NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5066 8.3049 120.3343 55.7718 34.9217 176.4532 2 S 4.5296 7.7894 118.0084 54.3369 60.7774 171.7639 3 Q 6.0400 10.6776 129.3164 56.8872 31.9785 175.6279 4 F 4.3641 9.1206 119.6587 58.2280 38.0272 175.4595 5 T 3.9739 7.7491 116.4470 63.2561 69.6022 173.8810 6 L 4.5527 7.9065 126.5512 54.3169 40.7252 173.4556 7 Y 4.3547 8.6666 118.2135 56.7613 39.3026 174.2701 8 K 4.3791 8.9290 127.1012 56.3132 33.7674 174.7824 9 N 3.3843 9.1642 128.2202 54.6038 37.4092 178.2707 10 K 3.6346 9.2334 124.4050 56.9775 36.0658 173.5605 11 D 4.6545 7.8614 119.5893 53.6209 42.3174 177.2873 12 K 3.3453 8.8208 127.0512 59.8043 31.8597 179.2067 13 S 4.1438 8.0218 114.9086 61.3254 62.4413 176.0803 14 S 4.0680 8.8549 116.8196 61.4092 61.7831 175.9154 15 A 3.9276 7.3959 123.6335 53.9858 17.9421 179.1417 16 K 3.8968 7.7306 116.7838 59.5899 32.2240 177.7062 17 T 3.9918 7.5347 112.3131 64.4454 69.9407 174.4478 18 Y 4.7622 8.7972 121.2813 55.7563 40.7351 173.9049 19 P 4.0611 0.0000 0.0000 65.0037 33.1140 175.1122 20 Y 4.2653 7.6852 116.2261 56.2188 42.0006 173.1225 21 F 5.6328 9.3053 117.6440 57.2966 44.6037 173.6570 22 V 4.6680 8.3958 119.0567 60.9467 34.9000 173.7141 23 D 4.5524 8.3134 128.2720 54.9887 41.9591 175.6621 24 V 4.6314 7.6377 126.2135 59.7012 32.8328 173.9050 25 Q 4.4882 8.3667 135.0000 56.8435 32.7644 175.6901 26 S 4.2006 8.6072 117.9806 58.1509 62.0427 173.8815 27 D 4.3737 8.5810 125.3240 57.1460 41.0069 178.7047 28 L 4.2206 7.8855 117.6066 57.3631 42.0317 178.5433 29 L 4.5560 7.5660 116.1512 54.8696 42.0548 178.4354 30 D 4.3783 8.0344 119.2384 56.0518 39.3348 176.6555 31 N 4.8769 7.8122 115.1839 52.0326 39.6604 174.8285 32 L 4.0643 7.9324 116.1846 58.1481 42.1072 177.6971 33 N 5.0883 7.5655 113.0881 53.7500 42.0868 173.3533 34 T 4.5743 7.6697 106.2884 61.5127 71.3391 172.2742 35 R 4.5938 7.9192 116.3429 54.7215 33.4446 174.2149 36 L 4.5178 8.4616 122.7916 54.7555 42.6818 175.7311 37 V 5.4708 8.2149 120.2288 58.8295 35.6334 175.3340 38 I 4.5807 8.2145 117.1222 57.9938 38.2189 170.9622 39 P 4.8047 0.0000 0.0000 64.2426 32.1372 175.9120 40 L 5.1911 9.1209 125.1527 54.5564 43.2647 175.9427 41 T 5.1602 8.3463 114.1351 60.5461 71.5915 170.7311 42 P 4.7657 0.0000 0.0000 62.4332 31.8857 177.2508 43 I 3.7263 8.4398 125.2192 64.1695 36.8563 177.9466 44 E 3.9508 7.9805 119.8049 59.2995 29.4439 178.6627 45 L 4.1471 7.7493 117.1012 56.6094 41.6053 177.8134 46 L 4.5616 7.1709 117.0588 54.1678 41.9570 171.8617 47 D 4.5524 8.1298 128.0078 53.4782 40.7964 175.3434 48 K 3.7202 8.6854 125.5545 58.4021 32.9495 176.8805 49 K 4.2957 7.2607 119.4018 56.0115 31.9926 176.5616 50 A 4.5333 7.4176 121.0559 50.8663 20.7126 175.8150 51 P 4.5308 0.0000 0.0000 62.2986 32.5527 175.3594 52 S 4.7320 7.9625 113.1355 57.2403 63.6472 171.2772 53 H 4.5426 8.3961 129.5157 55.7383 31.1527 173.9190 54 L 4.7517 6.8061 118.9616 53.4506 45.1586 173.5785 55 C 4.2578 8.2710 123.0820 58.5253 25.2033 171.4623 56 P 4.5488 0.0000 0.0000 62.8692 32.6603 175.7330 57 T 5.5430 8.5212 117.3297 61.6350 71.3324 173.0087 58 I 3.4821 7.6816 115.1669 59.4135 41.6849 174.1392 59 H 5.1814 8.8809 117.9569 53.9362 29.3074 173.2759 60 I 4.4716 9.2093 117.8363 58.4837 40.3209 176.7932 61 D 4.3887 8.9569 119.1202 57.9037 40.6087 177.4003 62 E 4.3705 8.2562 114.5028 56.8395 30.6809 176.5210 63 G 4.0006 8.9049 105.3832 44.2434 0.0000 172.6322 64 D 5.6885 7.8156 122.1289 53.2460 42.8662 176.1007 65 F 4.9881 8.0175 118.2254 57.0423 44.0645 172.5720 66 I 5.0070 9.3487 112.5987 59.8302 41.1682 174.3297 67 M 4.0522 9.5440 127.0135 55.4491 32.3237 176.0596 68 L 4.3053 9.3923 130.1133 54.3661 40.6773 177.0736 69 T 4.1981 7.8444 112.5291 62.8481 69.7891 177.4557 70 Q 4.0651 8.0885 119.2237 57.9165 28.6101 175.4846 71 Q 4.3056 7.1278 114.2946 55.8653 31.5073 171.2800 72 M 3.1718 7.8875 123.1958 55.2696 33.8871 176.1007 73 T 4.2806 7.4883 114.8107 61.0052 71.7361 172.1564 74 S 5.0063 8.6699 123.3337 58.2610 63.8671 174.6537 75 V 3.9368 7.9740 118.3391 58.5006 30.9401 172.9872 76 P 4.2433 0.0000 0.0000 60.8409 32.8905 177.4562 77 V 3.5970 8.9479 122.7633 64.9645 31.1400 178.2890 78 K 3.7667 8.1347 118.1476 59.7458 31.7857 177.3707 79 I 4.3230 7.5968 119.2415 60.1331 38.1483 176.8559 80 L 4.2436 8.0461 120.7897 55.0220 40.7686 175.1198 81 S 4.1829 8.0335 115.7003 57.6276 62.5930 172.8141 82 E 4.2574 8.4243 124.2039 54.6463 28.2395 173.6739 83 P 4.0632 0.0000 0.0000 62.3274 29.1676 175.8721 84 V 4.0472 7.9726 117.1868 63.0034 33.0227 175.8327 85 N 4.5781 7.4814 115.8871 53.8913 41.3650 172.3520 86 E 4.6939 8.5042 113.1588 55.7157 32.6935 175.5598 87 L 4.8628 8.1939 123.1299 54.2661 40.2066 177.1376 88 S 3.9928 7.8524 119.9257 62.4313 63.2395 176.0477 89 T 3.4009 7.8554 114.3563 64.5441 67.1981 174.7679 90 F 4.6388 7.5366 118.4613 57.0572 39.0698 177.2972 91 R 3.0820 8.6306 120.3242 59.3703 28.6592 178.2647 92 N 4.2571 8.0142 117.0541 55.5635 37.2392 176.2001 93 E 4.0015 8.1710 122.1032 59.2879 29.4595 179.0107 94 I 3.7134 7.6932 118.8108 65.0239 36.4638 177.7677 95 I 4.0084 7.9655 120.7698 63.0468 36.9877 178.0266 96 A 4.1978 9.2164 122.2651 56.1803 18.3622 178.7657 97 A 3.9019 8.4189 118.0368 56.1219 17.9115 179.5042 98 I 3.9165 7.9373 115.8529 64.6369 37.6233 178.2309 99 D 4.2619 9.6025 118.5323 56.6356 40.8476 177.5137 100 F 4.6805 8.5942 120.2991 60.0734 40.1867 177.3463 101 L 3.6409 8.6901 119.6042 57.7873 41.9657 177.6674 102 I 4.1691 8.7341 118.9141 61.9563 38.1551 176.4534 103 T 4.3177 8.1806 107.9370 61.7163 70.4189 175.0972 104 G 4.4128 8.2417 108.4194 45.8459 0.0000 173.0203 105 I 3.9181 8.2358 119.0026 61.0451 37.3095 175.4599 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 M 8.30 4.51 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 2 S 7.79 4.53 0.00 4.27 3.99 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 3 Q 10.68 6.04 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 5.54 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 4 F 9.12 4.36 0.00 3.17 3.30 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 5 T 7.75 3.97 2.69 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 0.88 0.00 0.00 6 L 7.91 4.55 0.00 1.60 1.65 0.52 0.81 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 7 Y 8.67 4.35 0.00 3.25 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 8 K 8.93 4.38 0.00 1.74 1.58 0.00 0.89 0.00 0.00 1.05 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.28 7.81 9 N 9.16 3.38 0.00 2.50 2.74 0.00 0.00 7.80 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 10 K 9.23 3.63 0.00 2.06 1.97 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.67 7.81 11 D 7.86 4.65 0.00 2.74 2.55 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 12 K 8.82 3.35 0.00 1.83 1.80 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.53 7.81 13 S 8.02 4.14 0.00 3.85 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 14 S 8.85 4.07 0.00 4.01 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 15 A 7.40 3.93 1.19 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 0.00 0.00 16 K 7.73 3.90 0.00 1.77 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 17 T 7.53 3.99 3.63 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 0.08 0.00 0.00 18 Y 8.80 4.76 0.00 2.88 2.94 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 19 P 0.00 4.06 0.00 0.49 1.59 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 20 Y 7.69 4.27 0.00 2.75 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 21 F 9.31 5.63 0.00 2.87 2.91 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 22 V 8.40 4.67 2.17 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 1.23 0.00 0.00 0.97 0.00 0.00 23 D 8.31 4.55 0.00 1.70 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 24 V 7.64 4.63 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 0.84 0.00 0.00 1.04 0.00 0.00 25 Q 8.37 4.49 0.00 1.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.17 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 26 S 8.61 4.20 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 27 D 8.58 4.37 0.00 2.63 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 28 L 7.89 4.22 0.00 1.62 1.70 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.57 4.56 0.00 1.61 1.65 0.91 1.01 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 30 D 8.03 4.38 0.00 3.19 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 31 N 7.81 4.88 0.00 2.79 2.81 0.00 0.00 7.06 7.87 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 32 L 7.93 4.06 0.00 1.66 1.69 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.57 5.09 0.00 2.60 2.77 0.00 0.00 6.51 7.04 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 34 T 7.67 4.57 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 35 R 7.92 4.59 0.00 1.74 2.14 0.00 2.32 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 36 L 8.46 4.52 0.00 2.02 1.79 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.21 5.47 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 0.85 0.00 0.00 0.74 0.00 0.00 38 I 8.21 4.58 1.91 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 1.46 0.97 0.94 0.00 0.00 39 P 0.00 4.80 0.00 2.35 2.63 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 40 L 9.12 5.19 0.00 1.43 1.34 0.54 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.35 5.16 4.43 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 1.45 0.00 0.00 42 P 0.00 4.77 0.00 2.35 2.56 0.00 3.93 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 43 I 8.44 3.73 1.75 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 1.52 0.79 0.87 0.00 0.00 44 E 7.98 3.95 0.00 1.94 1.91 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 2.35 2.31 0.00 45 L 7.75 4.15 0.00 1.84 1.72 0.95 0.74 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 46 L 7.17 4.56 0.00 1.77 1.67 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.13 4.55 0.00 2.92 2.74 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 48 K 8.69 3.72 0.00 1.67 1.82 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.45 7.81 49 K 7.26 4.30 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.38 7.81 50 A 7.42 4.53 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 51 P 0.00 4.53 0.00 2.17 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 52 S 7.96 4.73 0.00 3.84 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 53 H 8.40 4.54 0.00 3.34 3.34 0.00 5.52 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 54 L 6.81 4.75 0.00 1.49 1.36 1.10 0.90 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 55 C 8.27 4.26 0.00 3.23 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 56 P 0.00 4.55 0.00 2.24 2.16 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 57 T 8.52 5.54 4.21 0.00 0.00 0.00 0.00 0.00 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 58 I 7.68 3.48 0.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 -0.56 0.00 0.00 59 H 8.88 5.18 0.00 3.20 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 9.21 4.47 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.90 0.00 0.00 61 D 8.96 4.39 0.00 2.70 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 62 E 8.26 4.37 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 2.37 2.20 0.00 63 G 8.90 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 0.00 0.00 0.00 64 D 7.82 5.69 0.00 2.32 2.46 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 65 F 8.02 4.99 0.00 2.84 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 66 I 9.35 5.01 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.98 0.00 0.00 67 M 9.54 4.05 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 68 L 9.39 4.31 0.00 2.01 1.63 1.03 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.84 4.20 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 1.24 0.00 0.00 70 Q 8.09 4.07 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 71 Q 7.13 4.31 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.03 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 72 M 7.89 3.17 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 73 T 7.49 4.28 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 1.00 0.00 0.00 74 S 8.67 5.01 0.00 3.93 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 75 V 7.97 3.94 1.67 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 -0.61 0.00 0.00 0.84 0.00 0.00 76 P 0.00 4.24 0.00 2.14 1.93 0.00 3.48 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 77 V 8.95 3.60 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 1.00 0.00 0.00 1.00 0.00 0.00 78 K 8.13 3.77 0.00 1.89 2.03 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.41 7.81 79 I 7.60 4.32 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.94 0.00 0.00 80 L 8.05 4.24 0.00 1.77 1.70 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.03 4.18 0.00 4.29 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 82 E 8.42 4.26 0.00 2.14 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 2.27 2.27 0.00 83 P 0.00 4.06 0.00 2.08 1.92 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 84 V 7.97 4.05 2.06 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 0.68 0.00 0.00 0.94 0.00 0.00 85 N 7.48 4.58 0.00 2.61 2.64 0.00 0.00 6.80 7.68 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 86 E 8.50 4.69 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 2.16 2.26 0.00 87 L 8.19 4.86 0.00 2.10 1.88 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.85 3.99 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 89 T 7.86 3.40 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 0.72 0.00 0.00 90 F 7.54 4.64 0.00 3.16 2.85 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 91 R 8.63 3.08 0.00 1.09 1.47 0.00 2.75 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 92 N 8.01 4.26 0.00 2.95 3.11 0.00 0.00 5.84 7.70 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 93 E 8.17 4.00 0.00 2.41 1.98 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 2.18 2.42 0.00 94 I 7.69 3.71 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.39 1.07 0.00 0.00 95 I 7.97 4.01 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.21 0.99 0.00 0.00 96 A 9.22 4.20 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 97 A 8.42 3.90 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 98 I 7.94 3.92 2.21 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 1.44 1.03 0.95 0.00 0.00 99 D 9.60 4.26 0.00 2.95 2.85 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 0.00 100 F 8.59 4.68 0.00 3.04 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 0.00 101 L 8.69 3.64 0.00 1.50 1.89 0.90 1.12 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 0.00 102 I 8.73 4.17 1.94 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 1.34 0.73 0.90 0.00 0.00 103 T 8.18 4.32 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 1.37 0.00 0.00 104 G 8.24 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 0.00 0.00 0.00 0.00 105 I 8.24 3.92 1.93 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 1.48 0.82 1.10 0.00 0.00