NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.7655 8.4449 117.8454 55.3978 30.9397 172.7801 1E H 4.9897 7.9284 113.7929 51.6686 32.5096 171.1106 1F H 4.5529 9.1726 116.8259 56.1118 29.7178 174.3081 1G F 4.7248 8.4485 120.2422 57.8465 39.9499 175.0422 2 N 4.5139 8.2051 117.5834 52.5642 37.9344 174.6954 3 L 4.6225 7.9599 123.5195 52.5769 43.5076 174.9466 4 P 4.6677 0.0000 0.0000 60.8662 32.6473 175.1933 5 P 4.0311 0.0000 0.0000 63.8511 31.0058 172.6304 6 G 3.4480 7.7255 116.3144 44.7841 0.0000 173.3050 7 N 4.5798 7.8588 120.9348 51.5986 39.7612 173.4280 8 Y 5.0329 7.7795 118.1135 57.2857 40.0323 177.2796 9 K 4.0869 8.4289 119.9151 58.7533 32.1815 176.6572 10 K 4.7428 7.5765 114.0024 53.7175 35.7707 173.7152 11 P 4.7278 0.0000 0.0000 63.7764 31.8971 175.3100 12 V 4.6177 9.2557 120.1502 60.7028 35.9543 173.1243 13 L 5.1633 8.7467 119.7722 53.1695 44.5558 176.5178 14 L 5.0151 8.6953 123.6045 53.7472 42.4185 173.9703 15 Y 4.7295 8.9870 125.9275 56.8600 40.3308 173.3714 16 C 4.1802 8.0301 127.8024 57.2513 32.7693 172.9919 17 S 3.8747 8.4121 121.6281 59.5629 62.6593 174.8487 18 N 4.1281 7.7113 116.4643 55.5800 37.7805 177.2211 19 G 3.5309 7.8123 105.8445 44.5722 0.0000 173.3774 20 G 3.1329 7.5741 106.4323 46.6053 0.0000 171.7519 21 H 4.8008 7.1064 114.0491 53.5914 33.7704 173.8568 22 F 5.2988 8.5748 117.9214 55.3588 41.0023 175.4258 23 L 4.4854 8.9508 126.5040 55.6031 43.1298 175.5699 24 R 4.9192 9.2796 126.7525 54.7610 33.2390 174.2957 25 I 4.7033 8.1011 127.1488 58.9473 37.4460 175.3450 26 L 4.0174 8.7485 126.9571 53.8339 42.3344 176.9000 27 P 4.3689 0.0000 0.0000 65.9271 31.2979 177.1276 28 D 4.5261 7.9823 114.3226 53.6952 39.7222 177.0343 29 G 4.3782 8.7013 110.5298 45.4363 0.0000 174.0079 30 T 4.2631 7.7023 117.1861 63.3847 69.1257 173.2965 31 V 4.9095 7.8503 125.1030 61.2344 34.5275 174.6686 32 D 4.5002 8.3603 125.2219 53.4448 44.2847 174.3887 33 G 4.8973 8.5958 104.7533 45.2932 0.0000 172.2361 34 T 4.9001 8.4075 115.0260 60.2399 71.2220 174.0636 35 R 4.3969 8.8001 125.2419 56.3756 30.3986 176.4351 36 D 4.6491 8.2356 120.1860 53.0419 39.9794 176.8676 37 R 3.5114 8.5150 127.3255 57.9111 30.3891 177.0164 38 S 4.5936 8.1496 111.5309 58.1646 63.0820 173.0201 39 D 4.6133 7.7065 121.7930 53.9660 41.4484 176.5837 40 Q 5.0852 8.6049 122.6737 56.4812 28.7724 175.8002 41 H 4.8096 9.3134 114.4929 55.8928 29.6040 174.8584 42 I 4.5722 7.2808 111.4418 60.0391 38.2801 175.5126 43 Q 4.4410 7.7745 122.0531 55.6373 29.7314 174.7988 44 L 4.9047 9.1908 124.3137 52.8025 46.1739 175.4802 45 Q 4.7524 9.4387 124.3655 54.5372 30.8096 174.2173 46 L 5.5127 8.8473 126.8631 53.0715 43.4548 176.4769 47 S 4.4560 8.2464 115.9440 56.3254 66.8330 172.9561 48 A 4.2614 7.8634 125.7617 51.1332 18.6606 176.9872 49 E 3.6903 8.6050 125.6216 59.1381 29.9498 176.4029 50 S 4.4985 7.3393 110.5397 57.0449 65.5601 173.4362 51 V 3.7589 8.3427 113.9209 63.1873 31.5219 177.4656 52 G 3.9215 9.0009 112.0816 45.4481 0.0000 172.1624 53 E 5.1970 8.0307 120.0800 54.8515 32.1784 175.6920 54 V 4.7485 8.9075 116.2432 60.1155 37.1960 173.5428 55 Y 5.5434 8.6814 118.0317 56.6081 42.0784 175.6460 56 I 4.5653 8.5635 121.1066 59.6879 40.6599 174.1384 57 K 4.7271 8.5531 128.6365 54.2206 35.4003 174.8096 58 S 4.8270 8.8628 122.2325 57.8787 62.9501 175.2639 59 T 3.9103 8.2034 117.5010 64.0726 69.2018 175.8442 60 E 4.0036 8.2447 122.8174 58.8745 29.7680 177.1612 61 T 4.2985 7.7744 104.9391 60.6645 70.0613 174.9362 62 G 3.7616 8.1857 110.1418 46.2304 0.0000 173.5750 63 Q 4.6724 7.4135 117.1569 55.2572 30.7065 174.4161 64 Y 4.9048 9.3016 120.2244 56.2104 40.1640 175.1491 65 L 4.4598 9.0261 125.7572 55.2415 43.5555 175.4672 66 A 5.0352 8.3157 124.8081 51.0836 23.1976 174.5313 67 M 5.3317 8.4660 119.2121 53.7512 34.6813 175.3494 68 D 5.0319 9.2236 125.8415 52.6694 40.7201 177.1784 69 T 3.7795 8.6232 114.3015 64.5187 67.2586 173.8399 70 D 4.6802 9.2997 119.5162 54.6744 41.8842 177.2880 71 G 3.2100 9.4115 109.6714 44.6603 0.0000 172.7392 72 L 4.7118 7.7255 119.9893 53.2336 43.0001 175.8856 73 L 5.1594 8.3564 123.3534 55.0989 42.8732 175.5194 74 Y 4.9418 8.5664 119.0123 56.0094 41.8555 173.5834 75 G 4.1440 9.1671 108.7890 45.8128 0.0000 173.2157 76 S 5.0849 9.3533 119.1619 56.5986 65.4266 174.2817 77 Q 4.6990 9.0368 124.0240 55.7861 29.2418 175.3199 78 T 4.6044 7.6548 108.7590 59.0487 70.9573 173.2471 79 P 3.8421 0.0000 0.0000 61.5195 29.8687 174.9908 80 N 4.7566 7.5776 125.8942 51.4724 39.8351 176.0541 81 E 4.1316 8.5245 114.5422 58.0037 29.6116 177.0163 82 E 4.3073 9.3723 120.4679 56.5613 29.8724 177.0903 83 I 4.4353 6.9969 111.5487 60.2349 38.6725 175.8003 84 L 4.6372 7.4419 122.9394 54.7493 42.7985 175.8030 85 F 5.2784 9.0088 121.4923 55.6414 43.5157 174.4247 86 L 4.7633 9.3089 123.6199 53.7901 42.2423 175.4761 87 E 4.4109 9.1570 127.0155 55.7613 30.4601 176.2198 88 R 4.7783 8.6636 125.2467 54.0670 34.7037 174.6006 89 L 4.6200 8.5170 125.6565 55.5860 43.0855 175.7802 90 E 4.6360 9.2570 124.6792 55.4473 33.3200 174.7630 91 E 3.9497 9.8043 123.0798 57.3644 27.2859 176.2649 92 N 4.4253 8.5402 113.3093 54.1401 36.7729 174.6477 93 H 4.7092 7.6716 110.4332 55.7598 32.2035 173.1315 94 Y 4.8692 7.9724 117.0246 57.1078 40.3672 174.1181 95 N 5.6151 9.4423 117.9445 51.8548 41.6665 174.3658 96 T 5.3713 8.8914 112.3068 59.0308 72.9760 172.2974 97 Y 5.1388 8.6967 119.3632 56.4921 41.6529 174.2361 98 I 4.8409 8.5246 125.4865 59.0977 39.7139 175.0674 99 S 3.9554 9.0805 122.7075 58.8601 62.3883 173.9678 100 K 3.9865 8.8142 129.0683 59.4793 32.2414 178.6242 101 K 3.7519 7.9553 117.9234 59.1512 32.2454 176.7139 102 H 4.9646 8.2793 114.1024 54.4113 29.4382 176.4889 103 A 3.8844 7.9519 125.5203 55.3640 18.2406 180.5993 104 E 3.7906 8.0251 111.9728 57.8746 29.5206 177.8332 105 K 4.2701 7.4830 117.6979 55.3371 33.4731 175.3509 106 N 3.7198 7.9545 115.8723 53.9691 36.1908 176.0219 107 W 4.8840 7.5431 118.4338 55.8210 30.3198 177.8114 108 F 5.8796 8.8898 123.9948 55.6327 40.9974 175.8189 109 V 4.1133 8.6428 120.2422 62.4618 32.3685 174.9314 110 G 4.9593 8.7260 113.9868 44.3930 0.0000 170.6812 111 L 5.3134 8.3124 121.3462 52.4711 44.5873 176.9681 112 K 4.2353 9.2749 123.1794 55.5038 32.8979 178.2527 113 K 3.8597 8.5500 120.2554 59.5475 31.9411 177.9114 114 N 4.4854 8.0262 113.4694 53.2685 37.9277 175.7691 115 G 3.5938 8.6691 109.3395 45.1193 0.0000 173.3516 116 S 4.8252 8.2133 114.7033 56.4793 64.8202 173.5459 117 V 4.2224 8.0153 121.9802 62.8870 32.1345 175.3097 118 K 4.3711 8.7894 127.9760 55.2275 33.0947 176.9211 119 R 3.7257 8.7165 125.6483 56.3262 30.9879 176.7897 120 G 3.2192 8.7414 113.9910 48.3049 0.0000 173.6999 121 P 4.3391 0.0000 0.0000 64.9941 31.6689 178.2039 122 R 4.1085 7.7921 116.3376 58.6581 30.2275 177.1862 123 T 4.8392 8.1527 107.3372 60.9303 69.4818 172.8320 124 H 4.8751 8.0015 116.0307 55.2211 30.1628 173.2276 125 Y 3.9296 8.8133 118.1120 59.9870 38.0256 177.1900 126 G 4.0868 9.1158 111.8225 45.3377 0.0000 173.6209 127 Q 4.3468 7.4629 119.0334 54.6401 29.9583 177.2727 128 K 3.8400 8.3909 120.3832 58.8684 32.7670 179.2247 129 A 4.2804 8.0967 121.2952 53.9854 18.6613 178.4112 130 I 4.4804 7.2405 106.9968 60.2447 38.3728 174.7714 131 L 4.4094 7.3514 122.9595 53.8898 42.9236 175.7684 132 F 5.2757 9.1550 121.4513 55.7027 44.0904 174.0289 133 L 5.1093 9.1870 122.7996 52.9998 45.2605 173.5343 134 P 5.4596 0.0000 0.0000 62.5134 31.8638 175.5848 135 L 4.7609 8.5716 124.9458 52.2537 43.9674 174.7943 136 P 4.6399 0.0000 0.0000 63.1047 32.3977 176.8837 137 V 3.8844 8.1312 113.1617 61.6631 31.7477 176.2673 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 1D H 8.44 4.77 0.00 3.25 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.93 4.99 0.00 3.25 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 9.17 4.55 0.00 3.35 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.45 4.72 0.00 2.91 3.07 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 2 N 8.21 4.51 0.00 3.00 2.82 0.00 0.00 6.96 6.74 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 3 L 7.96 4.62 0.00 1.49 1.42 0.62 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.67 0.00 2.20 2.15 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 5 P 0.00 4.03 0.00 2.14 2.22 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 6 G 7.73 3.45 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 0.00 7 N 7.86 4.58 0.00 2.62 2.68 0.00 0.00 6.95 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 8 Y 7.78 5.03 0.00 2.99 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 9 K 8.43 4.09 0.00 1.75 1.91 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 10 K 7.58 4.74 0.00 1.80 1.73 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81 11 P 0.00 4.73 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 12 V 9.26 4.62 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 0.94 0.00 0.00 1.03 0.00 0.00 13 L 8.75 5.16 0.00 1.81 1.77 0.58 0.45 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 14 L 8.70 5.02 0.00 1.65 1.71 0.49 0.87 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 15 Y 8.99 4.73 0.00 3.25 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 16 C 8.03 4.18 0.00 2.21 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 17 S 8.41 3.87 0.00 3.21 3.27 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 18 N 7.71 4.13 0.00 2.77 2.81 0.00 0.00 5.77 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 19 G 7.81 3.53 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 0.00 20 G 7.57 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 0.00 0.00 0.00 21 H 7.11 4.80 0.00 2.97 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.57 5.30 0.00 3.19 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 23 L 8.95 4.49 0.00 1.86 1.55 0.89 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.28 4.92 0.00 1.94 2.03 0.00 3.35 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 25 I 8.10 4.70 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.90 0.00 0.00 26 L 8.75 4.02 0.00 1.79 1.68 0.91 0.80 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 27 P 0.00 4.37 0.00 2.01 2.15 0.00 3.54 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 28 D 7.98 4.53 0.00 2.79 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 29 G 8.70 4.38 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 30 T 7.70 4.26 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 1.22 0.00 0.00 31 V 7.85 4.91 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 0.89 0.00 0.00 0.99 0.00 0.00 32 D 8.36 4.50 0.00 2.88 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 33 G 8.60 4.90 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 0.00 0.00 0.00 34 T 8.41 4.90 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 1.34 0.00 0.00 35 R 8.80 4.40 0.00 1.92 2.02 0.00 3.25 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 36 D 8.24 4.65 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 37 R 8.52 3.51 0.00 1.79 1.84 0.00 3.35 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.00 38 S 8.15 4.59 0.00 3.98 3.89 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 39 D 7.71 4.61 0.00 2.87 2.65 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 0.00 0.00 0.00 0.00 40 Q 8.60 5.09 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 41 H 9.31 4.81 0.00 3.39 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.28 4.57 1.96 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 1.06 0.00 0.00 43 Q 7.77 4.44 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 9.19 4.90 0.00 1.47 1.44 0.82 0.50 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 45 Q 9.44 4.75 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.85 5.51 0.00 1.79 1.72 0.92 1.07 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 47 S 8.25 4.46 0.00 3.76 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 48 A 7.86 4.26 1.02 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 49 E 8.61 3.69 0.00 1.16 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 2.26 2.27 0.00 50 S 7.34 4.50 0.00 4.01 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 51 V 8.34 3.76 2.32 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 0.80 0.00 0.00 1.12 0.00 0.00 52 G 9.00 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 0.00 0.00 0.00 53 E 8.03 5.20 0.00 2.01 1.79 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 2.26 2.30 0.00 54 V 8.91 4.75 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 1.23 0.00 0.00 55 Y 8.68 5.54 0.00 2.95 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 56 I 8.56 4.57 1.71 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.56 0.70 0.00 0.00 57 K 8.55 4.73 0.00 1.16 1.38 0.00 1.43 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.03 0.78 7.81 58 S 8.86 4.83 0.00 3.83 3.64 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 59 T 8.20 3.91 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 60 E 8.24 4.00 0.00 1.91 1.90 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 2.02 2.25 0.00 61 T 7.77 4.30 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 1.27 0.00 0.00 62 G 8.19 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 63 Q 7.41 4.67 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 64 Y 9.30 4.90 0.00 2.89 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 65 L 9.03 4.46 0.00 1.59 1.42 0.79 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.32 5.04 0.59 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 0.00 0.00 67 M 8.47 5.33 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 68 D 9.22 5.03 0.00 3.01 2.87 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 69 T 8.62 3.78 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 1.27 0.00 0.00 70 D 9.30 4.68 0.00 2.83 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 71 G 9.41 3.21 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 0.00 0.00 0.00 0.00 72 L 7.73 4.71 0.00 2.04 1.63 0.90 0.61 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 73 L 8.36 5.16 0.00 1.56 1.61 0.89 1.01 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 74 Y 8.57 4.94 0.00 3.02 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 75 G 9.17 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 76 S 9.35 5.08 0.00 3.84 3.68 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 77 Q 9.04 4.70 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.45 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 78 T 7.65 4.60 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 1.23 0.00 0.00 79 P 0.00 3.84 0.00 1.85 1.56 0.00 3.65 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 1.83 1.80 0.00 80 N 7.58 4.76 0.00 2.93 2.98 0.00 0.00 5.88 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 81 E 8.52 4.13 0.00 2.04 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 2.25 2.29 0.00 82 E 9.37 4.31 0.00 2.21 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 0.00 2.30 2.32 0.00 83 I 7.00 4.44 1.80 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.04 0.68 0.00 0.00 84 L 7.44 4.64 0.00 1.55 1.62 0.94 1.27 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 85 F 9.01 5.28 0.00 3.11 3.10 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 86 L 9.31 4.76 0.00 1.58 1.65 0.90 0.85 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 87 E 9.16 4.41 0.00 2.15 1.93 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 2.22 1.92 0.00 88 R 8.66 4.78 0.00 1.79 1.85 0.00 3.05 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 89 L 8.52 4.62 0.00 1.75 1.77 1.06 0.65 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 90 E 9.26 4.64 0.00 2.18 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 0.00 2.28 2.44 0.00 91 E 9.80 3.95 0.00 2.33 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 2.41 2.49 0.00 92 N 8.54 4.43 0.00 2.44 2.72 0.00 0.00 6.87 8.16 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 93 H 7.67 4.71 0.00 2.59 2.96 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.97 4.87 0.00 3.19 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 95 N 9.44 5.62 0.00 2.90 2.55 0.00 0.00 6.95 7.54 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 96 T 8.89 5.37 4.48 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 1.27 0.00 0.00 97 Y 8.70 5.14 0.00 2.77 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 98 I 8.52 4.84 1.79 0.00 0.00 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 0.26 0.78 0.68 0.00 0.00 99 S 9.08 3.96 0.00 4.04 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 0.00 100 K 8.81 3.99 0.00 1.79 1.76 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.35 7.81 101 K 7.96 3.75 0.00 1.60 1.62 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 1.30 7.81 102 H 8.28 4.96 0.00 3.20 2.39 0.00 5.70 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 0.00 103 A 7.95 3.88 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 0.00 104 E 8.03 3.79 0.00 1.84 1.93 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 2.16 2.13 0.00 105 K 7.48 4.27 0.00 0.92 1.26 0.00 1.11 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.95 7.81 106 N 7.95 3.72 0.00 2.86 2.86 0.00 0.00 6.88 7.47 0.00 0.00 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 W 7.54 4.88 0.00 3.32 3.07 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 0.00 108 F 8.89 5.88 0.00 2.90 3.17 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 0.00 109 V 8.64 4.11 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 0.60 0.00 0.00 0.65 0.00 0.00 110 G 8.73 4.96 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 0.00 111 L 8.31 5.31 0.00 1.40 1.50 1.00 0.96 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 0.00 112 K 9.27 4.24 0.00 1.97 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.36 7.81 113 K 8.55 3.86 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.38 7.81 114 N 8.03 4.49 0.00 2.79 2.91 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.67 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 0.00 0.00 0.00 116 S 8.21 4.83 0.00 3.97 3.95 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 0.00 0.00 0.00 117 V 8.02 4.22 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 0.84 0.00 0.00 0.98 0.00 0.00 118 K 8.79 4.37 0.00 1.63 1.69 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.34 7.81 119 R 8.72 3.73 0.00 1.78 1.63 0.00 3.19 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 120 G 8.74 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 0.00 0.00 0.00 121 P 0.00 4.34 0.00 1.95 2.27 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.06 0.00 122 R 7.79 4.11 0.00 1.86 1.96 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 123 T 8.15 4.84 4.34 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 1.35 0.00 0.00 124 H 8.00 4.88 0.00 3.45 3.60 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.81 3.93 0.00 3.19 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 0.00 126 G 9.12 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 0.00 0.00 0.00 0.00 127 Q 7.46 4.35 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 128 K 8.39 3.84 0.00 1.66 1.71 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.34 7.81 129 A 8.10 4.28 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 0.00 130 I 7.24 4.48 1.57 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 1.25 1.00 0.45 0.00 0.00 131 L 7.35 4.41 0.00 0.99 0.68 0.47 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.16 5.28 0.00 3.41 3.10 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 0.00 133 L 9.19 5.11 0.00 2.15 1.82 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.46 0.00 2.21 2.23 0.00 3.56 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 135 L 8.57 4.76 0.00 1.77 1.67 0.91 1.08 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 0.00 136 P 0.00 4.64 0.00 1.93 2.00 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 137 V 8.13 3.88 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 0.71 0.00 0.00 0.97 0.00 0.00