NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8881 8.3501 109.7340 45.9104 0.0000 174.8343 2 A 4.2918 8.6563 123.1801 51.0398 20.8553 174.8723 3 M 3.1951 8.0522 113.6589 55.8527 30.6176 175.3515 4 M 4.1657 8.1479 114.2339 54.9023 31.8685 174.6341 5 P 4.3205 0.0000 0.0000 65.9996 31.8037 177.7761 6 V 3.8568 7.4499 111.2036 59.5420 32.1603 174.2263 7 P 4.4117 0.0000 0.0000 62.1247 31.9010 176.0439 8 N 4.4275 8.5991 118.0863 52.5600 37.6725 173.3966 9 P 4.3488 0.0000 0.0000 65.9482 31.7228 177.4620 10 T 3.9773 7.6813 108.8429 61.5952 69.0207 172.8839 11 M 4.7353 8.0153 120.2652 53.2343 33.8291 172.5218 12 P 4.3781 0.0000 0.0000 62.3862 32.2269 176.4584 13 V 3.6326 8.1398 121.2783 62.3937 32.0463 175.6845 14 K 4.0971 8.6348 126.2209 57.5334 31.6377 175.1029 15 G 4.1904 8.4718 113.7898 45.7062 0.0000 172.3174 16 A 4.7324 7.9771 121.9593 49.8991 21.1103 177.1178 17 G 3.9012 8.3835 111.8043 44.7517 0.0000 171.4795 18 T 4.3134 7.9773 121.6969 63.3954 69.7882 173.3597 19 T 5.1715 8.3764 120.3141 60.6291 71.4609 172.1562 20 L 4.4325 8.2497 127.0202 54.5119 42.7124 175.4712 21 W 5.8476 8.9817 120.9353 55.0491 33.4792 174.5880 22 V 5.1280 9.3987 122.4029 60.1515 33.7466 174.0855 23 Y 5.4532 8.1537 120.2811 54.4957 40.9994 174.5716 24 K 4.2938 8.6286 118.8449 54.6973 36.4336 175.9608 25 G 4.0330 10.1532 105.3121 44.5969 0.0000 173.0684 26 S 4.4548 8.3550 116.8280 57.6188 65.4082 173.7747 27 G 3.7406 8.7152 113.6590 47.2492 0.0000 173.6946 28 D 4.3432 8.5725 123.3641 53.9062 38.0395 171.6532 29 P 4.3981 0.0000 0.0000 66.3135 32.1695 177.9088 30 Y 4.3592 7.7836 113.9324 58.0746 39.6620 176.6494 31 A 4.1053 7.9967 121.8333 54.6502 18.8134 178.0186 32 N 4.9496 7.3819 111.7368 52.3039 39.9132 173.2372 33 P 4.8430 0.0000 0.0000 63.8854 32.2893 179.2011 34 L 3.6099 7.8032 120.5158 58.0516 41.8930 177.7733 35 S 4.1130 7.4521 112.9929 60.8932 62.8841 174.1317 36 D 4.5694 7.5779 119.0401 54.1291 39.2298 176.9713 37 V 4.3610 8.1286 110.1946 61.5741 31.8796 177.5959 38 D 4.3336 8.2906 120.1444 55.1596 40.9270 175.9790 39 W 4.5894 7.5462 130.0060 58.4874 31.3700 175.6268 40 S 4.3873 9.4257 123.0749 56.5980 66.0909 173.6426 41 R 4.6150 8.2909 122.3154 56.6298 29.6843 176.3931 42 L 4.3213 8.6459 122.4469 55.4002 42.8776 176.3331 43 A 4.5339 7.2670 117.2128 51.3687 23.0160 174.2984 44 K 4.4461 8.2185 118.2659 56.6729 34.2102 176.3496 45 V 4.3682 8.3684 125.3664 60.0656 32.1623 175.6851 46 K 4.1391 8.8331 128.0987 59.1043 32.3764 175.9234 47 D 4.7416 7.8081 117.0121 52.9556 45.2815 172.8681 48 L 4.7607 8.2377 122.3358 53.6637 45.4240 176.0780 49 T 4.4928 9.0464 123.7995 60.8743 69.5980 171.1737 50 P 4.6664 0.0000 0.0000 62.1348 28.8210 176.5484 51 G 3.7681 8.0473 116.7588 45.9063 0.0000 170.4574 52 E 4.4604 8.4117 118.7147 55.3527 30.9543 176.0044 53 L 4.5769 8.3125 116.9312 54.8837 42.3649 176.9482 54 T 3.9074 7.9666 106.8567 62.3114 67.6266 171.5691 55 A 4.6655 7.2373 124.9385 52.2693 21.2062 177.8302 56 E 4.6008 8.5412 116.4269 56.5867 29.8573 176.3738 57 S 4.6507 7.7786 112.7717 57.8225 63.7518 171.9805 58 Y 4.5389 7.8194 123.3074 56.6048 41.1870 173.5992 59 D 4.4319 7.0238 122.9566 53.6484 41.4183 175.6236 60 D 4.4782 8.6088 119.3274 55.8792 40.9600 177.4313 61 S 4.7155 8.4570 121.1406 57.4678 62.9739 173.3731 62 Y 4.3406 7.9939 116.3236 56.7708 38.5647 175.0723 63 L 4.3298 7.8263 117.7540 54.8493 44.7268 173.7154 64 D 4.5491 8.7894 126.4581 53.7312 41.9750 175.5980 65 D 4.1789 8.5087 114.0313 54.0094 40.7088 176.0645 66 E 3.6851 9.6613 122.5179 56.6503 27.4392 174.3689 67 D 4.2081 8.1277 114.5458 55.3336 37.7329 173.4075 68 A 4.1738 7.4004 119.6100 52.5056 19.2317 177.6116 69 D 4.7375 7.9412 116.1698 53.5198 41.2117 176.9246 70 W 3.8572 7.5737 111.4389 58.0103 27.1740 176.4720 71 T 4.0452 7.4682 117.9911 66.2607 68.0352 174.9727 72 A 4.7754 7.7059 122.1531 50.6512 22.1277 175.1034 73 T 4.7837 8.4403 111.5752 59.7638 72.0552 173.2710 74 G 4.1482 8.4424 112.2697 43.9491 0.0000 173.3128 75 Q 4.4604 8.3266 119.5675 55.3095 31.0524 173.6260 76 G 4.3019 8.6938 111.0542 43.7524 0.0000 171.8659 77 Q 4.5938 8.2520 115.4638 55.0434 29.1741 175.8302 78 K 3.8217 8.2380 120.1803 58.1818 32.3072 176.3793 79 S 4.6111 8.5530 123.2140 56.9974 62.2043 172.7231 80 A 4.5758 8.0947 126.7259 49.5717 22.2445 175.9727 81 G 4.1542 7.6937 125.2300 45.2563 0.0000 171.5794 82 D 4.7545 7.4936 118.9056 54.3949 40.9061 177.8311 83 T 4.3606 8.8404 115.0068 62.4035 72.5868 173.1178 84 S 4.7750 8.4362 122.2052 56.6545 64.0827 172.9183 85 F 5.3418 8.2103 121.9018 55.6372 41.5967 173.8910 86 T 4.6444 8.4325 118.2463 63.1040 70.1715 173.7757 87 L 5.4422 8.9551 123.7787 53.2500 46.2102 175.3346 88 A 5.0730 8.3249 120.2659 50.5849 22.6736 175.5655 89 W 4.5535 9.3438 133.1408 55.9023 33.1647 175.1013 90 M 4.7113 8.3209 126.9834 53.5365 33.8577 174.1547 91 P 4.1846 0.0000 0.0000 66.2731 30.8400 175.5520 92 G 3.9099 8.4047 113.1401 45.6147 0.0000 171.7684 93 E 4.1936 6.7613 119.6355 54.5509 31.4225 175.0837 94 Q 4.9956 8.9524 116.9732 54.1286 32.4689 175.7253 95 G 4.7046 9.3664 119.8327 46.6039 0.0000 174.3121 96 Q 3.5998 7.9611 120.5533 59.3561 28.4427 178.6514 97 Q 3.9800 8.1745 117.6270 59.4567 28.3303 178.8530 98 A 3.9899 7.9170 121.9790 55.0872 18.5725 179.3806 99 L 4.2140 8.1413 117.1861 58.0005 41.7598 179.2825 100 L 4.0073 8.1186 120.1016 58.5273 41.8676 179.0475 101 A 4.0768 8.4454 120.6584 54.6114 18.3323 179.2955 102 W 4.3212 8.4901 127.1762 60.9984 30.6551 178.1017 103 F 4.3141 8.5249 119.2278 61.2610 38.9297 176.3824 104 N 4.4236 8.5442 116.1986 56.2951 38.7574 176.3684 105 E 4.0711 8.5297 120.7654 58.2758 30.5361 177.5390 106 G 3.7257 8.1180 104.1131 46.8436 0.0000 172.3746 107 D 4.9998 7.8661 115.7416 52.1105 45.4273 177.0217 108 T 4.5195 8.5554 116.6368 64.3182 69.3736 173.8260 109 R 4.8637 9.3840 123.0304 55.1307 34.4528 173.4298 110 A 5.2539 8.6849 125.2554 50.4013 21.5915 174.8944 111 Y 5.5565 8.8957 120.4650 55.6253 42.5741 174.3286 112 K 5.1774 9.5053 117.5471 55.7137 36.5537 175.0432 113 I 4.4600 8.6562 123.1520 59.2474 40.1007 174.9443 114 R 4.4882 7.2931 123.3961 55.8431 30.6724 176.1682 115 F 4.6916 8.8910 121.2024 55.2623 41.1423 175.3081 116 P 4.4529 0.0000 0.0000 65.2643 31.3886 177.2517 117 N 4.4576 8.2243 115.3554 54.4677 38.7307 175.7532 118 G 4.0001 8.2613 106.2623 45.3312 0.0000 173.3159 119 T 4.6022 7.5502 115.0036 60.7019 69.7478 172.7769 120 V 5.0594 7.9242 118.7191 60.6657 34.4944 173.5362 121 D 5.0176 9.2594 123.0065 52.6361 43.7435 174.9770 122 V 4.7206 8.3256 123.3815 61.5070 33.0667 174.9094 123 F 4.7214 9.4007 125.7084 55.8893 43.5313 173.8179 124 R 5.0332 9.0458 119.9473 54.3272 34.1325 173.7277 125 G 4.1892 8.1807 106.1193 43.5483 0.0000 172.5020 126 W 5.1872 8.5017 116.1022 54.0340 30.2556 175.4467 127 V 3.2850 8.0594 121.4488 62.9101 31.3898 175.4211 128 S 4.3452 7.7783 119.8193 57.9997 64.0180 174.2043 129 S 4.4396 7.4840 115.8700 56.8148 61.6052 172.2063 130 I 4.4263 7.5871 123.9439 59.6730 41.8718 173.6720 131 G 4.0339 8.5684 115.9168 45.3889 0.0000 174.8661 132 K 4.4381 9.0377 116.5431 54.7362 35.2430 175.2852 133 A 4.7033 8.0662 121.5630 50.2392 21.2357 176.4881 134 V 3.9129 8.5498 122.4390 62.7140 33.0299 174.8020 135 T 5.1534 8.4140 123.9348 61.8419 70.5816 173.9907 136 A 4.4460 9.4498 128.3604 52.2435 22.9362 176.2393 137 K 3.9719 9.3423 122.1191 58.4414 29.5321 174.7563 138 E 3.9014 8.2758 109.2773 57.0665 27.8989 175.1194 139 V 4.5242 7.8238 117.1832 61.3681 35.0636 174.1568 140 I 5.0558 8.8128 128.7269 60.5881 39.3430 174.8678 141 T 5.1716 9.0129 115.0153 60.6340 72.6796 172.7208 142 R 4.6223 8.7926 121.6909 55.7604 34.3441 173.2551 143 T 4.4627 8.5048 121.6163 61.1878 68.2368 173.5700 144 V 4.0838 8.0558 129.1908 60.8269 34.1119 174.2891 145 K 4.4316 7.7972 127.2873 54.5027 35.6214 174.5821 146 V 4.1029 8.6064 128.4498 61.8169 32.8915 174.4839 147 T 4.6431 7.1700 117.5805 59.7982 70.3928 174.2701 148 N 4.8153 8.7603 124.0894 52.5628 39.8413 174.1256 149 V 4.5423 8.4860 119.1611 61.8433 33.3584 173.6463 150 G 4.1407 7.9319 119.6518 45.2973 0.0000 175.4491 151 R 4.2627 8.6634 123.8408 54.3758 30.6968 174.6838 152 P 4.5235 0.0000 0.0000 62.2465 32.5261 175.6583 153 S 4.2897 8.3500 112.9107 58.0793 62.8148 173.4584 154 M 4.1803 8.3635 120.7706 55.5606 31.3614 177.0719 155 A 4.3177 8.1554 123.2106 51.4391 17.5972 177.2505 156 E 4.1288 8.1854 120.9398 56.3600 29.6563 174.8788 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 G 8.35 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 2 A 8.66 4.29 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 3 M 8.05 3.20 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 4 M 8.15 4.17 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 5 P 0.00 4.32 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 6 V 7.45 3.86 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 0.69 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.41 0.00 2.17 2.04 0.00 3.78 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 1.98 1.95 0.00 8 N 8.60 4.43 0.00 2.84 2.88 0.00 0.00 6.28 7.69 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 9 P 0.00 4.35 0.00 2.20 2.21 0.00 3.77 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 1.98 1.95 0.00 10 T 7.68 3.98 4.24 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 1.21 0.00 0.00 11 M 8.02 4.74 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 12 P 0.00 4.38 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 13 V 8.14 3.63 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 0.91 0.00 0.00 0.94 0.00 0.00 14 K 8.63 4.10 0.00 1.79 1.79 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 15 G 8.47 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 0.00 0.00 0.00 16 A 7.98 4.73 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 17 G 8.38 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 18 T 7.98 4.31 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 1.05 0.00 0.00 19 T 8.38 5.17 4.40 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 1.66 0.00 0.00 20 L 8.25 4.43 0.00 1.81 1.53 0.35 1.27 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 21 W 8.98 5.85 0.00 3.62 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 22 V 9.40 5.13 2.15 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 0.90 0.00 0.00 0.94 0.00 0.00 23 Y 8.15 5.45 0.00 3.12 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 24 K 8.63 4.29 0.00 1.57 1.68 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.20 1.32 7.81 25 G 10.15 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 0.00 0.00 0.00 26 S 8.35 4.45 0.00 3.80 3.70 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 27 G 8.72 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 28 D 8.57 4.34 0.00 2.93 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 29 P 0.00 4.40 0.00 1.80 2.25 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 30 Y 7.78 4.36 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.00 4.11 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 32 N 7.38 4.95 0.00 2.74 2.62 0.00 0.00 6.79 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 33 P 0.00 4.84 0.00 1.77 1.73 0.00 3.80 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.46 0.00 34 L 7.80 3.61 0.00 1.51 1.67 0.68 0.80 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 35 S 7.45 4.11 0.00 3.83 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 36 D 7.58 4.57 0.00 3.01 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 37 V 8.13 4.36 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 0.97 0.00 0.00 0.95 0.00 0.00 38 D 8.29 4.33 0.00 2.93 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 39 W 7.55 4.59 0.00 3.14 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 40 S 9.43 4.39 0.00 4.07 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 41 R 8.29 4.61 0.00 2.06 1.89 0.00 2.84 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 42 L 8.65 4.32 0.00 1.87 1.94 1.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.27 4.53 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 44 K 8.22 4.45 0.00 1.88 1.99 0.00 1.47 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.48 7.81 45 V 8.37 4.37 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 0.69 0.00 0.00 1.02 0.00 0.00 46 K 8.83 4.14 0.00 1.83 1.88 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.40 7.81 47 D 7.81 4.74 0.00 2.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.24 4.76 0.00 1.45 1.22 0.80 0.89 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 49 T 9.05 4.49 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 1.21 0.00 0.00 50 P 0.00 4.67 0.00 2.19 2.21 0.00 3.84 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 2.06 2.12 0.00 51 G 8.05 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 52 E 8.41 4.46 0.00 2.12 2.02 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 2.28 2.32 0.00 53 L 8.31 4.58 0.00 1.87 2.02 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.97 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 55 A 7.24 4.67 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 56 E 8.54 4.60 0.00 1.98 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 2.25 2.29 0.00 57 S 7.78 4.65 0.00 3.85 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 58 Y 7.82 4.54 0.00 2.86 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 59 D 7.02 4.43 0.00 2.39 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.61 4.48 0.00 2.84 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 61 S 8.46 4.72 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.99 4.34 0.00 3.12 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 63 L 7.83 4.33 0.00 1.47 1.52 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.79 4.55 0.00 2.68 2.51 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 65 D 8.51 4.18 0.00 2.73 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 66 E 9.66 3.69 0.00 2.12 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 0.00 2.19 2.24 0.00 67 D 8.13 4.21 0.00 2.79 2.69 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 68 A 7.40 4.17 1.16 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 69 D 7.94 4.74 0.00 2.78 2.69 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 70 W 7.57 3.86 0.00 3.46 3.30 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 71 T 7.47 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 72 A 7.71 4.78 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 73 T 8.44 4.78 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 1.49 0.00 0.00 74 G 8.44 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 0.00 0.00 0.00 0.00 75 Q 8.33 4.46 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 76 G 8.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.25 4.59 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 78 K 8.24 3.82 0.00 1.74 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.57 7.81 79 S 8.55 4.61 0.00 4.07 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 80 A 8.09 4.58 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 81 G 7.69 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 0.00 0.00 0.00 0.00 82 D 7.49 4.75 0.00 2.67 2.67 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 83 T 8.84 4.36 4.50 0.00 0.00 0.00 0.00 0.00 0.00 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 84 S 8.44 4.78 0.00 3.94 3.66 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 85 F 8.21 5.34 0.00 3.09 2.95 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 86 T 8.43 4.64 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 1.20 0.00 0.00 87 L 8.96 5.44 0.00 1.73 1.62 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.32 5.07 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 89 W 9.34 4.55 0.00 3.36 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 90 M 8.32 4.71 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 91 P 0.00 4.18 0.00 2.06 2.14 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 92 G 8.40 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 93 E 6.76 4.19 0.00 1.16 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 2.00 1.89 0.00 94 Q 8.95 5.00 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.26 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 95 G 9.37 4.70 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 0.00 0.00 0.00 96 Q 7.96 3.60 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.40 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 97 Q 8.17 3.98 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 98 A 7.92 3.99 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 99 L 8.14 4.21 0.00 1.85 1.78 1.05 0.63 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 0.00 100 L 8.12 4.01 0.00 1.83 1.72 0.90 0.92 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 0.00 101 A 8.45 4.08 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 0.00 102 W 8.49 4.32 0.00 3.79 3.26 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 0.00 103 F 8.52 4.31 0.00 3.13 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 0.00 104 N 8.54 4.42 0.00 2.96 3.12 0.00 0.00 7.28 7.34 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 0.00 105 E 8.53 4.07 0.00 2.13 2.25 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 2.37 2.51 0.00 106 G 8.12 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 0.00 107 D 7.87 5.00 0.00 2.59 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 0.00 108 T 8.56 4.52 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 1.43 0.00 0.00 109 R 9.38 4.86 0.00 2.30 2.42 0.00 3.02 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.69 0.00 110 A 8.68 5.25 1.10 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 0.00 111 Y 8.90 5.56 0.00 3.32 3.30 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 0.00 112 K 9.51 5.18 0.00 1.80 1.98 0.00 1.30 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.70 7.81 113 I 8.66 4.46 1.75 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.65 0.58 0.00 0.00 114 R 7.29 4.49 0.00 1.90 1.44 0.00 3.37 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 115 F 8.89 4.69 0.00 3.03 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 0.00 116 P 0.00 4.45 0.00 2.23 2.21 0.00 4.06 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 117 N 8.22 4.46 0.00 2.79 2.93 0.00 0.00 7.21 7.69 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 0.00 118 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.55 4.60 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 1.11 0.00 0.00 120 V 7.92 5.06 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 0.74 0.00 0.00 0.90 0.00 0.00 121 D 9.26 5.02 0.00 2.99 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 0.00 122 V 8.33 4.72 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 1.24 0.00 0.00 1.00 0.00 0.00 123 F 9.40 4.72 0.00 2.52 2.56 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 0.00 124 R 9.05 5.03 0.00 1.72 2.02 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 125 G 8.18 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 0.00 0.00 0.00 126 W 8.50 5.19 0.00 3.74 3.26 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 0.00 127 V 8.06 3.28 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.76 0.00 0.00 128 S 7.78 4.35 0.00 2.72 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 0.00 129 S 7.48 4.44 0.00 3.87 3.58 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 0.00 130 I 7.59 4.43 1.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.66 0.00 0.00 131 G 8.57 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 0.00 0.00 0.00 132 K 9.04 4.44 0.00 1.79 1.72 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.34 7.81 133 A 8.07 4.70 1.16 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 0.00 134 V 8.55 3.91 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 1.01 0.00 0.00 0.97 0.00 0.00 135 T 8.41 5.15 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 1.24 0.00 0.00 136 A 9.45 4.45 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 0.00 137 K 9.34 3.97 0.00 1.87 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 138 E 8.28 3.90 0.00 2.09 2.02 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 2.24 2.28 0.00 139 V 7.82 4.52 2.25 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 0.91 0.00 0.00 0.98 0.00 0.00 140 I 8.81 5.06 2.24 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.98 0.00 0.00 141 T 9.01 5.17 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 1.24 0.00 0.00 142 R 8.79 4.62 0.00 1.83 1.72 0.00 3.08 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 143 T 8.50 4.46 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 1.11 0.00 0.00 144 V 8.06 4.08 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 0.54 0.00 0.00 0.77 0.00 0.00 145 K 7.80 4.43 0.00 1.60 1.33 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.25 7.81 146 V 8.61 4.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 147 T 7.17 4.64 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 1.02 0.00 0.00 148 N 8.76 4.82 0.00 2.84 2.98 0.00 0.00 7.11 7.90 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 0.00 149 V 8.49 4.54 2.20 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 0.95 0.00 0.00 1.16 0.00 0.00 150 G 7.93 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 0.00 151 R 8.66 4.26 0.00 1.82 1.89 0.00 3.28 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 152 P 0.00 4.52 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 153 S 8.35 4.29 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.36 4.18 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 155 A 8.16 4.32 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 0.00 156 E 8.19 4.13 0.00 2.13 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 2.22 2.23 0.00