NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3279 8.1585 120.3460 55.7134 34.0464 176.7738 2 A 4.0293 7.9380 118.1241 52.3005 18.3209 172.8581 3 E 3.9873 7.6177 117.8527 56.9164 29.9196 175.6852 4 G 3.9119 7.4759 110.1323 45.7838 0.0000 168.5320 5 E 3.9172 8.8573 123.0578 57.4559 27.8743 178.0267 6 I 4.5372 8.2591 120.6656 61.2599 42.1472 171.5196 7 T 3.3584 8.5582 120.5731 60.4194 69.7296 171.8526 8 T 3.8102 8.4985 112.7069 62.7712 68.7944 173.7313 9 L 4.1544 8.4571 125.4984 55.8887 42.3906 174.8688 10 P 4.2673 0.0000 0.0000 63.1577 30.1043 174.9790 11 A 4.3454 7.5690 124.9857 52.1279 21.8765 176.0959 12 L 4.7321 8.1284 118.3268 53.1996 40.1007 174.3281 13 P 4.3175 0.0000 0.0000 63.8768 32.6728 176.8303 14 E 3.7540 8.6976 115.5659 57.2653 26.1557 175.4621 15 D 4.4127 8.2375 118.4303 55.2736 41.5111 178.4361 16 G 4.1758 7.6559 115.4378 42.5334 0.0000 172.4278 17 G 3.7252 8.5389 108.1638 46.6825 0.0000 174.0080 18 S 3.4562 8.5650 111.3456 57.7503 60.9365 169.2716 19 G 4.5441 7.4695 124.2091 46.2353 0.0000 168.9851 20 A 4.6986 8.1464 126.5220 52.7940 23.9804 177.0442 21 F 4.3914 8.4586 113.4574 59.3238 39.6254 174.6720 22 P 4.6246 0.0000 0.0000 61.3734 31.8836 173.9601 23 P 4.4929 0.0000 0.0000 62.5477 31.4473 176.8990 24 G 4.8108 8.5232 119.9538 46.7485 0.0000 173.2549 25 H 4.8863 8.1803 113.4079 56.1985 31.6548 173.1025 26 F 4.7036 8.3367 117.4240 57.5841 39.1940 176.7203 27 K 4.3155 8.1680 123.8044 57.2820 32.7658 176.0069 28 D 5.0405 7.6658 116.6656 51.2736 43.6014 173.5907 29 P 4.5859 0.0000 0.0000 63.1640 32.9043 175.1819 30 K 4.8760 8.2047 119.1427 55.0818 36.2292 176.6328 31 R 4.3297 8.6877 123.9359 55.6820 31.6735 175.9307 32 L 4.5835 8.8368 124.8989 54.2942 42.4304 174.6628 33 Y 4.2380 8.4740 126.1522 55.8817 40.5109 173.8695 34 C 3.7056 8.3455 128.4691 58.5593 32.4229 174.4724 35 K 3.5198 7.7664 125.3540 58.4772 32.1312 175.9872 36 N 4.4622 7.5548 115.7546 53.9410 37.6012 174.9970 37 G 4.0113 8.8486 111.5194 44.5577 0.0000 172.5990 38 G 4.0191 7.2372 104.8675 45.6043 0.0000 171.9035 39 F 4.9426 7.1813 120.6064 56.0779 44.0018 173.3066 40 F 5.1429 9.3375 121.2033 56.2731 40.8911 175.1146 41 L 4.7831 8.5786 124.6519 55.1844 43.2987 176.3586 42 R 4.5416 8.8312 124.9617 55.1916 33.7706 173.7271 43 I 4.3385 8.3788 127.9712 60.2299 37.6894 175.7340 44 H 4.3641 8.6655 124.9890 54.8731 29.2275 175.3359 45 P 4.3349 0.0000 0.0000 65.7307 31.2485 177.3340 46 D 4.5220 8.0403 114.6092 53.5764 39.1155 175.9838 47 G 4.1555 8.6952 111.6214 45.8156 0.0000 174.3376 48 R 3.9726 7.7373 118.6713 56.7411 30.4198 175.5736 49 V 4.3887 8.0715 123.0740 61.8608 33.0807 174.5721 50 D 4.7247 8.5232 125.9528 53.0176 42.5806 173.9898 51 G 4.7311 9.0013 103.7418 45.8433 0.0000 172.5359 52 V 4.9545 8.9708 113.7959 59.8503 36.0094 176.7200 53 R 4.1556 9.0368 122.1409 58.9600 30.4048 175.5289 54 E 3.9190 8.2950 118.1279 56.4737 28.6118 177.3514 55 K 3.6060 8.0595 121.6237 57.2852 33.0116 178.2380 56 S 4.2115 7.5937 113.8169 59.5077 64.0009 172.9816 57 D 4.3383 7.6127 122.1177 53.9272 40.3000 175.5854 58 P 4.4977 0.0000 0.0000 64.2565 30.8241 176.7544 59 H 4.4942 7.9850 116.8995 57.1964 29.3391 176.5825 60 I 4.0563 7.7201 111.5468 62.0429 37.8046 177.3381 61 K 4.3535 7.5549 121.3978 56.3948 30.5357 174.6535 62 L 4.4834 8.0435 123.7493 53.5610 44.1980 175.3595 63 Q 4.5437 9.2253 125.8614 55.1683 29.5098 174.5448 64 L 5.0599 8.4328 126.4730 54.0262 43.6655 176.0865 65 Q 4.7597 9.0084 121.2321 54.6249 32.9609 173.6466 66 A 4.6226 8.3809 125.7921 51.3756 19.8230 176.5154 67 E 4.5954 8.5726 117.9631 55.1721 34.6933 175.9447 68 E 3.5195 9.0754 122.8333 57.2298 28.9204 178.2908 69 R 4.2743 8.6838 131.0096 57.9620 31.5354 173.8318 70 G 4.1022 9.2092 115.1565 45.0278 0.0000 172.5059 71 V 4.0442 6.9326 119.7882 62.1396 32.8161 175.3032 72 V 4.9291 7.8870 116.8301 60.1311 36.5237 174.1774 73 S 4.9625 9.4776 122.3367 57.6808 64.0260 173.5155 74 I 4.6657 8.4836 125.9062 60.4165 39.1414 174.8282 75 K 4.3541 8.6492 125.3835 54.7675 36.0974 174.9387 76 G 3.8830 8.3745 113.6005 45.3061 0.0000 174.3174 77 V 3.8536 8.1637 124.5151 65.3508 32.4061 178.3175 78 S 3.9832 7.9220 114.6049 61.2907 62.5981 175.7914 79 A 4.0316 8.0075 121.0563 53.3277 18.4908 176.6436 80 N 4.2995 7.3486 111.1604 52.8757 36.9414 174.2080 81 R 4.8152 7.1477 113.7162 55.0932 35.5731 174.8237 82 Y 4.6555 9.2523 120.1147 56.5202 39.5428 175.1374 83 L 4.5024 8.0284 122.8489 55.4963 43.7536 175.6038 84 A 5.3365 8.9740 125.7371 50.9033 22.8567 174.9724 85 M 4.7267 8.7945 121.6711 54.6840 34.1738 176.1058 86 K 4.5433 7.9720 123.6658 55.6911 34.2706 175.7959 87 E 3.8808 8.7423 118.6556 58.5768 30.2998 177.5785 88 D 4.2714 8.0156 117.5896 55.1704 39.5676 176.1099 89 G 3.3099 7.7626 113.4486 44.8986 0.0000 172.3578 90 R 4.4101 8.6879 122.9218 56.0717 30.9215 175.6344 91 L 4.6300 8.0556 124.9030 53.6539 43.1352 175.9543 92 L 4.7513 8.6998 122.3149 54.8283 44.5599 173.9973 93 A 5.3063 8.0512 119.8352 50.6707 22.1082 175.3635 94 S 4.5885 8.6324 113.8840 57.5955 67.6610 175.9850 95 K 4.1892 8.7638 120.0732 58.6205 32.3308 177.8532 96 S 4.5164 7.8478 112.4671 56.6006 63.4718 173.3381 97 V 3.7247 7.8311 127.2040 60.6796 31.3754 175.7509 98 T 4.4022 7.8148 114.8293 59.3660 70.9158 175.0068 99 D 4.5313 8.4700 120.6432 56.7583 41.4980 177.0386 100 E 4.3657 7.5276 120.2175 55.9138 28.9626 176.8874 101 C 4.8159 6.9084 110.3034 58.3539 31.4278 174.5949 102 F 4.7615 7.1188 118.2720 56.6638 40.5044 175.6742 103 F 4.7659 8.1997 116.1737 56.2471 43.3069 174.0956 104 F 4.4015 9.0094 123.9951 57.8111 39.7989 174.5324 105 E 4.6804 8.8055 126.3053 55.1187 29.0962 175.5369 106 R 4.5282 8.7315 129.0263 54.8041 30.6763 174.5550 107 L 4.4096 8.6817 128.9867 54.9621 43.2510 176.4875 108 E 4.5464 8.3518 125.0117 55.4982 31.6783 176.3083 109 S 4.6052 8.5340 113.1371 59.3434 62.7422 174.0197 110 N 4.8089 8.0327 116.1158 53.8174 38.4939 176.2253 111 N 4.0894 8.1609 113.1014 54.1623 37.0956 173.7141 112 Y 4.7439 7.5434 116.5280 57.2469 40.8261 173.7868 113 N 5.7127 9.0606 115.6659 52.1339 44.0179 174.2614 114 T 5.3212 8.0920 109.4441 59.2949 72.1190 172.6539 115 Y 4.6431 8.7208 125.0648 56.9663 39.0903 174.4289 116 R 4.8427 9.1554 126.0797 54.9725 32.2801 175.7520 117 S 4.4140 8.5071 120.0449 58.7468 63.5898 174.1304 118 R 4.3284 8.5187 125.5312 58.2202 30.5681 178.1569 119 K 3.5767 7.5478 120.0916 59.0794 32.5082 176.9098 120 Y 4.8638 7.3641 115.5196 56.6605 38.9496 175.4659 121 T 4.3457 7.8429 107.1313 62.3400 69.0003 175.9418 122 S 4.1965 7.4408 117.3899 58.6702 63.0128 173.1382 123 W 5.6209 7.0688 119.8514 55.9373 33.9101 172.7304 124 Y 5.2399 8.7234 116.5575 56.3847 41.8993 175.4747 125 V 4.2556 8.7894 121.4902 62.6031 31.9568 175.3384 126 A 4.9976 8.6356 128.3051 51.0026 22.6872 175.7305 127 L 4.5514 8.5278 121.8396 53.5500 44.8910 178.3537 128 K 4.5307 7.9987 124.6984 56.5343 29.7856 178.8157 129 R 4.3958 8.6451 121.4095 57.0186 30.9825 174.8137 130 T 4.1235 7.6217 110.5158 61.7112 68.2633 174.1376 131 G 3.9028 7.4778 106.8169 46.7826 0.0000 173.4765 132 Q 4.6440 7.4034 118.4767 54.5220 30.2931 173.9155 133 Y 4.7760 8.1849 118.5292 55.7096 39.0956 175.1986 134 K 3.9359 8.2581 126.6341 55.6360 32.5091 176.2933 135 L 4.0777 8.6547 129.0542 55.5670 42.7377 178.0609 136 G 3.6498 8.2692 111.7212 47.1819 0.0000 174.8206 137 S 3.5854 7.3675 113.6565 59.7943 63.7830 175.4337 138 K 4.1952 7.4104 117.6822 57.5014 32.1928 177.3380 139 T 4.2890 7.7441 109.0819 60.5269 69.6622 174.1161 140 G 4.1152 8.1898 110.5805 44.9929 0.0000 169.8245 141 P 4.4259 0.0000 0.0000 63.1371 31.9768 176.0137 142 G 4.3381 8.8392 110.7776 45.9911 0.0000 174.4199 143 Q 4.1249 7.2291 120.0106 55.2699 29.3145 176.8750 144 K 4.1665 8.5208 120.2616 56.6651 32.2441 178.2202 145 A 3.9561 7.3729 121.4971 53.6946 18.4439 178.6015 146 I 4.3358 7.4776 108.7216 61.2661 38.3133 175.3399 147 L 4.4653 7.7522 123.0569 54.3045 41.3750 176.0226 148 F 4.5109 9.4981 123.5648 55.7474 41.6637 175.2375 149 L 5.0652 8.2509 120.9980 52.8099 41.2532 173.1709 150 P 4.7006 0.0000 0.0000 63.0347 32.7433 176.2682 151 M 4.4688 8.8147 125.6800 53.7233 33.5430 175.8986 152 S 4.3904 8.6693 119.2821 57.4588 63.2343 174.5478 153 A 4.4103 7.7436 132.0767 51.3346 17.3768 176.9330 154 K 4.0054 7.2810 122.1516 57.2127 32.8800 178.3759 155 S 4.3627 8.1818 122.4448 59.1066 62.9345 174.3576 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 8.16 4.33 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 2 A 7.94 4.03 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 3 E 7.62 3.99 0.00 1.89 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 2.33 2.41 0.00 4 G 7.48 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 5 E 8.86 3.92 0.00 1.93 1.69 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 2.21 2.30 0.00 6 I 8.26 4.54 1.85 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 1.45 0.46 0.90 0.00 0.00 7 T 8.56 3.36 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 1.20 0.00 0.00 8 T 8.50 3.81 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 1.19 0.00 0.00 9 L 8.46 4.15 0.00 1.62 1.74 0.92 1.10 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 10 P 0.00 4.27 0.00 2.13 2.09 0.00 3.44 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 1.96 2.05 0.00 11 A 7.57 4.35 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 12 L 8.13 4.73 0.00 1.66 1.60 0.95 0.62 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 13 P 0.00 4.32 0.00 2.15 2.08 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 14 E 8.70 3.75 0.00 2.06 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 0.00 2.32 2.27 0.00 15 D 8.24 4.41 0.00 2.66 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 16 G 7.66 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 17 G 8.54 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 18 S 8.56 3.46 0.00 4.12 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 19 G 7.47 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 20 A 8.15 4.70 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.46 4.39 0.00 3.20 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 22 P 0.00 4.62 0.00 2.23 2.14 0.00 3.72 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 2.08 2.19 0.00 23 P 0.00 4.49 0.00 2.14 2.05 0.00 4.09 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 24 G 8.52 4.81 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 0.00 0.00 0.00 25 H 8.18 4.89 0.00 2.76 3.02 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.34 4.70 0.00 3.07 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 27 K 8.17 4.32 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 28 D 7.67 5.04 0.00 2.65 2.53 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 29 P 0.00 4.59 0.00 2.00 2.09 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 30 K 8.20 4.88 0.00 1.60 1.68 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.48 7.81 31 R 8.69 4.33 0.00 2.00 2.10 0.00 3.12 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 32 L 8.84 4.58 0.00 1.75 1.85 0.71 0.83 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 33 Y 8.47 4.24 0.00 2.70 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 34 C 8.35 3.71 0.00 2.52 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.77 3.52 0.00 1.77 1.42 0.00 1.31 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.49 7.81 36 N 7.55 4.46 0.00 2.55 2.69 0.00 0.00 6.83 7.61 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 37 G 8.85 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 0.00 0.00 0.00 38 G 7.24 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 39 F 7.18 4.94 0.00 2.90 2.92 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 40 F 9.34 5.14 0.00 3.32 3.16 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 0.00 0.00 0.00 0.00 41 L 8.58 4.78 0.00 1.82 1.64 1.06 0.82 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 42 R 8.83 4.54 0.00 1.94 1.83 0.00 3.13 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 43 I 8.38 4.34 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.88 0.00 0.00 44 H 8.67 4.36 0.00 3.51 3.36 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 45 P 0.00 4.33 0.00 2.07 2.15 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 46 D 8.04 4.52 0.00 2.75 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 47 G 8.70 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.74 3.97 0.00 2.06 1.92 0.00 3.12 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 49 V 8.07 4.39 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 0.77 0.00 0.00 0.94 0.00 0.00 50 D 8.52 4.72 0.00 3.00 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 51 G 9.00 4.73 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 52 V 8.97 4.95 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 0.96 0.00 0.00 1.12 0.00 0.00 53 R 9.04 4.16 0.00 1.86 2.00 0.00 2.93 0.00 0.00 2.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.86 0.00 54 E 8.30 3.92 0.00 2.04 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 2.40 2.27 0.00 55 K 8.06 3.61 0.00 1.41 0.82 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.20 7.81 56 S 7.59 4.21 0.00 3.95 3.96 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 57 D 7.61 4.34 0.00 2.83 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 58 P 0.00 4.50 0.00 2.09 2.13 0.00 3.53 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 59 H 7.99 4.49 0.00 3.26 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.72 4.06 1.97 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 1.43 0.55 1.01 0.00 0.00 61 K 7.55 4.35 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 62 L 8.04 4.48 0.00 1.58 1.53 0.88 0.73 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 63 Q 9.23 4.54 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 64 L 8.43 5.06 0.00 1.69 1.79 0.97 0.96 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 65 Q 9.01 4.76 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 66 A 8.38 4.62 0.72 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 0.00 0.00 67 E 8.57 4.60 0.00 1.89 1.67 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 2.25 2.54 0.00 68 E 9.08 3.52 0.00 1.94 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 2.09 2.04 0.00 69 R 8.68 4.27 0.00 1.67 1.73 0.00 3.17 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 70 G 9.21 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 6.93 4.04 2.06 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 0.56 0.00 0.00 0.49 0.00 0.00 72 V 7.89 4.93 2.26 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 0.95 0.00 0.00 1.25 0.00 0.00 73 S 9.48 4.96 0.00 3.87 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 74 I 8.48 4.67 1.87 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.01 0.79 0.00 0.00 75 K 8.65 4.35 0.00 1.70 1.57 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.86 0.21 7.81 76 G 8.37 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.16 3.85 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 0.82 0.00 0.00 0.91 0.00 0.00 78 S 7.92 3.98 0.00 3.66 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 79 A 8.01 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.35 4.30 0.00 2.81 2.84 0.00 0.00 6.67 7.29 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 81 R 7.15 4.82 0.00 1.66 1.91 0.00 3.11 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 82 Y 9.25 4.66 0.00 2.89 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 83 L 8.03 4.50 0.00 1.78 1.57 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.97 5.34 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 85 M 8.79 4.73 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 86 K 7.97 4.54 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.58 7.81 87 E 8.74 3.88 0.00 1.90 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 2.35 2.48 0.00 88 D 8.02 4.27 0.00 2.67 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 89 G 7.76 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.69 4.41 0.00 1.80 1.81 0.00 3.10 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 91 L 8.06 4.63 0.00 1.31 1.51 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.70 4.75 0.00 1.68 1.63 0.97 0.52 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 93 A 8.05 5.31 1.21 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 94 S 8.63 4.59 0.00 3.79 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 95 K 8.76 4.19 0.00 1.78 1.91 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.38 7.81 96 S 7.85 4.52 0.00 3.80 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 97 V 7.83 3.72 0.67 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 0.51 0.00 0.00 0.46 0.00 0.00 98 T 7.81 4.40 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 1.16 0.00 0.00 99 D 8.47 4.53 0.00 2.66 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 0.00 100 E 7.53 4.37 0.00 2.01 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 2.15 2.20 0.00 101 C 6.91 4.82 0.00 2.32 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.12 4.76 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.20 4.77 0.00 3.13 3.14 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 0.00 104 F 9.01 4.40 0.00 3.18 3.08 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 0.00 105 E 8.81 4.68 0.00 2.19 2.12 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 2.30 2.01 0.00 106 R 8.73 4.53 0.00 2.11 1.94 0.00 3.24 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 107 L 8.68 4.41 0.00 1.48 1.52 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.35 4.55 0.00 2.24 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 2.32 2.33 0.00 109 S 8.53 4.61 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.03 4.81 0.00 3.03 3.03 0.00 0.00 7.16 6.97 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 0.00 111 N 8.16 4.09 0.00 2.53 2.75 0.00 0.00 6.96 7.40 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 0.00 112 Y 7.54 4.74 0.00 3.00 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 0.00 113 N 9.06 5.71 0.00 2.63 2.34 0.00 0.00 6.48 6.80 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 0.00 114 T 8.09 5.32 4.36 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 1.34 0.00 0.00 115 Y 8.72 4.64 0.00 2.81 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 0.00 116 R 9.16 4.84 0.00 2.18 1.99 0.00 3.17 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.56 0.00 117 S 8.51 4.41 0.00 4.24 4.10 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 0.00 118 R 8.52 4.33 0.00 1.68 1.65 0.00 3.24 0.00 0.00 3.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 119 K 7.55 3.58 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.84 0.86 7.81 120 Y 7.36 4.86 0.00 3.39 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 0.00 121 T 7.84 4.35 4.11 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 1.26 0.00 0.00 122 S 7.44 4.20 0.00 2.72 3.16 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 0.00 0.00 0.00 0.00 123 W 7.07 5.62 0.00 3.49 3.08 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 0.00 124 Y 8.72 5.24 0.00 2.99 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 0.00 125 V 8.79 4.26 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 0.77 0.00 0.00 1.01 0.00 0.00 126 A 8.64 5.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.53 4.55 0.00 1.59 1.71 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.00 4.53 0.00 1.61 0.85 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.24 7.81 129 R 8.65 4.40 0.00 1.83 1.89 0.00 3.00 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 130 T 7.62 4.12 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 1.10 0.00 0.00 131 G 7.48 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 0.00 0.00 0.00 132 Q 7.40 4.64 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 133 Y 8.18 4.78 0.00 3.04 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 0.00 134 K 8.26 3.94 0.00 1.76 1.93 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.32 7.81 135 L 8.65 4.08 0.00 1.70 1.44 0.95 1.04 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 0.00 136 G 8.27 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 0.00 137 S 7.37 3.59 0.00 3.78 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.41 4.20 0.00 1.76 1.87 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.31 7.81 139 T 7.74 4.29 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 1.35 0.00 0.00 140 G 8.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.43 0.00 2.03 1.96 0.00 3.77 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 2.05 2.10 0.00 142 G 8.84 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 0.00 0.00 0.00 0.00 143 Q 7.23 4.12 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 144 K 8.52 4.17 0.00 1.82 1.62 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.35 7.81 145 A 7.37 3.96 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 0.00 146 I 7.48 4.34 1.93 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 1.58 0.60 0.93 0.00 0.00 147 L 7.75 4.47 0.00 1.15 0.71 0.51 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 148 F 9.50 4.51 0.00 3.18 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 0.00 149 L 8.25 5.07 0.00 1.82 1.76 0.76 0.94 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 0.00 150 P 0.00 4.70 0.00 2.06 2.16 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 151 M 8.81 4.47 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 152 S 8.67 4.39 0.00 3.77 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 0.00 153 A 7.74 4.41 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 0.00 154 K 7.28 4.01 0.00 1.73 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 S 8.18 4.36 0.00 3.84 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