8771 107.0350 47.2100 0.0000 175.9257 106 I 3.8123 7.7171 121.3418 62.7432 38.0053 177.4935 107 R 4.2507 7.3105 117.2746 57.9579 30.0109 177.4732 108 A 3.9157 7.6052 120.8387 53.9880 18.7531 177.6196 109 W 4.7513 7.9803 117.1740 55.2727 30.1635 177.4158 110 V 3.7324 8.7716 123.5938 66.0791 30.8967 177.6425 111 A 4.0632 8.2949 120.0644 54.8521 18.1008 179.2585 112 W 3.9858 8.3593 126.6116 60.6393 30.5544 178.5019 113 R 3.8600 8.1561 116.7124 59.3397 29.6774 178.3290 114 N 4.3784 7.9562 115.2471 55.3771 38.7010 176.7921 115 R 4.0814 7.8223 116.5952 55.8590 31.6474 176.0206 116 C 4.5556 7.1747 114.5043 57.7416 42.8174 174.2431 117 Q 3.2278 6.6089 119.7440 57.3095 28.7161 175.5929 118 N 4.1905 8.6717 119.9400 54.0849 36.2324 173.7987 119 R 4.4941 7.2691 116.0044 54.0546 32.8473 175.7755 120 D 4.5489 8.4410 119.0529 54.2066 40.3391 175.7256 121 V 4.6039 8.1863 118.9720 61.4146 32.3262 178.5819 122 R 4.0871 8.0863 122.8774 59.1879 29.4973 178.7529 123 Q 4.0062 8.0768 116.3360 59.4112 28.3818 178.0076 124 Y 4.3368 7.7562 117.2167 59.7747 38.3795 176.5589 125 V 4.3499 7.7476 110.8239 60.4576 33.3376 175.2490 126 Q 4.0867 8.1336 121.7668 57.6712 28.9906 176.4098 127 G 3.9369 8.8881 112.3263 46.3882 0.0000 174.5282 128 C 4.4363 8.0880 115.9456 56.7242 40.6404 174.1127 129 G 3.8157 8.1970 107.1837 46.7379 0.0000 174.0229 130 V 4.0083 7.8442 117.9827 61.0840 32.0951 175.8552 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 8.17 4.16 0.00 1.83 1.63 0.00 1.28 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.13 7.81 2 V 8.16 4.58 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 0.89 0.00 0.00 0.99 0.00 0.00 3 F 9.31 4.42 0.00 2.85 2.80 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 4 E 9.12 4.22 0.00 2.03 1.80 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 2.28 2.39 0.00 5 R 8.97 3.35 0.00 1.94 1.91 0.00 3.46 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.36 4.36 0.00 3.15 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 7 E 8.36 3.90 0.00 2.08 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 0.00 2.55 2.38 0.00 8 L 8.02 3.57 0.00 1.38 1.40 -0.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.94 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 10 R 8.06 3.92 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 T 7.87 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 1.18 0.00 0.00 12 L 8.12 3.89 0.00 1.59 1.58 0.93 0.41 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 13 K 7.99 3.92 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.72 3.97 0.00 2.02 2.05 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.38 4.38 0.00 1.66 1.54 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.74 3.86 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 0.00 0.00 0.00 17 M 7.80 3.86 0.00 1.27 1.95 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 18 D 8.00 4.40 0.00 2.69 2.67 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 19 G 9.41 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 20 Y 8.24 4.21 0.00 3.34 3.15 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 21 R 9.01 3.65 0.00 1.93 1.86 0.00 3.20 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.42 0.00 22 G 8.08 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 0.00 0.00 0.00 23 I 7.59 4.13 1.86 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 0.91 0.62 -0.13 0.00 0.00 24 S 8.33 4.64 0.00 4.07 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 25 L 8.90 4.23 0.00 2.07 1.81 0.99 1.16 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 26 A 8.16 4.17 1.49 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 27 N 8.14 4.45 0.00 2.85 2.75 0.00 0.00 6.94 7.41 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 28 W 8.03 4.22 0.00 3.56 3.15 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 29 M 8.44 4.19 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.93 0.00 30 C 8.07 3.16 0.00 2.49 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 31 L 8.09 3.98 0.00 1.86 1.88 0.62 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.32 4.16 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 33 K 8.11 2.82 0.00 1.68 1.61 0.00 0.63 0.00 0.00 0.95 0.00 0.00 2.59 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.13 0.35 7.81 34 W 7.62 4.39 0.00 3.35 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 35 E 8.23 4.35 0.00 2.03 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 0.00 2.54 2.37 0.00 36 S 7.83 4.52 0.00 4.08 4.13 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 37 G 8.24 3.26 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 0.00 38 Y 7.68 3.67 0.00 3.23 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 39 N 7.69 5.30 0.00 2.82 2.81 0.00 0.00 7.01 6.88 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 40 T 8.81 4.03 4.45 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 1.43 0.00 0.00 41 R 8.11 4.32 0.00 2.03 2.04 0.00 3.19 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 42 A 7.63 4.30 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 43 T 8.36 4.99 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 1.34 0.00 0.00 44 N 8.91 4.91 0.00 2.85 2.77 0.00 0.00 6.56 6.90 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 45 Y 8.69 4.64 0.00 3.05 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 46 N 8.67 4.52 0.00 2.65 2.61 0.00 0.00 6.54 7.82 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 47 A 8.26 3.66 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.03 3.72 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 0.00 0.00 0.00 49 D 7.45 4.69 0.00 2.67 2.67 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 50 R 8.15 3.99 0.00 2.04 2.20 0.00 3.13 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 51 S 7.79 4.93 0.00 3.93 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 52 T 8.83 5.10 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 0.61 0.00 0.00 53 D 9.00 5.50 0.00 2.70 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 54 Y 9.09 4.95 0.00 3.00 2.88 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 55 G 8.97 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.23 3.93 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.86 -0.02 0.00 0.00 57 F 7.96 4.69 0.00 3.20 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 58 Q 7.88 3.65 0.00 2.54 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.79 0.00 59 I 8.20 4.43 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 1.14 0.00 0.00 60 N 9.26 5.40 0.00 3.09 3.02 0.00 0.00 6.98 7.20 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 61 S 8.97 4.86 0.00 4.09 4.37 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 62 R 8.78 3.87 0.00 1.65 1.63 0.00 2.69 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 63 Y 7.77 4.17 0.00 1.75 1.66 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 64 W 8.13 4.93 0.00 3.57 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 65 C 8.28 5.67 0.00 3.08 3.24 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 0.00 66 N 8.86 5.10 0.00 2.84 2.69 0.00 0.00 7.07 8.04 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 67 D 8.83 4.82 0.00 2.85 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 68 G 8.49 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 0.00 0.00 0.00 69 K 8.00 4.46 0.00 1.87 1.90 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 70 T 7.74 4.50 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 71 P 0.00 4.24 0.00 2.01 1.96 0.00 3.76 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 2.02 2.08 0.00 72 G 8.83 3.76 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 0.00 0.00 0.00 73 A 7.91 4.14 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 74 V 8.27 3.86 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 0.66 0.00 0.00 0.91 0.00 0.00 75 N 8.01 4.13 0.00 2.94 2.69 0.00 0.00 7.10 8.71 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 76 A 8.29 4.14 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 77 C 8.62 4.59 0.00 3.35 3.26 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 78 H 7.97 3.99 0.00 3.30 3.39 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.06 4.81 0.00 1.72 1.50 0.97 0.83 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 80 S 8.41 4.65 0.00 3.83 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 81 C 8.70 4.15 0.00 2.23 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 82 S 7.77 3.91 0.00 3.84 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 83 A 7.79 4.13 1.39 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 0.00 0.00 0.00 84 L 7.78 4.44 0.00 1.94 1.82 1.06 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.72 5.24 0.00 1.79 1.71 1.12 1.19 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 86 Q 7.78 4.40 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.51 4.39 0.00 2.65 2.67 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 88 N 8.04 4.60 0.00 2.70 2.76 0.00 0.00 6.96 7.94 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 89 I 8.43 4.24 1.80 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 1.58 0.52 0.98 0.00 0.00 90 A 8.38 3.94 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 91 D 8.09 4.31 0.00 2.72 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 92 A 7.98 4.10 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 93 V 8.18 3.37 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 0.94 0.00 0.00 94 A 8.00 3.83 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 95 C 8.41 4.23 0.00 3.07 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 96 A 8.26 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.69 3.82 0.00 1.65 1.47 0.00 1.30 0.00 0.00 0.90 0.00 0.00 2.25 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.64 4.07 0.00 1.91 2.13 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 99 V 7.42 2.33 1.83 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 -0.16 0.00 0.00 -0.49 0.00 0.00 100 V 7.59 3.92 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 1.24 0.00 0.00 1.41 0.00 0.00 101 R 7.69 4.26 0.00 2.07 2.03 0.00 3.22 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.12 0.00 102 D 7.31 4.72 0.00 2.99 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 0.00 103 P 0.00 4.20 0.00 2.01 2.13 0.00 3.68 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 2.02 2.14 0.00 104 Q 8.18 4.02 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.88 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 0.00 0.00 0.00 106 I 7.72 3.81 1.08 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.79 -0.75 0.00 0.00 107 R 7.31 4.25 0.00 2.01 2.02 0.00 3.22 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.48 0.00 108 A 7.61 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.98 4.75 0.00 3.49 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 0.00 110 V 8.77 3.73 2.18 0.00 0.00 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 1.00 0.00 0.00 111 A 8.29 4.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.36 3.99 0.00 3.47 3.48 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 0.00 113 R 8.16 3.86 0.00 2.00 2.00 0.00 3.35 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 114 N 7.96 4.38 0.00 2.56 2.71 0.00 0.00 6.93 7.69 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 0.00 115 R 7.82 4.08 0.00 1.20 0.68 0.00 2.21 0.00 0.00 2.48 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.00 116 C 7.17 4.56 0.00 1.70 2.68 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 0.00 117 Q 6.61 3.23 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.67 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 118 N 8.67 4.19 0.00 2.80 2.82 0.00 0.00 6.88 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 0.00 119 R 7.27 4.49 0.00 1.81 1.82 0.00 3.18 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 120 D 8.44 4.55 0.00 2.65 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 0.00 121 V 8.19 4.60 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 0.98 0.00 0.00 1.04 0.00 0.00 122 R 8.09 4.09 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 123 Q 8.08 4.01 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.12 0.00 0.00 0.00 0.00 0.00 2.08 1.56 0.00 124 Y 7.76 4.34 0.00 3.20 3.15 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 0.00 125 V 7.75 4.35 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 0.90 0.00 0.00 1.03 0.00 0.00 126 Q 8.13 4.09 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 127 G 8.89 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 0.00 128 C 8.09 4.44 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 129 G 8.20 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 0.00 130 V 7.84 4.01 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 0.78 0.00 0.00 0.96 0.00 0.00