NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3773 8.2893 120.3493 55.4842 32.0953 173.8485 2 N 4.4912 8.0471 120.6752 50.3582 37.9887 171.4078 3 E 3.9862 9.3400 125.3769 56.9176 29.2342 178.3311 4 L 4.4076 8.1406 124.5099 53.3923 40.6443 175.9693 5 E 4.5207 8.0207 123.2932 53.5443 32.0140 175.8656 6 G 3.7810 8.1594 112.7830 45.2931 0.0000 172.1302 7 Y 4.7597 8.9265 117.2351 56.0933 40.2089 176.8380 8 V 4.0616 8.5805 123.7437 63.5595 32.5272 177.5965 9 T 4.1979 8.1724 117.2795 66.1037 68.7910 174.8954 10 K 4.4069 7.9425 120.0277 56.6200 32.5618 177.2784 11 A 4.3002 8.1592 123.7564 53.6131 19.3283 182.1337 12 Q 3.5598 7.7057 111.6032 58.0471 31.5271 180.1573 13 S 4.1238 8.0118 110.8761 59.9413 63.1643 174.3081 14 F 4.2508 8.6263 119.8724 56.4938 39.8571 174.5197 15 R 4.5715 8.3633 121.8037 54.7182 32.2485 174.3723 16 F 5.6600 8.7350 123.0812 55.7770 43.9236 173.5405 17 A 4.6923 8.5512 120.5988 50.4950 22.5064 175.1886 18 I 4.8268 8.8425 122.7170 59.4496 40.4304 174.9811 19 V 4.5835 8.7246 125.6985 61.1870 34.3771 174.6142 20 V 5.3248 8.7864 120.5760 58.3550 35.3631 174.6020 21 A 5.7154 8.4432 125.4641 50.5194 19.6954 177.8382 22 R 4.2501 8.9698 121.7042 58.8436 30.7143 176.6700 23 F 4.1094 8.2694 119.9278 59.7358 39.8461 174.1750 24 N 4.3179 8.4327 123.2593 54.3134 36.2566 176.0438 25 E 4.5115 8.0436 121.5225 59.2868 29.3934 177.5874 26 F 3.9848 8.3602 118.6838 60.9796 39.4290 176.4255 27 V 4.1238 8.4717 117.2118 65.0764 32.0289 177.5312 28 T 3.8559 8.0166 109.0786 65.1509 68.2638 175.2841 29 R 4.0562 8.4720 122.1303 59.3390 29.9494 178.1666 30 R 3.8169 7.9663 116.7441 59.2907 30.1456 178.2074 31 L 3.8519 8.2716 120.1650 58.6197 41.9348 178.6921 32 M 3.8530 8.6413 117.9267 58.8447 32.1774 177.6540 33 E 4.0676 8.7227 119.1202 59.6232 29.5512 179.9236 34 G 3.4753 8.3874 105.4691 47.6944 0.0000 175.3183 35 A 3.6611 7.7692 124.0742 54.8662 18.3663 178.8428 36 L 4.0650 8.2506 118.7191 58.6192 42.0350 178.3001 37 D 4.3920 8.6021 117.6993 58.1203 41.1290 178.8183 38 T 3.8997 8.0183 115.9984 66.9539 68.2034 176.0221 39 F 4.3191 7.5782 117.9903 60.8062 39.2649 177.4540 40 K 4.1792 8.1623 117.1410 59.6802 31.7675 179.1006 41 K 3.8412 8.4666 118.6161 59.2319 32.5935 176.8813 42 Y 4.3151 8.6335 117.5160 58.3962 38.5877 176.1604 43 S 3.7912 8.2066 111.3371 58.8201 63.5046 172.8650 44 V 3.9586 7.8198 120.3211 62.1290 31.6893 175.7878 45 N 4.6998 8.2881 120.4647 53.7573 40.5517 174.1091 46 E 4.4974 9.0389 126.3230 56.5231 30.7334 174.6136 47 D 4.2905 8.9221 114.0359 59.6582 40.1147 173.8977 48 I 3.5823 6.4915 109.5182 58.4631 39.5139 174.5465 49 D 4.6496 8.7679 124.4316 54.0483 42.2374 175.4132 50 V 4.6391 8.3608 116.3496 59.5622 33.9562 175.0417 51 V 4.2894 8.8900 126.7591 60.9297 33.3887 174.3633 52 W 5.2122 8.8570 128.0978 55.8544 30.3812 176.1704 53 V 4.7069 9.1570 118.0757 58.8652 34.8327 174.7947 54 P 4.3448 0.0000 0.0000 65.5315 31.9212 176.3672 55 G 4.5440 8.1686 108.1626 42.3721 0.0000 173.1214 56 A 3.9364 8.6493 122.7223 55.3629 18.5024 179.4431 57 Y 3.9478 8.3409 116.0773 61.1902 38.7504 178.1344 58 E 4.1424 8.7136 119.3071 59.4676 29.5275 179.3662 59 L 3.9756 7.7444 118.8854 58.7116 41.6887 179.0573 60 G 3.6831 7.8269 101.2522 49.3743 0.0000 175.6357 61 V 3.6585 7.6840 112.0868 63.8445 32.1179 178.5878 62 T 3.8318 7.7692 114.6545 66.6883 68.2831 176.2142 63 A 3.8894 8.5761 122.5994 55.6586 18.4100 179.3975 64 Q 3.8302 8.3836 118.1085 59.9664 29.2497 178.7844 65 A 4.0049 8.8115 122.0764 54.7287 18.0819 179.1090 66 L 4.1498 8.2063 117.7375 57.8563 42.3524 180.2154 67 G 3.8211 8.8877 105.6231 47.9771 0.0000 176.0466 68 K 4.1851 8.1221 120.1296 58.3034 32.3657 178.9742 69 S 4.3531 8.3654 114.1665 58.6681 62.6927 175.1819 70 G 3.9423 7.9428 109.5019 46.2945 0.0000 174.7569 71 K 3.8058 7.8086 119.3107 58.0973 32.2231 176.8831 72 Y 4.7882 7.4065 114.2535 56.5379 40.4064 174.9678 73 H 4.8061 9.1661 118.5699 57.5583 29.9702 175.7619 74 A 4.9494 7.8630 118.1427 50.7209 22.6873 175.0804 75 I 4.8895 8.8310 115.6240 58.9261 40.7675 174.6590 76 V 4.6388 8.8989 125.7286 60.1118 33.8670 174.1175 77 C 5.1289 9.0670 123.0996 57.8734 30.6017 172.8145 78 L 5.5425 8.0033 123.5721 52.2165 44.9009 175.8060 79 G 4.3107 8.0705 107.3110 46.3531 0.0000 171.9124 80 A 5.2800 8.5556 121.3775 50.5658 22.1668 176.2581 81 V 4.2847 9.1825 123.1854 59.9152 33.6178 175.2108 82 V 4.3048 8.4701 119.4742 60.5541 32.6020 177.7684 83 K 3.5711 8.4795 127.3278 56.7340 28.9932 176.9591 84 G 3.7918 8.5221 113.1088 47.2973 0.0000 171.5537 85 D 4.6314 7.8971 116.8091 54.5862 43.1937 177.7224 86 T 4.2677 8.5554 115.7810 61.3506 70.7932 176.0503 87 S 5.0122 8.5413 116.8948 60.1387 62.6142 175.2197 88 H 3.8907 7.9410 122.7069 60.0423 29.3787 175.3867 89 Y 4.1812 8.1568 120.6371 61.4214 38.4832 177.6886 90 D 4.2148 8.5395 118.2321 58.1086 40.9768 178.6625 91 A 3.8158 8.2870 119.8520 55.9771 18.3266 179.3812 92 V 3.6100 8.3935 115.4012 65.9782 31.6316 178.4029 93 V 3.5220 8.0627 117.8334 66.4170 31.2505 177.8813 94 N 4.2295 8.7634 116.1483 56.3580 38.4003 177.2499 95 S 3.9278 8.2514 116.1960 62.0547 62.9606 176.4252 96 A 3.8915 8.7133 124.0240 55.3105 18.0274 179.1307 97 S 4.1776 8.7696 110.6132 61.7566 62.5023 176.4731 98 S 4.1105 8.8830 116.2472 61.6456 62.0354 176.1732 99 G 3.6528 8.4424 108.2354 48.2028 0.0000 175.3510 100 V 3.6054 7.8924 121.1126 65.8065 31.4881 177.4113 101 L 3.9321 8.1623 119.9090 57.7182 41.8133 178.7480 102 S 4.0862 8.7887 114.8163 62.0708 63.0221 176.5015 103 A 4.0942 8.7200 123.2450 55.3557 17.9493 179.4851 104 G 4.3355 8.3183 102.9404 47.8343 0.0000 175.4373 105 L 4.0289 7.7880 120.0936 57.5629 41.8016 179.0710 106 N 4.5074 8.6125 115.5728 56.4557 38.6339 177.4247 107 S 4.3792 8.7397 114.5518 59.0380 63.3376 175.3998 108 G 3.9696 8.1475 109.4895 45.6353 0.0000 172.7918 109 V 4.5361 7.8409 120.2494 59.8576 34.2421 173.2409 110 P 4.5487 0.0000 0.0000 63.2455 32.3186 174.7746 111 C 5.2310 8.5798 122.2322 57.7954 30.6556 173.8118 112 V 3.7315 8.8498 125.9230 62.5636 32.2949 175.3803 113 F 4.1320 9.0020 131.6039 56.4619 37.9302 175.4886 114 G 4.1754 8.7574 118.4835 44.0560 0.0000 170.6741 115 V 4.9172 6.3441 116.9483 59.6200 34.4176 177.3484 116 L 4.4263 8.9136 125.7994 54.1854 42.9389 177.1535 117 T 5.4031 7.9321 112.0928 60.4026 68.2671 173.1492 118 C 4.2958 8.1866 119.3321 60.4943 30.1965 174.5518 119 D 4.5110 8.9949 120.0862 56.0096 39.5691 176.7840 120 N 4.7299 9.6057 116.3811 51.8801 39.4647 175.8064 121 M 3.9752 8.8270 119.6275 59.2030 32.1380 177.8168 122 D 4.3590 8.2219 117.2675 57.7530 41.0258 178.0960 123 Q 3.9846 8.7705 116.8357 59.0377 29.0569 178.6476 124 A 4.1634 7.6986 120.4039 55.5669 18.3531 179.4483 125 I 3.7844 8.0369 118.1293 65.1712 37.2254 178.2903 126 N 4.4062 8.1695 116.8325 56.1500 38.4053 177.4863 127 R 4.0678 8.6665 119.1508 57.5025 30.8880 176.7963 128 A 4.4523 7.5308 123.8083 51.4932 18.3022 177.5463 129 G 3.9326 9.1027 106.4251 45.7996 0.0000 174.0378 130 G 4.2181 7.8003 111.0046 44.1664 0.0000 175.4984 131 K 4.1754 8.3354 120.3489 58.1204 32.6089 177.2894 132 A 4.4814 7.9905 121.4931 51.7928 20.0484 178.5437 133 G 3.7373 8.7135 104.9845 45.3747 0.0000 173.0548 134 N 5.6930 8.0644 119.3697 50.0411 41.4119 175.5064 135 K 4.1649 8.1781 131.2437 59.0162 32.3121 177.9217 136 G 3.7696 8.2356 104.8288 48.1387 0.0000 174.7908 137 A 3.7787 8.4642 123.3219 54.5947 18.1967 179.2806 138 E 3.7361 8.0184 116.7162 59.8252 29.2784 179.8434 139 S 4.0020 8.5733 114.9826 61.5206 62.8756 176.4590 140 A 3.4247 7.5819 123.1044 54.9238 17.9465 179.0535 141 L 3.3670 7.4831 118.5421 58.6842 42.0217 179.4569 142 T 3.6884 7.9582 115.3701 66.3971 68.3141 176.0928 143 A 3.9026 8.1032 122.9966 55.9629 18.2464 179.0755 144 I 3.6258 7.5606 117.5397 64.6753 37.1257 177.7270 145 E 3.8261 8.4317 119.3212 59.9749 29.4548 179.5083 146 M 3.8285 8.4458 118.2763 58.3925 31.8003 178.1339 147 A 3.8633 7.9305 119.6923 55.3535 18.7827 178.9189 148 S 4.2493 7.9064 110.8517 61.6238 62.3910 176.2104 149 L 4.0041 8.4473 122.9224 58.6524 41.7734 179.0373 150 F 4.4560 8.8681 117.5533 59.2481 39.8747 174.8276 151 E 5.1236 7.9267 118.3532 52.8479 28.6185 173.8842 152 H 4.8941 7.8171 129.3180 56.8734 32.2568 174.6680 153 H 4.4742 8.9571 113.7132 57.2631 29.0735 175.1719 154 L 3.9763 7.3830 120.8878 53.2724 41.9588 173.9726 155 K 4.1216 7.5267 120.5955 56.8013 32.7029 175.9042 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 8.29 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.05 4.49 0.00 2.90 2.78 0.00 0.00 6.34 6.77 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 3 E 9.34 3.99 0.00 1.97 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 0.00 2.31 2.33 0.00 4 L 8.14 4.41 0.00 1.68 1.83 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.02 4.52 0.00 1.79 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 0.00 2.04 2.17 0.00 6 G 8.16 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 7 Y 8.93 4.76 0.00 2.98 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 8 V 8.58 4.06 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 0.95 0.00 0.00 0.87 0.00 0.00 9 T 8.17 4.20 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 1.25 0.00 0.00 10 K 7.94 4.41 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.35 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.61 1.85 7.81 11 A 8.16 4.30 1.56 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 12 Q 7.71 3.56 0.00 2.32 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.12 0.00 3.63 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 F 8.63 4.25 0.00 2.66 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 0.00 0.00 0.00 0.00 15 R 8.36 4.57 0.00 1.83 1.64 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 16 F 8.73 5.66 0.00 2.47 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 17 A 8.55 4.69 0.18 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 18 I 8.84 4.83 1.74 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 1.17 0.91 0.74 0.00 0.00 19 V 8.72 4.58 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 0.78 0.00 0.00 0.81 0.00 0.00 20 V 8.79 5.32 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 0.52 0.00 0.00 -0.65 0.00 0.00 21 A 8.44 5.72 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 22 R 8.97 4.25 0.00 1.99 2.14 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.00 23 F 8.27 4.11 0.00 3.31 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 24 N 8.43 4.32 0.00 3.25 3.06 0.00 0.00 6.72 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 25 E 8.04 4.51 0.00 2.32 2.03 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 2.36 2.28 0.00 26 F 8.36 3.98 0.00 3.09 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 27 V 8.47 4.12 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 1.15 0.00 0.00 28 T 8.02 3.86 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 nan 0.00 0.00 29 R 8.47 4.06 0.00 2.18 1.99 0.00 3.36 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.97 3.82 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.27 3.85 0.00 1.88 1.71 0.91 0.82 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 32 M 8.64 3.85 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.72 4.07 0.00 2.15 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 2.36 2.59 0.00 34 G 8.39 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 35 A 7.77 3.66 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 36 L 8.25 4.06 0.00 2.00 1.71 1.02 1.08 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 37 D 8.60 4.39 0.00 2.79 2.84 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 0.00 0.00 0.00 38 T 8.02 3.90 4.05 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 0.76 0.00 0.00 39 F 7.58 4.32 0.00 3.33 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 40 K 8.16 4.18 0.00 1.97 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.47 3.84 0.00 1.90 2.28 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 42 Y 8.63 4.32 0.00 3.31 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 43 S 8.21 3.79 0.00 4.14 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 44 V 7.82 3.96 2.40 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 0.89 0.00 0.00 1.33 0.00 0.00 45 N 8.29 4.70 0.00 2.76 2.75 0.00 0.00 6.94 7.53 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 46 E 9.04 4.50 0.00 1.93 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 2.14 2.24 0.00 47 D 8.92 4.29 0.00 2.77 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 48 I 6.49 3.58 1.72 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 1.41 1.61 0.53 0.00 0.00 49 D 8.77 4.65 0.00 2.63 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 50 V 8.36 4.64 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 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.89 4.29 1.99 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 1.07 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.21 0.00 3.24 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 53 V 9.16 4.71 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 0.78 0.00 0.00 1.03 0.00 0.00 54 P 0.00 4.34 0.00 2.21 2.38 0.00 3.72 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 2.32 2.05 0.00 55 G 8.17 4.54 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 0.00 56 A 8.65 3.94 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 57 Y 8.34 3.95 0.00 3.08 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 58 E 8.71 4.14 0.00 2.40 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 2.42 2.50 0.00 59 L 7.74 3.98 0.00 1.74 1.69 0.79 0.83 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 60 G 7.83 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 0.00 0.00 0.00 61 V 7.68 3.66 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 0.83 0.00 0.00 0.99 0.00 0.00 62 T 7.77 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 A 8.58 3.89 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 64 Q 8.38 3.83 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.81 4.00 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 66 L 8.21 4.15 0.00 1.74 1.69 0.70 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.12 4.19 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 69 S 8.37 4.35 0.00 4.08 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 0.00 70 G 7.94 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 0.00 0.00 0.00 71 K 7.81 3.81 0.00 0.79 1.20 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.38 7.81 72 Y 7.41 4.79 0.00 2.94 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 73 H 9.17 4.81 0.00 2.83 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.86 4.95 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 75 I 8.83 4.89 1.78 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 1.27 1.46 0.77 0.00 0.00 76 V 8.90 4.64 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 1.02 0.00 0.00 0.83 0.00 0.00 77 C 9.07 5.13 0.00 2.69 2.76 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 78 L 8.00 5.54 0.00 1.39 1.40 0.79 0.61 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 79 G 8.07 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 0.00 0.00 0.00 0.00 80 A 8.56 5.28 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 81 V 9.18 4.28 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 0.84 0.00 0.00 0.88 0.00 0.00 82 V 8.47 4.30 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.48 3.57 0.00 0.79 1.34 0.00 0.88 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.66 7.81 84 G 8.52 3.79 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 0.00 0.00 0.00 85 D 7.90 4.63 0.00 2.63 2.40 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 86 T 8.56 4.27 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 1.24 0.00 0.00 87 S 8.54 5.01 0.00 4.29 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 0.00 88 H 7.94 3.89 0.00 3.26 3.43 0.00 5.62 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 89 Y 8.16 4.18 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 90 D 8.54 4.21 0.00 2.91 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 91 A 8.29 3.82 1.28 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 0.00 0.00 92 V 8.39 3.61 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 0.94 0.00 0.00 1.03 0.00 0.00 93 V 8.06 3.52 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 0.86 0.00 0.00 0.07 0.00 0.00 94 N 8.76 4.23 0.00 2.85 2.79 0.00 0.00 7.06 8.14 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 95 S 8.25 3.93 0.00 3.72 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 96 A 8.71 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.18 0.00 3.67 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 98 S 8.88 4.11 0.00 3.81 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 99 G 8.44 3.65 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 0.00 0.00 0.00 100 V 7.89 3.61 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 1.11 0.00 0.00 0.98 0.00 0.00 101 L 8.16 3.93 0.00 1.84 1.72 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.79 4.09 0.00 3.98 3.93 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 0.00 103 A 8.72 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.32 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 0.00 0.00 0.00 0.00 105 L 7.79 4.03 0.00 1.81 1.76 0.95 1.03 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 0.00 106 N 8.61 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.18 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 0.00 107 S 8.74 4.38 0.00 4.03 4.03 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 0.00 108 G 8.15 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 0.00 0.00 0.00 109 V 7.84 4.54 2.14 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 1.09 0.00 0.00 1.03 0.00 0.00 110 P 0.00 4.55 0.00 1.95 1.73 0.00 3.70 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 1.32 1.36 0.00 111 C 8.58 5.23 0.00 2.94 2.84 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 0.00 0.00 0.00 112 V 8.85 3.73 2.03 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 0.90 0.00 0.00 0.88 0.00 0.00 113 F 9.00 4.13 0.00 3.06 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 0.00 114 G 8.76 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 0.00 0.00 0.00 115 V 6.34 4.92 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 -0.83 0.00 0.00 0.74 0.00 0.00 116 L 8.91 4.43 0.00 1.63 1.66 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.93 5.40 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 1.27 0.00 0.00 118 C 8.19 4.30 0.00 2.97 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 0.00 119 D 8.99 4.51 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.61 4.73 0.00 2.89 2.91 0.00 0.00 6.77 8.31 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 0.00 121 M 8.83 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.22 4.36 0.00 2.74 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 0.00 123 Q 8.77 3.98 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.70 4.16 1.44 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 0.00 0.00 125 I 8.04 3.78 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.98 1.02 0.00 0.00 126 N 8.17 4.41 0.00 3.01 2.87 0.00 0.00 7.03 7.67 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 0.00 127 R 8.67 4.07 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 128 A 7.53 4.45 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 0.00 129 G 9.10 3.93 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 0.00 0.00 0.00 130 G 7.80 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 0.00 0.00 0.00 0.00 131 K 8.34 4.18 0.00 1.85 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 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 0.00 133 G 8.71 3.74 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 0.00 0.00 0.00 134 N 8.06 5.69 0.00 2.76 2.60 0.00 0.00 6.78 6.48 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 0.00 135 K 8.18 4.16 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.24 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 0.00 137 A 8.46 3.78 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 0.00 138 E 8.02 3.74 0.00 2.12 1.94 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 2.27 2.42 0.00 139 S 8.57 4.00 0.00 3.84 3.79 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 0.00 140 A 7.58 3.42 0.30 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 0.00 141 L 7.48 3.37 0.00 1.43 1.64 0.71 0.25 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 0.00 142 T 7.96 3.69 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 1.13 0.00 0.00 143 A 8.10 3.90 1.22 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 0.00 144 I 7.56 3.63 1.93 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 1.30 0.50 0.92 0.00 0.00 145 E 8.43 3.83 0.00 1.94 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 2.24 2.31 0.00 146 M 8.45 3.83 0.00 1.65 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 147 A 7.93 3.86 1.11 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 0.00 0.00 148 S 7.91 4.25 0.00 3.83 4.03 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 0.00 149 L 8.45 4.00 0.00 1.85 2.03 0.95 1.14 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 0.00 150 F 8.87 4.46 0.00 3.42 3.15 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 0.00 0.00 0.00 0.00 151 E 7.93 5.12 0.00 2.25 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 0.00 2.40 2.37 0.00 152 H 7.82 4.89 0.00 3.37 3.68 0.00 5.71 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 0.00 153 H 8.96 4.47 0.00 3.33 3.71 0.00 5.96 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 0.00 154 L 7.38 3.98 0.00 1.75 1.63 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81