NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.4166 8.4449 117.7765 55.2754 30.6939 173.0786 6 Y 4.0648 7.0192 117.5984 55.5721 37.8473 173.5707 7 K 4.2725 8.6013 125.6387 55.4268 33.9879 176.2714 8 L 4.6761 8.2787 124.7077 53.2695 44.8332 175.3833 9 V 4.1485 8.8337 127.1417 60.5558 31.5202 173.7768 10 P 4.6463 0.0000 0.0000 62.3805 32.1414 175.8773 11 Q 4.5219 8.3983 118.2935 55.5579 30.1669 174.7462 12 I 4.3761 8.0842 116.0816 63.1044 39.6787 176.2703 13 D 4.5963 7.8579 120.3673 54.0017 41.3073 177.8419 14 T 3.9854 8.5423 113.4734 64.2810 68.5480 175.1721 15 R 4.2773 7.9612 117.0506 57.1250 30.3757 176.5687 16 D 4.8315 8.0429 119.4685 54.8767 41.1861 177.7233 17 C 4.2831 8.1817 123.0012 62.3940 31.6027 175.5836 18 G 3.4770 7.9831 108.1564 46.9137 0.0000 173.6360 19 P 4.2327 0.0000 0.0000 64.8703 31.3248 178.6012 20 A 4.0034 8.1167 119.4458 55.4269 18.4048 180.1906 21 V 3.6011 7.8749 110.9399 64.2938 31.4894 178.6703 22 L 3.8556 7.8837 119.9294 58.0681 41.9499 178.8766 23 A 4.1366 8.2955 120.9299 55.1704 18.0500 179.7986 24 S 4.1233 8.0081 112.8610 61.8449 63.4140 176.8026 25 V 3.7093 7.8590 120.5824 65.9683 31.3026 177.7720 26 A 4.2905 8.2484 120.6735 55.3034 18.2644 179.5461 27 K 4.6538 8.3931 119.4326 59.3985 31.9981 178.5474 28 H 4.1006 7.9300 118.1442 59.1857 29.8614 175.1522 29 Y 4.6592 7.9296 114.7084 58.0224 37.6071 176.4878 30 G 4.0157 8.1978 108.7482 45.4145 0.0000 174.0865 31 S 4.5719 8.1973 116.7101 56.7796 64.3924 172.8678 32 N 4.9541 8.2686 122.0750 51.6705 39.8566 173.5975 33 Y 4.8594 8.3196 120.8421 55.4768 41.3980 176.6071 34 S 4.4998 8.6164 118.7582 58.1626 65.4021 175.5472 35 I 3.7673 8.3714 123.8459 64.5923 36.6955 178.5159 36 A 4.0612 8.0873 121.1769 55.2846 18.2311 178.9760 37 Y 4.1475 8.0942 117.7121 61.0434 38.9510 178.1619 38 L 3.8641 8.1743 119.8217 57.3581 41.6515 179.4374 39 R 3.8354 8.3702 119.5274 59.3055 30.0306 178.2501 40 E 3.8854 7.8419 118.8955 59.3186 29.4748 178.8051 41 L 3.9069 7.5081 118.0565 57.0107 41.9923 178.6013 42 S 4.5747 8.1395 112.3374 57.1416 63.2179 174.4050 43 K 3.7483 7.6564 119.9422 57.7314 29.9759 175.7738 44 T 4.1601 7.8877 115.6964 63.6916 69.1739 173.9009 45 N 5.2666 8.3982 124.6103 50.8046 40.0702 174.2886 46 K 3.8799 8.8497 117.7261 60.3333 32.1593 178.8750 47 Q 4.1174 7.9342 115.7704 56.6691 29.5932 175.0514 48 G 4.0044 7.5157 103.4535 44.1141 0.0000 172.3888 49 T 4.8107 8.6907 116.7414 61.8578 71.3906 173.9983 50 T 4.4230 8.1476 115.6662 60.6630 71.8106 175.8307 51 A 4.0024 8.4549 122.9932 55.1707 18.3351 179.7159 52 L 4.0107 7.9600 118.6614 58.1884 42.2574 179.2599 53 G 3.6747 7.9556 107.0447 47.2299 0.0000 175.7533 54 I 3.5879 7.5578 122.1157 63.9992 37.1322 178.6810 55 V 3.5491 7.7062 118.9838 66.0679 31.4562 177.8489 56 E 3.9405 8.5671 118.4674 59.3348 29.4295 179.2701 57 A 3.8673 8.0247 120.4606 55.1076 18.4823 179.4345 58 A 4.0209 8.1297 119.4124 55.4388 18.4251 180.0708 59 K 4.3209 8.1171 118.2189 59.0458 31.8931 179.7688 60 K 4.1185 7.7956 117.6259 58.7282 32.0433 178.4635 61 L 4.3705 7.5869 116.9257 54.6985 41.8080 177.2897 62 G 3.7767 8.1425 107.9502 45.6325 0.0000 172.5567 63 F 4.9087 8.0884 117.7685 55.2905 41.7691 174.6995 64 E 4.6734 9.8433 125.7286 55.9816 30.5418 175.4092 65 T 5.5035 8.5304 116.4349 60.1624 72.3094 173.3286 66 R 4.7607 8.7823 118.1717 55.1837 33.2703 173.7486 67 S 5.4161 8.8229 118.4091 56.7982 65.2890 173.3308 68 I 4.7584 9.0273 117.4606 59.0719 41.5632 174.2651 69 K 4.8317 8.6402 122.0446 55.0354 33.4241 175.2984 70 A 4.9542 8.9116 127.6007 50.0966 22.8478 173.2041 71 D 4.7473 8.2723 115.5972 51.3114 42.9191 175.9888 72 M 4.8504 8.9215 117.5132 58.2739 31.7144 178.5123 73 T 4.1582 8.5840 110.1873 63.8288 68.9168 175.9552 74 L 3.8327 7.9522 124.1338 58.3725 41.7905 178.2964 75 F 4.7446 7.7687 114.3129 58.8629 39.1026 176.1512 76 D 5.0695 8.1440 117.9731 53.3810 41.4796 175.5441 77 Y 4.5617 7.7204 122.2935 56.2459 38.2897 175.6889 78 N 4.3875 8.5809 125.8531 55.8392 38.8028 175.7953 79 D 4.5035 6.4938 116.0202 53.4959 41.0582 176.1183 80 L 4.0249 7.3620 122.7711 55.3226 42.4301 176.2806 81 T 4.5177 8.3593 116.1228 60.6838 69.9437 173.5033 82 Y 5.1955 8.6474 123.9060 55.7394 40.5639 173.4982 83 P 5.4926 0.0000 0.0000 61.4620 33.8709 173.9309 84 F 4.8876 7.6649 113.8298 55.8529 41.8399 172.6765 85 I 4.9093 8.6713 119.7045 59.8564 39.4792 175.6950 86 V 5.2830 8.7113 118.0444 60.0159 36.3576 173.9070 87 H 5.0563 9.1046 123.2335 55.0856 31.0753 174.2423 88 V 4.7557 8.1629 118.6025 59.4821 35.3671 174.6601 89 I 4.4039 8.4149 126.1977 60.0041 38.3029 175.7890 90 K 4.3290 8.3480 127.0887 54.9679 34.2141 176.7827 91 G 3.6872 8.1300 116.4155 47.0672 0.0000 173.8451 92 K 4.1524 8.6658 123.9452 56.4044 32.2705 177.0163 93 R 4.1253 8.0048 119.9809 55.9378 28.7820 176.8635 94 L 4.4219 8.2590 122.1648 55.2467 42.6269 177.1166 95 Q 4.4775 7.6085 116.8483 55.4222 29.7625 174.1046 96 H 4.9745 7.4275 114.8806 54.7960 32.9020 173.4151 97 Y 5.2459 8.1424 119.8603 56.6796 42.3320 173.7084 98 Y 5.3056 8.8467 117.7910 56.4809 42.7626 174.5332 99 V 4.4687 8.6087 121.1104 61.2487 34.2499 174.5751 100 V 3.9976 8.0382 127.5485 61.4616 32.5719 175.4350 101 Y 4.2101 8.2511 126.2199 58.7105 39.2333 175.6924 102 G 2.8313 6.5178 103.4896 45.9908 0.0000 171.6568 103 S 4.9871 8.0897 113.0428 56.7951 66.3855 173.9485 104 Q 4.3021 9.0446 123.9402 55.9592 32.3291 173.8649 105 N 4.4048 8.4220 124.8363 55.0002 36.4904 174.5673 106 N 4.9066 8.7044 124.4461 54.3396 39.1384 173.2196 107 Q 5.0444 7.8001 113.7730 53.5536 33.5072 174.1295 108 L 4.7935 8.7588 120.5561 52.9565 45.4369 175.7835 109 I 4.5591 8.1187 123.7097 59.9297 38.5070 174.9544 110 I 4.6883 8.5968 120.9711 58.7262 41.3878 174.9309 111 G 4.3527 8.9277 110.3729 44.7431 0.0000 171.5043 112 D 5.2643 8.6389 127.7887 51.6168 42.2429 175.5096 113 P 4.2383 0.0000 0.0000 65.1459 31.8549 175.7125 114 D 4.6138 8.6463 118.7007 53.8774 41.0934 175.3541 115 P 4.3508 0.0000 0.0000 64.9293 31.3495 176.9353 116 S 4.5428 8.5576 112.9425 58.4535 63.4653 173.7723 117 V 4.1598 7.5892 118.1840 64.1265 34.2119 177.1664 118 K 3.7651 7.6177 119.4082 56.6550 30.3566 175.6631 119 V 4.3670 8.3296 126.7262 63.9511 32.0528 175.2749 120 T 4.5817 8.7454 121.3462 61.1585 71.5144 172.0466 121 R 4.7813 8.2985 123.3052 55.3061 31.7461 175.9198 122 M 4.8706 8.8256 122.5959 53.3403 36.0097 174.9596 123 S 4.6070 8.6712 119.9010 58.0581 64.0818 175.4333 124 K 3.9923 8.7140 122.2515 59.3881 31.6756 179.5527 125 E 3.9638 8.1337 119.3688 59.2390 29.3307 178.5988 126 R 3.9042 8.0250 118.7083 59.4008 30.1076 178.0968 127 F 4.1942 8.3125 120.3856 61.5574 39.1964 176.6910 128 Q 4.2076 8.4342 117.9693 59.6495 28.8312 178.4246 129 S 4.2760 7.8158 114.8716 61.1009 63.1332 175.7052 130 E 4.2399 7.7455 120.3358 56.5480 29.6990 176.5285 131 W 4.6331 7.5466 129.8342 57.4248 30.9808 176.0345 132 T 3.8300 8.3328 115.9227 62.6230 68.8407 175.6013 133 G 2.3801 6.2501 110.9577 44.1786 0.0000 172.7851 134 L 4.7153 7.4833 122.6622 54.9588 43.2581 175.5943 135 A 5.4790 9.4582 127.6002 50.3409 22.7844 174.5040 136 I 4.9147 9.2000 122.9756 59.6208 40.1715 174.5735 137 F 5.0723 9.3453 126.4219 55.7409 41.1677 174.9941 138 L 5.4657 8.6837 121.7677 53.2183 45.2095 175.7755 139 A 4.5100 8.9144 122.3860 49.8765 23.1284 174.0004 140 P 4.4165 0.0000 0.0000 62.4115 32.0621 176.6889 141 Q 4.1242 8.0343 121.9361 56.2841 28.7942 175.4784 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 5 H 8.44 4.42 0.00 2.12 2.63 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.02 4.06 0.00 2.48 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 7 K 8.60 4.27 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 8 L 8.28 4.68 0.00 1.69 1.54 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.83 4.15 2.29 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 0.91 0.00 0.00 0.99 0.00 0.00 10 P 0.00 4.65 0.00 2.25 2.06 0.00 3.84 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 2.01 1.97 0.00 11 Q 8.40 4.52 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 12 I 8.08 4.38 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.93 0.00 0.00 13 D 7.86 4.60 0.00 2.99 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 14 T 8.54 3.99 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 1.24 0.00 0.00 15 R 7.96 4.28 0.00 2.19 2.23 0.00 2.97 0.00 0.00 3.55 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 16 D 8.04 4.83 0.00 2.91 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 17 C 8.18 4.28 0.00 3.03 3.04 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 18 G 7.98 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 0.00 0.00 0.00 19 P 0.00 4.23 0.00 2.18 2.13 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 20 A 8.12 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.60 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 0.95 0.00 0.00 0.89 0.00 0.00 22 L 7.88 3.86 0.00 1.68 1.76 0.77 0.88 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 23 A 8.30 4.14 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 24 S 8.01 4.12 0.00 4.07 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 0.00 25 V 7.86 3.71 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 1.06 0.00 0.00 0.91 0.00 0.00 26 A 8.25 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.39 4.65 0.00 2.08 2.05 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 28 H 7.93 4.10 0.00 3.15 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.93 4.66 0.00 3.53 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 30 G 8.20 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 0.00 0.00 0.00 31 S 8.20 4.57 0.00 4.37 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 32 N 8.27 4.95 0.00 2.53 2.66 0.00 0.00 6.83 7.46 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 33 Y 8.32 4.86 0.00 3.10 3.06 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 34 S 8.62 4.50 0.00 4.13 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 35 I 8.37 3.77 1.92 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 1.62 0.68 0.97 0.00 0.00 36 A 8.09 4.06 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 37 Y 8.09 4.15 0.00 3.13 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 38 L 8.17 3.86 0.00 1.78 1.66 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.37 3.84 0.00 2.00 2.10 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 40 E 7.84 3.89 0.00 2.09 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 0.00 2.28 2.31 0.00 41 L 7.51 3.91 0.00 1.39 1.48 0.21 0.35 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 42 S 8.14 4.57 0.00 4.02 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 43 K 7.66 3.75 0.00 1.90 1.91 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 44 T 7.89 4.16 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 1.26 0.00 0.00 45 N 8.40 5.27 0.00 2.93 2.94 0.00 0.00 6.24 6.86 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 46 K 8.85 3.88 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.49 7.81 47 Q 7.93 4.12 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 48 G 7.52 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 49 T 8.69 4.81 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 1.14 0.00 0.00 50 T 8.15 4.42 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 1.23 0.00 0.00 51 A 8.45 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.01 0.00 1.69 1.67 0.92 1.05 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 53 G 7.96 3.67 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 0.00 0.00 0.00 54 I 7.56 3.59 1.83 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 1.11 0.41 0.74 0.00 0.00 55 V 7.71 3.55 2.21 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 1.04 0.00 0.00 0.95 0.00 0.00 56 E 8.57 3.94 0.00 2.11 1.95 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 2.32 2.53 0.00 57 A 8.02 3.87 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 58 A 8.13 4.02 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 59 K 8.12 4.32 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 60 K 7.80 4.12 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.67 7.81 61 L 7.59 4.37 0.00 2.17 1.87 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.14 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 0.00 0.00 0.00 63 F 8.09 4.91 0.00 3.20 2.93 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 64 E 9.84 4.67 0.00 1.96 1.95 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 2.32 2.28 0.00 65 T 8.53 5.50 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 1.31 0.00 0.00 66 R 8.78 4.76 0.00 1.91 2.04 0.00 2.63 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 67 S 8.82 5.42 0.00 3.78 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 9.03 4.76 1.88 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 1.45 0.98 0.89 0.00 0.00 69 K 8.64 4.83 0.00 1.58 1.67 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.31 7.81 70 A 8.91 4.95 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 71 D 8.27 4.75 0.00 2.91 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 72 M 8.92 4.85 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 3.00 0.00 73 T 8.58 4.16 4.30 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 1.29 0.00 0.00 74 L 7.95 3.83 0.00 1.87 1.36 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.77 4.74 0.00 3.26 3.19 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 76 D 8.14 5.07 0.00 2.89 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 77 Y 7.72 4.56 0.00 2.95 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 78 N 8.58 4.39 0.00 2.63 2.81 0.00 0.00 7.14 8.06 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 79 D 6.49 4.50 0.00 1.64 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 0.00 0.00 0.00 0.00 80 L 7.36 4.02 0.00 1.84 1.53 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.36 4.52 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 1.33 0.00 0.00 82 Y 8.65 5.20 0.00 2.99 2.99 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 83 P 0.00 5.49 0.00 1.82 2.04 0.00 3.17 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 84 F 7.66 4.89 0.00 2.54 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 85 I 8.67 4.91 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.92 0.00 0.00 86 V 8.71 5.28 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 0.91 0.00 0.00 1.10 0.00 0.00 87 H 9.10 5.06 0.00 3.33 3.21 0.00 5.54 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.16 4.76 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 0.24 0.00 0.00 0.07 0.00 0.00 89 I 8.41 4.40 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.83 0.00 0.00 90 K 8.35 4.33 0.00 1.62 1.65 0.00 1.89 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.18 7.81 91 G 8.13 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 92 K 8.67 4.15 0.00 1.75 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 93 R 8.00 4.13 0.00 2.06 1.89 0.00 3.09 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 94 L 8.26 4.42 0.00 1.62 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.61 4.48 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 96 H 7.43 4.97 0.00 3.24 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.14 5.25 0.00 2.79 2.86 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 98 Y 8.85 5.31 0.00 2.86 2.62 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 99 V 8.61 4.47 1.58 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 0.16 0.00 0.00 0.85 0.00 0.00 100 V 8.04 4.00 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 0.65 0.00 0.00 0.45 0.00 0.00 101 Y 8.25 4.21 0.00 2.10 2.28 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 0.00 102 G 6.52 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 0.00 0.00 0.00 103 S 8.09 4.99 0.00 3.76 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 0.00 104 Q 9.04 4.30 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.63 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 105 N 8.42 4.40 0.00 2.88 2.14 0.00 0.00 7.01 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 0.00 106 N 8.70 4.91 0.00 2.78 2.73 0.00 0.00 6.66 7.16 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 0.00 107 Q 7.80 5.04 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.50 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 108 L 8.76 4.79 0.00 0.96 0.87 -0.78 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.12 4.56 1.38 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.38 0.00 0.00 110 I 8.60 4.69 1.48 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.53 0.00 0.00 111 G 8.93 4.35 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 0.00 112 D 8.64 5.26 0.00 2.35 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 0.00 113 P 0.00 4.24 0.00 2.42 2.16 0.00 3.86 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 114 D 8.65 4.61 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 0.00 115 P 0.00 4.35 0.00 2.23 2.19 0.00 3.85 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 116 S 8.56 4.54 0.00 3.98 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 0.00 117 V 7.59 4.16 2.09 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 0.76 0.00 0.00 0.99 0.00 0.00 118 K 7.62 3.77 0.00 2.00 1.57 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 119 V 8.33 4.37 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 0.61 0.00 0.00 0.94 0.00 0.00 120 T 8.75 4.58 4.17 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 0.00 0.00 0.00 1.07 0.00 0.00 121 R 8.30 4.78 0.00 1.66 1.74 0.00 3.16 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 122 M 8.83 4.87 0.00 1.90 1.73 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 123 S 8.67 4.61 0.00 4.04 3.97 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 0.00 124 K 8.71 3.99 0.00 1.85 1.96 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.47 7.81 125 E 8.13 3.96 0.00 2.11 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 2.41 2.47 0.00 126 R 8.02 3.90 0.00 2.02 2.13 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 127 F 8.31 4.19 0.00 3.14 3.18 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 0.00 128 Q 8.43 4.21 0.00 2.44 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 129 S 7.82 4.28 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.75 4.24 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 131 W 7.55 4.63 0.00 2.15 2.79 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 0.00 132 T 8.33 3.83 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 0.99 0.00 0.00 133 G 6.25 2.38 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 0.00 134 L 7.48 4.72 0.00 1.87 1.70 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 A 9.46 5.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 9.20 4.91 1.88 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 1.29 0.93 0.93 0.00 0.00 137 F 9.35 5.07 0.00 2.92 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 0.00 138 L 8.68 5.47 0.00 1.46 1.41 0.65 0.73 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 0.00 139 A 8.91 4.51 1.23 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 0.00 140 P 0.00 4.42 0.00 1.81 1.78 0.00 3.35 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 141 Q 8.03 4.12 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00