NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4152 8.1927 115.2906 57.8022 63.8587 174.1510 3 V 3.3572 8.4471 126.8437 66.0249 31.2816 176.5526 4 Y 3.9282 8.5778 118.0428 61.1825 38.2173 177.9218 5 D 4.4105 8.1073 119.1380 57.2301 40.9668 178.5188 6 A 3.9663 8.0833 121.2048 55.0061 18.3711 179.4695 7 A 3.8701 8.1939 118.8624 54.8942 18.1019 179.5956 8 A 4.0303 7.5578 118.2230 55.0319 18.4907 179.4787 9 Q 4.1798 7.9044 115.8027 57.6739 29.8356 177.4577 10 L 4.2031 7.1170 120.7797 53.9524 39.9753 177.0146 11 T 4.2552 7.6247 114.6380 60.1966 71.7791 175.1643 12 A 3.9592 8.4768 122.2517 55.5774 18.2068 179.4939 13 D 4.3014 7.9922 116.9775 56.4703 39.5136 178.8424 14 V 3.4836 7.3083 119.3486 65.7375 31.5086 178.1988 15 K 3.8458 8.2444 118.5663 59.1368 31.7483 179.2778 16 K 3.9338 8.0608 119.9407 59.7596 32.1821 178.7295 17 D 4.5839 8.1469 119.1082 57.1595 40.6171 178.8797 18 L 3.6931 7.9942 119.7278 57.6966 41.6088 179.7085 19 R 4.0283 8.1370 118.0284 59.4198 29.1851 178.7818 20 D 4.4950 8.4256 119.0373 57.5852 40.9176 179.2050 21 S 3.1248 8.1817 114.6995 60.8232 62.8975 176.3112 22 W 4.3507 8.6702 131.9709 60.0400 30.2114 178.0566 23 K 3.8225 8.0779 117.9282 58.8147 31.6655 178.5907 24 V 3.9023 6.9354 115.3372 64.9624 31.7473 178.0602 25 I 3.5553 7.5282 111.4955 62.9823 37.5651 176.9594 26 G 2.0447 6.9220 108.8352 45.1676 0.0000 174.6354 27 S 4.1439 7.2916 114.1616 59.6642 64.1655 174.1622 28 D 4.7117 7.2162 120.0921 51.2478 40.9562 175.2653 29 K 3.8964 7.9399 123.1220 58.9462 32.5626 178.5204 30 K 4.0187 7.9874 119.3815 59.4620 32.3985 179.0361 31 G 3.6008 8.0259 107.0671 47.4976 0.0000 175.5524 32 N 4.4755 8.5884 119.9176 55.4830 38.5621 177.9324 33 G 3.5909 8.2343 107.7449 47.8537 0.0000 176.0337 34 V 3.6997 7.9416 121.5938 64.9008 31.5036 177.9443 35 A 4.0207 7.7489 121.5585 54.3950 18.1147 179.5675 36 L 3.6693 7.8481 117.3368 58.1304 41.7395 179.5946 37 M 3.5153 7.7160 118.5102 58.4785 31.5151 178.9549 38 T 3.9496 8.0669 110.1894 65.2474 68.8130 176.5681 39 T 3.8328 7.8585 118.5808 65.9967 68.3799 176.3621 40 L 3.6894 7.5448 122.4096 58.2393 41.8247 179.1969 41 F 4.5316 7.5245 116.1137 60.2501 38.8542 177.4117 42 A 4.1742 7.9886 120.1806 55.0217 18.3568 178.8000 43 D 4.6422 8.0826 115.2619 54.8795 42.8294 176.7603 44 N 5.2441 8.0463 115.6722 49.2153 39.1630 174.7201 45 Q 4.1684 8.2387 120.3765 59.2157 29.1759 178.7830 46 E 4.1521 8.3365 117.8206 58.9167 29.5608 178.2816 47 T 4.7355 8.4409 110.2027 63.1124 69.3298 176.6002 48 I 3.8886 8.1380 124.0294 64.5624 36.8577 178.1615 49 G 3.6654 8.1489 105.2824 48.0729 0.0000 174.8604 50 Y 4.2606 7.8168 117.4656 59.6993 38.0877 176.5958 51 F 4.9512 8.2551 119.0390 56.6730 40.0264 177.7769 52 K 3.9013 8.2975 124.5130 59.4818 32.2178 178.4935 53 R 3.9528 8.0533 117.9268 59.2213 30.0214 176.9631 54 L 4.2852 7.9939 115.5124 54.9716 42.6698 178.8315 55 G 3.8356 7.7007 107.3397 46.5063 0.0000 176.6622 56 N 4.5569 8.3966 120.6645 52.0709 37.4898 175.7040 57 V 3.8307 7.8507 117.7877 62.6881 31.8814 178.1938 58 S 4.3576 7.9721 114.0874 59.8866 62.8632 175.3406 59 Q 4.1096 8.2057 120.5794 56.4809 29.8604 177.3491 60 G 3.9260 7.6577 107.8236 46.1666 0.0000 175.7775 61 M 3.8523 9.0936 120.3918 58.6639 32.0849 177.5047 62 A 3.9849 7.5566 119.5575 54.7020 18.7831 177.3123 63 N 4.5096 8.3801 114.9071 53.2796 39.2152 175.0844 64 D 4.3905 8.7250 129.2671 57.5703 41.0191 178.9967 65 K 4.0279 8.1310 118.3580 59.3947 32.0406 179.0475 66 L 4.0831 8.5871 120.8936 57.9855 42.0228 178.9817 67 R 4.0079 8.4706 119.2769 59.3878 30.1827 178.7940 68 G 3.6654 8.5349 106.0126 48.0339 0.0000 175.2255 69 H 4.2866 8.3904 120.6778 59.1331 29.9396 177.6177 70 S 4.1440 8.4591 117.2512 61.6387 62.1466 176.7874 71 I 3.9007 7.9096 122.4993 64.7226 36.8703 178.6590 72 T 4.1088 7.9454 116.3098 66.5487 68.3522 176.2453 73 L 3.9832 8.1216 122.3571 58.7632 41.9867 179.1091 74 M 4.2592 7.8658 117.4414 58.4452 31.9008 178.0340 75 Y 4.0790 8.0522 116.1404 59.9725 38.1906 177.7381 76 A 3.7685 7.7849 122.3373 54.7700 18.4325 179.6414 77 L 3.5324 7.4367 117.0730 57.5033 41.6791 179.0900 78 Q 3.4559 7.8444 119.6426 59.0613 28.7484 177.9648 79 N 4.1956 7.5004 116.4344 56.7301 39.3145 176.4737 80 F 4.5292 7.3432 118.5995 60.7756 38.8211 177.6308 81 I 3.4889 7.5947 119.4892 64.5691 36.6271 178.2730 82 D 4.4094 8.0930 118.2509 56.4607 40.8905 177.7011 83 Q 4.4389 7.6487 117.0329 55.4433 28.7859 177.1027 84 L 3.8822 7.3318 121.7603 58.1291 41.7265 178.2618 85 D 4.4572 7.9599 114.9994 55.3049 41.1641 176.3666 86 N 4.8128 8.0150 117.8248 50.2237 40.3319 172.0078 87 P 4.1604 0.0000 0.0000 65.6610 31.6211 177.9001 88 D 4.8503 8.1692 118.2762 57.1214 40.8217 178.4894 89 D 4.3591 8.1467 119.2776 57.0206 40.8417 178.4790 90 L 3.8554 8.1114 121.2297 58.0644 42.0538 179.2248 91 V 3.2955 7.9318 118.6809 66.0935 31.5057 177.8507 92 C 4.1624 7.8843 113.9481 61.3280 29.4072 176.2242 93 V 3.7640 7.8633 115.0684 63.9732 31.0696 178.7290 94 V 3.5657 7.8847 118.1983 66.0291 31.2579 178.0047 95 E 3.9355 8.2768 118.4139 59.1386 29.0386 179.2278 96 K 3.9328 7.8220 118.6222 59.5047 31.8621 178.2036 97 F 4.2610 8.5782 120.7465 61.3571 39.2390 176.9238 98 A 3.9221 8.4740 120.5618 54.8889 18.2387 179.5107 99 V 3.4423 7.4911 116.7383 66.6336 31.4226 178.1359 100 N 4.2908 7.9558 115.3002 56.6003 38.4364 177.0977 101 H 4.0186 7.4710 114.3689 58.6273 28.7108 177.9646 102 I 3.7615 7.9974 122.3611 64.4300 36.7021 178.5357 103 T 3.9416 7.5900 109.2855 64.3487 68.6186 175.8598 104 R 4.2649 7.3020 118.6050 55.2774 30.2254 176.3392 105 K 3.8383 7.8139 116.9984 57.4219 29.9842 175.7822 106 I 4.0197 7.6547 120.9321 60.4194 37.1430 177.0534 107 S 4.4944 8.4781 120.8892 57.4199 65.5390 174.7125 108 A 4.0299 8.5475 123.6033 55.4147 17.8220 179.8503 109 A 4.0434 7.9461 117.7551 55.3293 18.7698 179.2379 110 E 4.1526 8.1356 117.0596 59.6375 29.5922 179.3678 111 F 4.1564 8.5984 120.7800 61.1158 39.5107 177.1432 112 G 3.8863 8.2111 104.5262 46.8975 0.0000 175.4489 113 K 4.1907 8.3244 120.8690 58.7348 32.0550 178.5741 114 F 3.9066 8.2677 120.9813 60.3317 39.1267 176.7008 115 N 4.5219 8.2616 116.6140 56.3250 38.2848 177.1918 116 G 3.5687 7.6416 106.1860 47.4669 0.0000 173.7611 117 P 4.0659 0.0000 0.0000 64.9940 31.2076 178.7749 118 I 3.4731 7.4264 118.3252 64.1044 37.0316 178.2608 119 K 3.8786 8.1695 120.6088 59.6127 32.0045 178.9860 120 K 3.9711 7.9987 118.6442 59.3770 31.7382 179.5329 121 V 3.5236 7.7278 117.8405 65.8581 31.6404 177.7588 122 L 4.1043 8.0918 118.6522 57.8375 41.4259 179.3292 123 A 4.1589 8.1308 120.9043 55.1583 18.0871 179.7089 124 S 4.1481 8.1473 111.5883 60.4324 62.9274 175.8621 125 K 4.4475 7.6870 120.5856 55.6471 32.3809 175.7508 126 N 4.1736 8.1190 115.0117 54.1038 36.2016 173.9402 127 F 4.4256 8.1043 117.3259 55.9286 40.0719 176.8496 128 G 4.1031 8.6747 114.1377 43.8777 0.0000 172.2034 129 D 4.5217 8.9153 118.6654 57.7638 40.5657 179.0477 130 K 3.8486 8.1452 119.2257 59.8664 32.1857 178.3216 131 Y 4.1049 8.2255 116.7091 60.9918 37.8612 178.0581 132 A 4.2592 8.2791 121.3296 55.3574 18.4123 179.3009 133 N 4.3978 8.7226 115.1696 56.1814 38.4408 177.6062 134 A 3.9583 7.8307 122.3029 54.9995 18.4058 179.7924 135 W 3.8659 8.5513 117.2957 59.6353 29.1188 178.6463 136 A 4.1241 8.4330 120.9576 55.1440 17.5426 179.8616 137 K 3.9832 7.5965 116.5686 59.2305 32.3791 179.1271 138 L 3.9128 7.5340 120.9886 58.1066 42.0545 179.1310 139 V 3.7314 8.2624 118.3220 66.0269 31.3980 177.8200 140 A 4.5698 8.0261 121.9126 54.4271 17.9020 179.7595 141 V 3.3882 7.2781 116.2688 66.1861 31.8546 178.1863 142 V 3.4630 7.4380 117.4445 65.9176 31.4172 177.8237 143 Q 3.8648 8.0388 117.6504 58.7472 28.3087 178.5039 144 A 4.0592 7.8885 120.4692 54.0122 18.4524 178.3483 145 A 4.3815 7.6552 117.2782 52.0720 19.6854 176.9951 146 L 4.1680 7.5543 122.4616 54.6082 41.9147 176.3476 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 2 S 8.19 4.42 0.00 3.90 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 0.00 3 V 8.45 3.36 1.91 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 0.76 0.00 0.00 0.84 0.00 0.00 4 Y 8.58 3.93 0.00 3.00 2.94 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 5 D 8.11 4.41 0.00 2.84 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 6 A 8.08 3.97 1.30 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 7 A 8.19 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 8 A 7.56 4.03 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 9 Q 7.90 4.18 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.30 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 10 L 7.12 4.20 0.00 1.69 1.53 0.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.62 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 A 8.48 3.96 1.32 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 0.00 0.00 0.00 13 D 7.99 4.30 0.00 2.92 2.91 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 14 V 7.31 3.48 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 0.90 0.00 0.00 0.87 0.00 0.00 15 K 8.24 3.85 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.59 7.81 16 K 8.06 3.93 0.00 1.99 1.99 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.58 7.81 17 D 8.15 4.58 0.00 2.80 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 18 L 7.99 3.69 0.00 1.64 1.24 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.14 4.03 0.00 1.90 2.05 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 20 D 8.43 4.49 0.00 2.93 2.94 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 21 S 8.18 3.12 0.00 3.38 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 4.35 0.00 3.80 3.39 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 23 K 8.08 3.82 0.00 1.99 1.87 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.83 7.81 24 V 6.94 3.90 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 1.13 0.00 0.00 1.09 0.00 0.00 25 I 7.53 3.56 1.62 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.33 0.71 0.00 0.00 26 G 6.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.29 4.14 0.00 3.89 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 28 D 7.22 4.71 0.00 2.62 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.94 3.90 0.00 1.74 1.72 0.00 1.24 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.37 7.81 30 K 7.99 4.02 0.00 1.83 1.79 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 31 G 8.03 3.60 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 0.00 0.00 0.00 32 N 8.59 4.48 0.00 2.68 2.74 0.00 0.00 6.96 7.18 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 33 G 8.23 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 34 V 7.94 3.70 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 1.19 0.00 0.00 0.96 0.00 0.00 35 A 7.75 4.02 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 36 L 7.85 3.67 0.00 1.87 1.52 1.01 0.48 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 37 M 7.72 3.52 0.00 1.76 2.11 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 38 T 8.07 3.95 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 39 T 7.86 3.83 4.15 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 1.13 0.00 0.00 40 L 7.54 3.69 0.00 1.24 1.16 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.52 4.53 0.00 3.18 2.94 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 42 A 7.99 4.17 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 43 D 8.08 4.64 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.05 5.24 0.00 2.99 2.92 0.00 0.00 7.16 7.75 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 45 Q 8.24 4.17 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 46 E 8.34 4.15 0.00 2.20 2.27 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 2.49 2.40 0.00 47 T 8.44 4.74 4.74 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 1.43 0.00 0.00 48 I 8.14 3.89 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.74 0.00 0.00 49 G 8.15 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 50 Y 7.82 4.26 0.00 2.98 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.26 4.95 0.00 3.10 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 52 K 8.30 3.90 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 53 R 8.05 3.95 0.00 1.84 2.01 0.00 3.31 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.99 4.29 0.00 1.88 1.76 1.05 0.93 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 55 G 7.70 3.84 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 0.00 0.00 0.00 56 N 8.40 4.56 0.00 2.71 2.72 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.85 3.83 1.78 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 0.60 0.00 0.00 0.31 0.00 0.00 58 S 7.97 4.36 0.00 3.99 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 59 Q 8.21 4.11 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 60 G 7.66 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 61 M 9.09 3.85 0.00 1.97 2.15 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 2.60 2.64 0.00 62 A 7.56 3.98 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 63 N 8.38 4.51 0.00 2.78 2.90 0.00 0.00 7.09 8.01 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 64 D 8.73 4.39 0.00 2.75 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 65 K 8.13 4.03 0.00 2.02 1.92 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 66 L 8.59 4.08 0.00 1.81 1.87 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.47 4.01 0.00 2.07 2.07 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 68 G 8.53 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 69 H 8.39 4.29 0.00 3.42 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.46 4.14 0.00 4.07 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 71 I 7.91 3.90 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 1.15 0.00 0.00 72 T 7.95 4.11 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 73 L 8.12 3.98 0.00 1.75 1.89 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.87 4.26 0.00 2.11 2.16 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 2.77 2.97 0.00 75 Y 8.05 4.08 0.00 3.24 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.78 3.77 1.20 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 0.00 0.00 0.00 77 L 7.44 3.53 0.00 1.53 1.21 1.01 1.14 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 78 Q 7.84 3.46 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 79 N 7.50 4.20 0.00 2.78 2.63 0.00 0.00 7.32 6.99 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 80 F 7.34 4.53 0.00 3.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.59 3.49 1.55 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 1.07 -0.19 0.80 0.00 0.00 82 D 8.09 4.41 0.00 2.76 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 83 Q 7.65 4.44 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 84 L 7.33 3.88 0.00 1.54 1.67 0.78 0.81 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 85 D 7.96 4.46 0.00 2.65 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 86 N 8.02 4.81 0.00 2.72 2.65 0.00 0.00 7.07 7.80 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 87 P 0.00 4.16 0.00 2.34 2.17 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 88 D 8.17 4.85 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.15 4.36 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.11 3.86 0.00 1.83 1.69 0.71 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.93 3.30 1.72 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 0.60 0.00 0.00 -0.13 0.00 0.00 92 C 7.88 4.16 0.00 3.23 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 93 V 7.86 3.76 2.22 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 0.89 0.00 0.00 1.15 0.00 0.00 94 V 7.88 3.57 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 0.88 0.00 0.00 0.33 0.00 0.00 95 E 8.28 3.94 0.00 2.05 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 2.26 2.54 0.00 96 K 7.82 3.93 0.00 1.80 2.17 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.56 7.81 97 F 8.58 4.26 0.00 3.46 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 98 A 8.47 3.92 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 99 V 7.49 3.44 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 0.99 0.00 0.00 1.01 0.00 0.00 100 N 7.96 4.29 0.00 2.55 2.68 0.00 0.00 7.03 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 0.00 101 H 7.47 4.02 0.00 3.19 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.00 3.76 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.89 0.00 0.00 103 T 7.59 3.94 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 104 R 7.30 4.26 0.00 1.82 1.93 0.00 3.18 0.00 0.00 3.04 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 105 K 7.81 3.84 0.00 2.03 1.98 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 106 I 7.65 4.02 1.96 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 1.36 0.65 0.97 0.00 0.00 107 S 8.48 4.49 0.00 4.09 4.04 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 0.00 108 A 8.55 4.03 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 0.00 109 A 7.95 4.04 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 0.00 110 E 8.14 4.15 0.00 2.21 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 0.00 2.44 2.42 0.00 111 F 8.60 4.16 0.00 3.31 3.24 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 0.00 112 G 8.21 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 0.00 0.00 0.00 113 K 8.32 4.19 0.00 1.95 1.91 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.63 7.81 114 F 8.27 3.91 0.00 2.97 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 0.00 115 N 8.26 4.52 0.00 3.05 2.91 0.00 0.00 6.70 7.39 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 0.00 116 G 7.64 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 1.42 1.80 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.86 0.00 118 I 7.43 3.47 1.98 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.59 0.00 0.00 119 K 8.17 3.88 0.00 1.91 1.97 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.53 7.81 120 K 8.00 3.97 0.00 1.77 1.78 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 121 V 7.73 3.52 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 0.70 0.00 0.00 0.86 0.00 0.00 122 L 8.09 4.10 0.00 1.93 1.96 0.92 0.53 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 0.00 123 A 8.13 4.16 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 0.00 124 S 8.15 4.15 0.00 4.01 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 0.00 125 K 7.69 4.45 0.00 2.08 1.98 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.60 7.81 126 N 8.12 4.17 0.00 2.56 2.74 0.00 0.00 6.79 7.45 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 0.00 127 F 8.10 4.43 0.00 3.06 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 0.00 128 G 8.67 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 0.00 129 D 8.92 4.52 0.00 2.82 2.82 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 0.00 130 K 8.15 3.85 0.00 1.75 1.64 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.39 7.81 131 Y 8.23 4.10 0.00 3.48 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 0.00 132 A 8.28 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.72 4.40 0.00 2.95 2.89 0.00 0.00 6.86 7.80 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 0.00 134 A 7.83 3.96 1.30 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 0.00 135 W 8.55 3.87 0.00 3.63 3.37 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 0.00 136 A 8.43 4.12 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.60 3.98 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.62 7.81 138 L 7.53 3.91 0.00 1.39 1.69 0.63 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.26 3.73 2.37 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 1.26 0.00 0.00 1.21 0.00 0.00 140 A 8.03 4.57 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 0.00 141 V 7.28 3.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 142 V 7.44 3.46 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 0.46 0.00 0.00 0.45 0.00 0.00 143 Q 8.04 3.86 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 144 A 7.89 4.06 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 0.00 145 A 7.66 4.38 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 0.00 146 L 7.55 4.17 0.00 1.57 1.51 0.56 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00