NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3598 8.3344 116.7925 57.9013 63.5814 173.0524 4 N 4.1931 8.4239 125.4076 52.7373 39.3251 174.1783 5 A 4.0438 8.6175 129.2588 55.1909 19.7766 178.2441 6 S 4.3933 8.2445 109.4141 60.9321 63.5783 175.2264 7 A 2.7280 6.6311 122.6909 51.1975 18.5202 177.3928 8 L 3.3424 7.8132 122.7486 57.3612 41.8629 178.5859 9 G 3.7690 7.4668 106.4622 45.4544 0.0000 173.9577 10 R 3.9389 8.4915 122.0215 58.6441 30.1666 175.8371 11 N 4.8570 7.5651 113.0333 50.6604 40.2965 174.8647 12 G 3.5969 8.8184 103.7276 48.3694 0.0000 175.7607 13 V 3.6616 7.9241 120.7907 65.7758 31.2882 177.3909 14 H 4.1649 8.7210 117.9657 59.5268 29.7971 176.9698 15 D 4.2527 7.7848 120.1133 57.1625 40.6009 178.5360 16 F 4.1012 8.3374 121.1040 61.4329 39.3937 177.1198 17 I 3.6121 7.8980 119.1100 64.5761 37.0927 178.3497 18 L 3.8237 8.0907 119.9635 57.8044 41.3721 180.0717 19 V 3.4462 7.6298 117.9543 66.0068 31.5503 178.2537 20 R 3.7898 7.7552 117.5288 59.2442 29.8951 178.9409 21 A 3.9929 8.6092 121.1093 55.3861 18.3616 179.8291 22 T 3.8967 7.9583 107.9797 64.6317 68.9103 176.7646 23 A 3.9621 8.1463 123.6811 55.0126 18.3911 179.6849 24 I 3.6354 7.7088 118.1346 64.5516 37.2394 178.6685 25 V 3.6896 7.5863 118.5593 66.3428 31.3028 178.1300 26 L 4.1754 8.4945 118.8641 57.9099 41.3708 179.6563 27 T 3.9322 7.9686 116.0251 66.4657 68.3028 176.6684 28 L 4.0906 8.0523 120.9073 58.1177 41.7772 178.8156 29 Y 3.1261 8.1140 119.3951 60.4848 38.4995 178.3967 30 I 3.6737 8.0174 120.6088 64.3512 37.1648 178.2844 31 I 3.6936 7.7104 120.6432 64.5944 36.8431 177.5054 32 Y 4.4275 8.2939 120.5229 61.4263 38.6641 178.4655 33 M 3.9071 7.9778 119.4060 58.0104 31.9445 179.0770 34 V 3.8029 8.6345 119.1276 66.1242 31.5973 178.1074 35 G 3.7528 8.6532 105.2107 47.9433 0.0000 175.0398 36 F 3.8936 7.7545 122.4232 61.1426 39.1492 177.4378 37 F 3.9844 7.7781 115.5087 59.9318 38.6662 176.5145 38 A 4.5292 7.7729 118.3309 52.3086 18.3174 177.5035 39 T 4.5405 7.2909 113.0488 64.2421 70.5521 174.6525 40 S 4.2614 8.0885 117.7198 59.4958 66.1937 177.0993 41 G 3.6908 8.1409 107.6442 46.6574 0.0000 175.9924 42 E 4.2202 9.1630 125.7220 54.6277 29.8413 175.3594 43 L 4.2379 8.3687 127.0291 54.6873 42.7756 176.4967 44 T 4.6704 8.2596 122.7506 62.0847 71.8136 174.9268 45 Y 4.4939 8.8113 124.4451 61.2546 38.6008 178.8387 46 E 3.9270 8.2692 119.0916 59.2314 29.6853 179.2081 47 V 3.7491 7.7284 117.9451 65.6328 31.5559 177.5327 48 W 4.8575 8.8558 128.6936 60.9347 30.6687 177.8789 49 I 3.5468 7.8342 118.4182 63.6694 37.0919 178.2137 50 G 3.6170 7.6579 105.9438 47.5820 0.0000 175.2622 51 F 4.3881 8.0217 122.2587 60.9442 39.6388 176.7672 52 F 3.7439 7.8812 116.7811 59.1516 38.7507 177.2426 53 A 4.2244 7.8216 117.6951 52.0871 18.2947 176.8775 54 S 4.3093 7.5024 114.3905 57.1164 63.4086 174.3005 55 A 3.9483 8.9694 130.1179 55.5339 18.0067 179.0320 56 F 3.8000 8.2122 118.1544 61.9701 39.5333 177.4211 57 T 3.8562 7.8639 114.6642 66.2157 68.2450 176.8745 58 K 3.8496 8.0766 120.8051 59.5161 31.9753 179.6454 59 V 3.4930 7.9629 118.7040 65.3482 31.2366 177.9280 60 F 4.1915 7.7883 120.5726 61.4805 39.4753 177.4056 61 T 3.3739 7.8101 116.6135 65.7399 68.3081 176.1038 62 L 4.0138 7.6431 119.5829 56.3895 41.7731 178.8773 63 L 4.0643 7.4084 120.7753 57.5940 41.9640 178.6933 64 A 3.8022 7.9790 121.1858 55.1073 18.3929 179.2936 65 L 3.9247 7.4662 117.1496 58.2920 41.5054 179.8063 66 F 4.4397 8.1719 119.7618 61.4382 39.3047 177.4166 67 S 3.9825 8.1936 114.7205 61.1107 62.5018 176.7176 68 I 3.7473 8.0808 123.5056 64.0517 36.8221 177.7050 69 L 4.0958 7.7991 120.7374 58.6003 41.7817 179.1585 70 I 3.6396 7.2758 119.1539 64.7543 36.9776 177.8290 71 H 4.0823 8.4870 118.9469 59.2401 29.8223 177.2271 72 A 4.1269 8.9771 122.9764 54.5718 18.2139 179.3266 73 W 4.1349 8.3634 127.3616 60.9599 30.8414 178.1622 74 I 3.9954 7.8972 119.6574 64.3038 36.5398 178.8604 75 G 3.5758 8.4520 106.5648 48.3079 0.0000 175.7790 76 M 4.1638 8.5223 122.4043 57.6434 32.0084 178.7542 77 W 4.1211 8.5939 128.6593 60.4630 30.6493 178.1684 78 Q 3.5859 8.0073 117.2975 58.6166 28.4557 178.4340 79 V 3.3872 7.6116 119.1983 66.0746 31.7319 178.0633 80 L 3.8913 7.7650 118.4761 58.1248 41.1633 179.7541 81 T 3.5853 6.8898 114.4216 65.9492 68.1907 176.0349 82 D 4.3339 7.2437 120.2095 56.5123 41.1707 176.9272 83 Y 4.6635 7.1556 114.4477 59.3140 39.1750 176.3143 84 V 4.0543 7.2421 120.0218 61.4643 29.9592 175.3513 85 K 4.0922 8.1723 124.4170 57.7556 32.8186 176.5532 86 P 4.3896 0.0000 0.0000 61.9254 32.1131 175.8811 87 L 3.8530 8.7985 124.9281 58.5633 41.7695 178.4328 88 A 4.0033 8.0589 119.5242 55.3313 18.3483 179.2363 89 L 3.8555 7.8206 117.8509 58.3754 42.2610 178.8415 90 R 3.8936 7.9943 118.6119 59.6031 29.9529 178.4446 91 L 4.0140 8.0939 118.6858 57.7097 41.4729 179.0308 92 M 3.9841 7.8224 118.1997 58.7180 32.1682 178.0265 93 L 3.9355 7.7617 118.6599 58.1600 41.8283 179.3190 94 Q 3.9506 8.3004 117.8300 59.2392 28.6930 179.4677 95 L 3.8319 8.0563 120.9863 58.0322 42.0886 179.1743 96 V 3.4960 7.9437 118.5414 66.0245 31.3882 178.1041 97 I 3.5718 8.2593 119.8354 64.4430 36.9404 178.7222 98 V 3.1416 7.8524 119.3776 65.3395 31.1497 178.3909 99 V 3.3770 7.5721 118.0422 65.7685 31.4344 177.4585 100 A 3.6137 7.8071 120.6972 55.2924 18.0256 179.5258 101 L 3.8026 7.8164 117.3129 57.9971 41.7458 180.0012 102 V 3.6758 7.7994 118.1294 66.0528 31.3468 178.2435 103 V 3.6566 8.2673 118.3585 65.9802 31.2280 177.4096 104 Y 4.5945 7.9854 116.7286 61.5111 37.8142 179.1071 105 V 3.7643 7.9217 118.5644 66.0347 31.6634 178.2178 106 I 3.9376 7.9288 119.6676 64.5695 36.9568 177.6877 107 Y 4.2897 9.0834 121.2880 60.5184 38.5028 178.0830 108 G 3.6281 8.3588 106.9335 47.9890 0.0000 175.2142 109 F 3.7570 8.1136 120.6477 60.0172 38.8623 177.7602 110 V 2.0000 7.0486 117.2927 65.3791 30.9454 178.1290 111 V 3.1678 6.9177 116.4453 65.7932 31.5109 177.8227 112 V 3.6220 7.5599 118.3816 65.6559 31.2254 177.8236 113 W 4.5486 7.8757 114.6422 58.4721 28.3277 177.7058 114 G 3.8830 7.5006 105.2917 45.6999 0.0000 173.7394 115 V 3.9687 7.4300 125.4563 62.8623 31.6114 174.9848 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 3 S 8.33 4.36 0.00 3.84 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 4 N 8.42 4.19 0.00 2.88 2.56 0.00 0.00 7.01 7.27 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 5 A 8.62 4.04 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.24 4.39 0.00 4.58 4.33 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 0.00 0.00 0.00 0.00 7 A 6.63 2.73 0.04 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 8 L 7.81 3.34 0.00 0.93 1.17 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.47 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 0.00 0.00 0.00 10 R 8.49 3.94 0.00 1.66 1.91 0.00 3.12 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 11 N 7.57 4.86 0.00 2.87 2.87 0.00 0.00 6.17 7.21 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 12 G 8.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.66 2.19 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.72 4.16 0.00 3.34 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.78 4.25 0.00 2.95 2.73 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 16 F 8.34 4.10 0.00 3.23 3.31 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 17 I 7.90 3.61 2.03 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 1.62 0.97 0.90 0.00 0.00 18 L 8.09 3.82 0.00 1.49 1.57 0.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.63 3.45 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 0.91 0.00 0.00 0.89 0.00 0.00 20 R 7.76 3.79 0.00 1.85 1.83 0.00 2.77 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.00 21 A 8.61 3.99 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 22 T 7.96 3.90 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 1.16 0.00 0.00 23 A 8.15 3.96 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 24 I 7.71 3.64 2.02 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 1.42 0.81 0.94 0.00 0.00 25 V 7.59 3.69 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 1.16 0.00 0.00 0.99 0.00 0.00 26 L 8.49 4.18 0.00 1.75 1.74 0.84 0.74 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 27 T 7.97 3.93 4.46 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 1.26 0.00 0.00 28 L 8.05 4.09 0.00 2.22 2.04 1.02 0.87 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 29 Y 8.11 3.13 0.00 2.57 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 30 I 8.02 3.67 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.93 0.00 0.00 31 I 7.71 3.69 2.14 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 1.45 1.17 0.98 0.00 0.00 32 Y 8.29 4.43 0.00 3.18 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 33 M 7.98 3.91 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 34 V 8.63 3.80 2.33 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 1.03 0.00 0.00 1.01 0.00 0.00 35 G 8.65 3.75 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 0.00 0.00 0.00 36 F 7.75 3.89 0.00 2.33 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 37 F 7.78 3.98 0.00 3.22 2.96 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 38 A 7.77 4.53 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 39 T 7.29 4.54 4.12 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 1.08 0.00 0.00 40 S 8.09 4.26 0.00 3.68 3.56 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 41 G 8.14 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 42 E 9.16 4.22 0.00 1.93 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 2.25 2.32 0.00 43 L 8.37 4.24 0.00 1.54 1.53 1.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.26 4.67 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 1.33 0.00 0.00 45 Y 8.81 4.49 0.00 3.13 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 46 E 8.27 3.93 0.00 2.08 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 2.50 2.38 0.00 47 V 7.73 3.75 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 1.18 0.00 0.00 0.99 0.00 0.00 48 W 8.86 4.86 0.00 3.43 3.09 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 0.00 49 I 7.83 3.55 1.30 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.69 0.00 0.00 50 G 7.66 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 0.00 0.00 0.00 0.00 51 F 8.02 4.39 0.00 2.81 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 52 F 7.88 3.74 0.00 2.74 2.81 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 53 A 7.82 4.22 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 54 S 7.50 4.31 0.00 3.86 3.75 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 55 A 8.97 3.95 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 56 F 8.21 3.80 0.00 3.04 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 57 T 7.86 3.86 3.61 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 -0.16 0.00 0.00 58 K 8.08 3.85 0.00 1.89 1.76 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.68 7.81 59 V 7.96 3.49 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 0.79 0.00 0.00 0.90 0.00 0.00 60 F 7.79 4.19 0.00 2.76 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 61 T 7.81 3.37 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 1.23 0.00 0.00 62 L 7.64 4.01 0.00 1.44 1.28 -0.19 -0.11 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 63 L 7.41 4.06 0.00 1.79 1.88 0.97 0.85 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 64 A 7.98 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.47 3.92 0.00 1.72 1.83 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.17 4.44 0.00 3.25 3.25 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 0.00 67 S 8.19 3.98 0.00 4.01 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 68 I 8.08 3.75 2.11 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 1.01 1.01 0.00 0.00 69 L 7.80 4.10 0.00 1.91 1.90 1.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.28 3.64 1.66 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.73 0.00 0.00 71 H 8.49 4.08 0.00 3.35 3.44 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.98 4.13 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 73 W 8.36 4.13 0.00 3.79 3.13 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 74 I 7.90 4.00 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 1.02 0.00 0.00 75 G 8.45 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.52 4.16 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.88 0.00 77 W 8.59 4.12 0.00 3.78 3.59 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 78 Q 8.01 3.59 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.56 2.85 0.00 79 V 7.61 3.39 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 1.00 0.00 0.00 0.91 0.00 0.00 80 L 7.77 3.89 0.00 1.65 1.56 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 T 6.89 3.59 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 0.84 0.00 0.00 82 D 7.24 4.33 0.00 2.02 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 0.00 0.00 0.00 83 Y 7.16 4.66 0.00 2.93 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 84 V 7.24 4.05 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 0.79 0.00 0.00 0.95 0.00 0.00 85 K 8.17 4.09 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 86 P 0.00 4.39 0.00 2.16 1.99 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 87 L 8.80 3.85 0.00 1.76 1.67 0.96 1.03 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 88 A 8.06 4.00 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 89 L 7.82 3.86 0.00 1.77 1.83 0.92 0.86 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 90 R 7.99 3.89 0.00 2.16 1.93 0.00 3.04 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 91 L 8.09 4.01 0.00 1.76 1.73 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 M 7.82 3.98 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 93 L 7.76 3.94 0.00 1.91 1.70 0.92 0.94 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 94 Q 8.30 3.95 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 95 L 8.06 3.83 0.00 1.81 1.86 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.94 3.50 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 1.00 0.00 0.00 0.95 0.00 0.00 97 I 8.26 3.57 1.98 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 1.38 0.51 0.82 0.00 0.00 98 V 7.85 3.14 1.65 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 0.02 0.00 0.00 -0.01 0.00 0.00 99 V 7.57 3.38 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 0.74 0.00 0.00 0.88 0.00 0.00 100 A 7.81 3.61 1.10 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 0.00 0.00 0.00 0.00 0.00 101 L 7.82 3.80 0.00 1.70 1.78 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.80 3.68 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 1.04 0.00 0.00 0.96 0.00 0.00 103 V 8.27 3.66 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 0.99 0.00 0.00 0.88 0.00 0.00 104 Y 7.99 4.59 0.00 3.31 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 0.00 105 V 7.92 3.76 2.44 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 1.39 0.00 0.00 1.27 0.00 0.00 106 I 7.93 3.94 1.98 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 1.45 0.93 0.99 0.00 0.00 107 Y 9.08 4.29 0.00 3.11 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 0.00 108 G 8.36 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 0.00 0.00 0.00 0.00 109 F 8.11 3.76 0.00 3.22 2.98 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 0.00 110 V 7.05 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.75 0.00 0.00 111 V 6.92 3.17 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 0.55 0.00 0.00 -0.06 0.00 0.00 112 V 7.56 3.62 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 0.95 0.00 0.00 0.82 0.00 0.00 113 W 7.88 4.55 0.00 3.41 3.42 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 0.00 114 G 7.50 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 0.00 0.00 0.00 115 V 7.43 3.97 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 0.67 0.00 0.00 0.85 0.00 0.00