NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4975 8.1693 120.6410 55.0086 43.1264 175.5291 8 H 4.9179 8.4255 115.1682 53.3640 31.6597 171.2621 9 K 4.4750 9.4918 121.7060 56.0874 33.4622 177.1962 10 E 4.9674 9.3605 124.5703 53.6229 32.5788 174.0895 11 P 4.9811 0.0000 0.0000 63.4040 32.4409 174.8090 12 A 4.8327 8.2390 121.3787 51.7602 23.1080 175.5121 13 T 4.6503 8.6663 114.9948 61.4281 72.1466 174.0180 14 L 4.2338 8.7042 128.2392 55.8176 42.3900 175.4724 15 I 4.3865 8.6345 126.3561 62.3233 38.9599 175.9134 16 K 4.6015 7.5968 120.8412 55.1281 35.5828 174.1744 17 A 4.5257 8.6773 130.2196 52.0885 19.3030 176.9127 18 I 4.2606 8.2452 122.3589 62.5881 39.2857 174.7189 19 D 4.5638 8.1444 117.7022 53.0861 44.3481 175.6960 20 G 3.6606 8.8024 109.1229 47.9190 0.0000 174.0592 21 D 4.9007 8.0390 116.7692 52.9559 40.1366 175.2138 22 T 5.2640 7.7633 116.4205 62.6342 73.3070 173.2759 23 V 4.7651 8.8900 118.0564 59.5248 36.5221 174.1182 24 K 5.0418 9.2284 125.7624 55.1371 33.9301 175.2323 25 L 5.3554 9.3308 126.3896 53.1964 46.8408 174.9006 26 M 4.8155 9.2526 121.5987 54.9201 33.9468 174.2932 27 Y 5.0606 9.0591 127.4246 56.1228 42.2409 175.3181 28 K 3.6193 9.4435 126.2212 57.5341 29.6195 176.5074 29 G 3.9823 8.5624 104.5193 45.6771 0.0000 173.9740 30 Q 4.8413 7.8303 118.0856 52.8904 32.9410 173.1490 31 P 4.9587 0.0000 0.0000 63.4889 32.4353 175.2467 32 M 4.8050 9.2845 121.1794 54.8191 36.3136 173.2223 33 T 5.0373 8.3849 121.4382 62.2028 71.3013 173.4093 34 F 5.1485 9.4328 124.2845 55.6383 42.3265 174.1275 35 R 4.8687 8.8211 124.4394 54.8290 31.5314 175.3474 36 L 4.3133 8.7962 127.9038 54.4751 41.9135 177.4127 37 L 3.8299 8.7268 125.0537 55.9627 42.2397 178.0212 38 K 3.8516 8.6508 119.1232 57.0600 30.1803 175.0418 39 V 4.7112 7.1971 111.5638 59.6574 34.0316 175.4403 40 D 4.7780 9.0887 123.8397 52.8301 43.0941 174.9063 41 T 4.7370 8.2471 115.7070 59.4421 71.2820 172.9351 42 P 4.5719 0.0000 0.0000 62.0441 32.4559 176.3411 43 E 4.3785 10.0127 122.2831 56.7378 29.9769 177.9686 44 T 4.7445 8.3494 109.2307 61.1827 70.5856 174.2375 45 K 4.4558 7.8031 119.6455 54.8897 33.1052 173.5990 46 H 4.7835 8.6499 124.3261 53.9008 33.0115 171.9925 47 P 4.2031 0.0000 0.0000 65.7353 31.1907 176.5848 48 K 4.2424 8.0166 118.1201 55.9737 33.0845 176.0125 49 K 4.4658 9.0451 126.4204 55.9862 32.3440 178.1889 50 G 4.2735 8.2369 106.4233 44.4551 0.0000 175.2663 51 V 4.3393 8.6355 125.3114 61.0068 32.8405 174.0769 52 E 4.3405 9.1502 128.5008 55.3376 31.1137 176.3257 53 K 3.9291 8.2877 123.5782 58.1185 32.6995 176.8003 54 Y 4.4788 8.0933 122.6850 59.4371 36.2776 171.2978 55 G 3.6310 8.2921 107.7523 47.4213 0.0000 174.3058 56 P 4.3366 0.0000 0.0000 64.9370 31.4595 178.6624 57 E 4.0089 8.2209 116.9691 59.3028 29.4761 179.0199 58 A 4.0368 8.2655 120.8960 55.3453 18.4510 179.8810 59 S 4.1908 8.1114 113.2246 61.6683 62.7958 176.8459 60 A 4.0094 8.2621 123.6926 54.9161 18.0298 179.3488 61 F 3.8791 8.5235 119.3205 61.8539 39.5088 177.4367 62 T 3.9121 8.1549 115.2566 66.4390 68.2265 176.4595 63 K 3.8599 8.0054 121.4144 59.4853 32.3019 178.6812 64 K 3.8241 8.2323 120.1744 59.6144 31.8414 178.3243 65 M 3.8258 7.7484 117.6376 58.7913 32.5173 178.3480 66 V 3.7972 7.9173 112.3404 63.9612 31.5377 178.4882 67 E 4.1029 8.1396 117.9576 59.1659 29.4605 177.8106 68 N 4.4718 8.0831 114.1386 54.4070 39.0269 175.5515 69 A 4.3767 7.1297 120.4919 52.0097 19.0394 177.3794 70 K 4.2016 9.0126 122.7759 57.7974 32.9763 177.4174 71 K 4.6901 8.6891 118.0941 54.4929 35.9210 175.5350 72 I 5.0040 8.3944 124.8778 59.6593 40.0993 174.4293 73 E 5.0933 9.0800 124.4797 54.6035 34.0981 174.5601 74 V 4.2342 8.9940 123.1774 61.0229 34.2224 174.2218 75 E 4.9845 8.8560 127.8873 54.3428 32.0705 174.7354 76 F 4.5366 8.7771 125.6696 57.6143 40.0961 175.6921 77 D 4.9869 8.4293 120.7883 53.3748 43.2484 175.8528 78 K 4.3552 9.7001 117.6593 57.6516 33.1353 178.3077 79 G 4.2309 7.9166 110.2570 44.7295 0.0000 173.6297 80 Q 4.1021 8.5160 122.9173 56.4035 29.3439 176.6181 81 R 4.5884 8.5089 119.6031 56.4894 31.2015 176.0879 82 T 5.0510 7.4402 107.2670 59.7623 71.8391 173.3517 83 D 4.7505 8.7367 124.3845 51.6273 41.3106 177.2580 84 K 3.8011 8.3464 117.4176 59.4909 32.3828 177.1153 85 Y 4.3577 7.9975 115.5216 57.5535 38.0430 176.0919 86 G 3.9077 8.2918 108.1215 45.7024 0.0000 173.9269 87 R 4.3411 8.4546 119.4242 54.9799 31.6780 176.5112 88 G 3.7251 8.5268 110.7804 46.2487 0.0000 172.5767 89 L 5.1966 9.1552 123.6369 53.1783 43.0525 175.5588 90 A 4.3361 8.2941 124.8669 50.9659 23.6561 173.8001 91 Y 4.7796 8.5228 117.0356 57.0040 39.8207 175.3271 92 I 4.7545 8.6125 124.6450 59.6726 40.1887 174.1978 93 Y 5.1158 8.9576 123.5263 56.0368 41.4527 174.6345 94 A 4.9342 9.0905 124.7208 50.2052 21.6994 176.2027 95 D 4.3536 9.8762 125.1171 55.9509 38.9893 175.5751 96 G 3.9765 8.3610 104.8642 45.4817 0.0000 173.6272 97 K 4.5576 8.0686 120.5490 54.8149 33.9188 175.3659 98 M 4.0228 8.4347 123.0023 54.8718 33.2236 177.1487 99 V 3.6159 8.7924 127.0367 66.0724 31.8411 177.5587 100 N 4.2559 8.0569 115.7811 56.5264 38.4506 176.7579 101 E 3.8665 8.0370 119.5777 59.2531 29.8786 178.4002 102 A 4.1095 8.1423 120.8043 55.1451 18.4222 179.6561 103 L 3.2750 8.1142 117.5481 57.6981 41.6460 179.9361 104 V 3.7832 7.4444 118.9869 65.5685 31.3052 178.0232 105 R 4.0123 8.2695 117.4410 59.1756 29.9340 177.2789 106 Q 4.2160 7.6594 116.6497 55.3817 29.3595 175.5598 107 G 3.9055 8.1671 107.0729 47.6631 0.0000 174.6834 108 L 4.5574 7.5226 116.4876 53.7465 42.4330 176.2347 109 A 4.5677 7.3937 119.0911 51.0935 22.4933 175.9066 110 K 4.7232 8.6390 119.5087 54.6210 35.3418 175.9056 111 V 4.3250 8.9223 122.4249 62.5695 32.2245 175.0755 112 A 4.3054 8.5548 129.2088 50.1829 21.2653 175.5363 113 Y 4.2531 7.6286 118.9716 56.6100 39.2021 175.5994 114 V 3.8895 7.7921 123.6164 62.3825 34.2042 174.7384 115 Y 3.8999 7.5986 114.6902 59.0879 34.5856 169.8670 116 K 4.6223 7.4491 113.4967 56.2693 34.4556 178.8254 117 G 4.0597 8.7648 106.6415 45.6550 0.0000 175.0306 118 N 4.8885 7.6899 117.8690 51.7562 37.3950 174.0802 119 N 5.0872 8.0593 114.3977 52.7646 40.7048 176.3553 120 T 3.8515 8.5821 116.7277 67.1794 68.7234 175.0980 121 H 4.8112 7.6286 115.2975 55.8249 29.1682 177.0274 122 E 3.9410 8.1981 122.3644 59.6160 29.3166 178.5431 123 Q 3.9307 8.0197 118.9178 59.0260 29.2139 177.4872 124 L 3.9175 7.9406 120.8689 58.3831 41.9839 178.9370 125 L 3.9840 8.0010 118.6603 57.8709 41.5058 179.6916 126 R 3.9145 8.3776 118.4416 58.8066 29.8904 179.0391 127 K 3.8348 8.4596 119.7704 59.5740 32.2823 178.6405 128 A 3.9671 7.8840 120.9791 55.1435 18.2206 179.2872 129 E 3.8451 8.5701 117.9171 59.3569 29.7919 178.8067 130 A 3.7168 8.1065 121.1200 55.1435 18.3959 179.4036 131 Q 3.8356 8.0107 117.8115 59.2073 29.1429 178.3333 132 A 3.9786 7.9103 121.9104 54.8326 18.4153 179.5831 133 K 3.2712 7.5682 118.1399 59.3050 31.9405 178.9181 134 K 3.9223 8.0424 118.8911 59.3665 32.1454 177.6750 135 E 4.1973 8.0098 115.8287 55.4813 29.9106 176.2843 136 K 4.1281 8.3395 118.2631 55.9399 30.6266 174.6828 137 L 4.4415 8.1259 119.9995 55.6602 44.8372 176.7070 138 N 3.5042 9.3037 122.2901 53.9261 38.0072 176.7597 139 I 3.4413 5.4200 122.7575 63.4198 37.7030 177.2041 140 W 4.7941 8.1019 120.9432 56.3620 29.4362 176.4023 141 S 4.7343 8.1724 119.2737 57.9383 62.6133 173.9597 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 7 L 8.17 4.50 0.00 1.74 1.80 1.12 0.85 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 8 H 8.43 4.92 0.00 3.22 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.49 4.48 0.00 1.56 1.77 0.00 1.38 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.06 1.25 7.81 10 E 9.36 4.97 0.00 2.12 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 2.38 2.22 0.00 11 P 0.00 4.98 0.00 2.10 2.07 0.00 3.88 0.00 0.00 3.71 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 12 A 8.24 4.83 1.29 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 0.00 0.00 0.00 13 T 8.67 4.65 4.28 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 1.23 0.00 0.00 14 L 8.70 4.23 0.00 1.63 1.57 0.91 1.04 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 15 I 8.63 4.39 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.94 0.00 0.00 16 K 7.60 4.60 0.00 1.81 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 A 8.68 4.53 1.25 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 0.00 0.00 18 I 8.25 4.26 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 1.31 0.88 0.90 0.00 0.00 19 D 8.14 4.56 0.00 2.69 2.48 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 20 G 8.80 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 21 D 8.04 4.90 0.00 2.83 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 22 T 7.76 5.26 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 1.27 0.00 0.00 23 V 8.89 4.77 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 0.67 0.00 0.00 0.94 0.00 0.00 24 K 9.23 5.04 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 25 L 9.33 5.36 0.00 1.75 1.65 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.25 4.82 0.00 2.16 1.99 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 2.60 2.56 0.00 27 Y 9.06 5.06 0.00 3.28 3.05 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 0.00 0.00 0.00 28 K 9.44 3.62 0.00 1.48 1.63 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.92 0.21 7.81 29 G 8.56 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 0.00 0.00 0.00 30 Q 7.83 4.84 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 31 P 0.00 4.96 0.00 2.11 2.09 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.28 4.80 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.90 0.00 33 T 8.38 5.04 4.19 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 1.22 0.00 0.00 34 F 9.43 5.15 0.00 2.86 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 35 R 8.82 4.87 0.00 1.94 1.80 0.00 3.33 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 36 L 8.80 4.31 0.00 1.50 1.58 0.97 0.89 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 37 L 8.73 3.83 0.00 1.13 1.21 0.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.65 3.85 0.00 2.01 1.90 0.00 1.62 0.00 0.00 1.99 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 39 V 7.20 4.71 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 0.69 0.00 0.00 0.95 0.00 0.00 40 D 9.09 4.78 0.00 2.65 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 41 T 8.25 4.74 4.22 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 1.18 0.00 0.00 42 P 0.00 4.57 0.00 2.30 1.99 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 43 E 10.01 4.38 0.00 1.90 1.89 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 2.59 2.41 0.00 44 T 8.35 4.74 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 1.26 0.00 0.00 45 K 7.80 4.46 0.00 1.79 1.79 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.36 7.81 46 H 8.65 4.78 0.00 3.18 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.20 0.00 2.22 2.16 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 48 K 8.02 4.24 0.00 1.88 1.79 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.44 7.81 49 K 9.05 4.47 0.00 1.76 1.96 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.32 7.81 50 G 8.24 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 0.00 0.00 0.00 0.00 51 V 8.64 4.34 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 0.81 0.00 0.00 0.99 0.00 0.00 52 E 9.15 4.34 0.00 1.95 1.81 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 2.27 2.21 0.00 53 K 8.29 3.93 0.00 1.59 1.57 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 1.00 7.81 54 Y 8.09 4.48 0.00 3.21 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 55 G 8.29 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 56 P 0.00 4.34 0.00 2.16 2.10 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.22 4.01 0.00 2.35 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 2.57 2.52 0.00 58 A 8.27 4.04 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 59 S 8.11 4.19 0.00 4.09 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 60 A 8.26 4.01 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 61 F 8.52 3.88 0.00 3.31 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 62 T 8.15 3.91 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 1.29 0.00 0.00 63 K 8.01 3.86 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.52 1.52 7.81 64 K 8.23 3.82 0.00 1.83 1.70 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 65 M 7.75 3.83 0.00 1.97 1.68 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 2.47 2.50 0.00 66 V 7.92 3.80 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 0.87 0.00 0.00 1.01 0.00 0.00 67 E 8.14 4.10 0.00 1.96 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 2.33 2.52 0.00 68 N 8.08 4.47 0.00 2.74 2.82 0.00 0.00 7.01 6.73 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 69 A 7.13 4.38 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 70 K 9.01 4.20 0.00 1.74 2.03 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.40 7.81 71 K 8.69 4.69 0.00 1.69 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.39 5.00 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.84 0.00 0.00 73 E 9.08 5.09 0.00 1.91 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 2.20 2.22 0.00 74 V 8.99 4.23 1.76 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 -0.04 0.00 0.00 -0.04 0.00 0.00 75 E 8.86 4.98 0.00 2.22 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 0.00 2.49 2.53 0.00 76 F 8.78 4.54 0.00 3.06 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 77 D 8.43 4.99 0.00 2.72 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 78 K 9.70 4.36 0.00 2.00 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 79 G 7.92 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 0.00 0.00 0.00 0.00 80 Q 8.52 4.10 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 81 R 8.51 4.59 0.00 1.68 1.60 0.00 2.87 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 82 T 7.44 5.05 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 1.17 0.00 0.00 83 D 8.74 4.75 0.00 2.92 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 84 K 8.35 3.80 0.00 1.60 1.80 0.00 1.24 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.89 0.25 7.81 85 Y 8.00 4.36 0.00 3.16 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 86 G 8.29 3.91 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 0.00 0.00 0.00 87 R 8.45 4.34 0.00 2.05 1.81 0.00 3.13 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 88 G 8.53 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 89 L 9.16 5.20 0.00 1.54 1.60 0.98 0.80 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 90 A 8.29 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.52 4.78 0.00 3.10 2.60 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 92 I 8.61 4.75 1.74 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.00 0.84 0.00 0.00 93 Y 8.96 5.12 0.00 2.89 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 94 A 9.09 4.93 1.18 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 0.00 0.00 0.00 95 D 9.88 4.35 0.00 2.78 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 96 G 8.36 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 0.00 0.00 0.00 97 K 8.07 4.56 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 98 M 8.43 4.02 0.00 1.86 1.52 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.43 0.00 99 V 8.79 3.62 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 1.11 0.00 0.00 0.94 0.00 0.00 100 N 8.06 4.26 0.00 2.86 2.90 0.00 0.00 6.74 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 0.00 101 E 8.04 3.87 0.00 1.94 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 2.33 0.00 102 A 8.14 4.11 1.61 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 0.00 0.00 103 L 8.11 3.27 0.00 1.84 1.59 1.00 0.58 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 0.00 104 V 7.44 3.78 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 1.29 0.00 0.00 0.93 0.00 0.00 105 R 8.27 4.01 0.00 1.80 2.06 0.00 3.33 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 106 Q 7.66 4.22 0.00 1.88 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.35 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 107 G 8.17 3.91 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 0.00 0.00 0.00 108 L 7.52 4.56 0.00 1.30 1.50 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.39 4.57 1.12 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 0.00 0.00 110 K 8.64 4.72 0.00 1.63 1.86 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.02 1.09 7.81 111 V 8.92 4.32 1.97 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 0.65 0.00 0.00 0.96 0.00 0.00 112 A 8.55 4.31 1.07 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 0.00 113 Y 7.63 4.25 0.00 2.40 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 0.00 114 V 7.79 3.89 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 0.82 0.00 0.00 0.84 0.00 0.00 115 Y 7.60 3.90 0.00 3.24 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 0.00 116 K 7.45 4.62 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 117 G 8.76 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.69 4.89 0.00 2.74 2.80 0.00 0.00 6.79 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 0.00 119 N 8.06 5.09 0.00 2.77 2.85 0.00 0.00 6.97 7.05 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 0.00 120 T 8.58 3.85 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 0.99 0.00 0.00 121 H 7.63 4.81 0.00 2.85 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.20 3.94 0.00 2.15 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 2.37 2.41 0.00 123 Q 8.02 3.93 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 124 L 7.94 3.92 0.00 1.77 1.81 0.95 0.54 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 0.00 125 L 8.00 3.98 0.00 1.74 1.69 1.03 0.69 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 0.00 126 R 8.38 3.91 0.00 1.97 1.97 0.00 3.30 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 127 K 8.46 3.83 0.00 1.88 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 128 A 7.88 3.97 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 0.00 129 E 8.57 3.85 0.00 2.12 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 0.00 2.16 2.56 0.00 130 A 8.11 3.72 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 0.00 131 Q 8.01 3.84 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 132 A 7.91 3.98 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 0.00 133 K 7.57 3.27 0.00 0.79 1.38 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.01 0.56 7.81 134 K 8.04 3.92 0.00 1.67 1.95 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.01 4.20 0.00 2.10 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 2.31 2.40 0.00 136 K 8.34 4.13 0.00 1.91 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.54 7.81 137 L 8.13 4.44 0.00 1.92 1.55 0.93 0.53 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 0.00 138 N 9.30 3.50 0.00 2.62 1.42 0.00 0.00 6.89 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 0.00 139 I 5.42 3.44 1.33 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.53 0.00 0.00 140 W 8.10 4.79 0.00 3.48 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 0.00 141 S 8.17 4.73 0.00 4.00 4.01 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 0.00 0.00 0.00