NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.3610 8.2544 120.8728 56.3564 31.2177 174.4460 17 S 4.4441 9.1220 118.6064 56.4217 65.7734 175.6697 18 G 3.8456 8.1842 110.4433 48.2276 0.0000 175.7152 19 L 3.9838 7.7537 119.9923 57.0168 41.9967 179.2497 20 E 3.8000 8.2810 117.9982 59.8129 29.2290 179.2081 21 D 4.2894 8.8842 119.3234 57.2155 40.7837 179.0498 22 K 3.9604 7.7816 118.6660 59.4363 32.2469 179.6725 23 V 3.5771 8.6471 119.3862 65.1794 31.3866 178.3470 24 S 3.5237 7.5622 114.6206 61.3894 62.8791 176.7188 25 K 4.2581 7.6655 124.2533 58.3635 31.5233 179.2048 26 Q 3.9977 8.1743 119.4312 58.8593 29.1430 178.1598 27 L 4.1586 7.8513 120.0454 57.9914 41.5819 179.2704 28 E 4.0543 8.2952 118.1740 59.2822 29.1227 179.2476 29 S 4.3221 8.0487 112.2796 60.0554 62.1306 175.0777 30 K 4.5353 8.7629 119.8052 55.8042 32.5043 177.5268 31 G 4.0514 8.0494 108.4534 45.4134 0.0000 174.6534 32 I 3.6966 7.0738 119.9129 61.4183 37.4252 175.9445 33 K 4.1806 8.5607 125.1561 55.0630 31.6252 176.3107 34 F 4.8110 7.9511 119.0322 55.4635 39.6887 175.0123 35 E 4.5624 8.8500 120.9408 54.8725 29.9488 175.0527 36 Y 4.6765 8.7890 125.5281 56.8043 39.5085 174.8500 37 E 3.7988 8.4154 126.7104 57.2560 27.4139 175.8830 38 E 3.9410 7.7159 120.9512 57.8473 30.0512 176.5060 39 W 4.8351 7.9274 117.1388 54.8503 30.8528 175.3686 40 K 4.5806 8.7401 122.0077 54.5736 33.6457 175.8284 41 V 4.3010 8.2656 123.0063 60.3344 32.3630 173.6962 42 P 4.5507 0.0000 0.0000 62.9980 32.1325 174.8569 43 Y 4.6956 7.4311 115.6006 56.5813 40.1454 173.4989 44 V 4.2536 8.3995 120.2723 61.2309 33.5249 174.8534 45 I 4.4878 7.9781 126.0298 59.0354 38.5952 174.2679 46 P 4.4935 0.0000 0.0000 61.5052 32.0936 176.0170 47 A 4.2286 8.2690 122.9423 52.7985 18.8396 177.2427 48 S 4.6988 8.0889 113.1059 56.7940 66.1102 173.3830 49 N 4.7747 8.4720 119.3345 52.9777 39.4133 174.2317 50 H 5.0087 8.4183 118.0197 54.5566 33.2585 172.5791 51 T 4.7251 8.2628 109.4464 60.0767 71.7425 172.5333 52 Y 4.7511 8.5115 124.3890 56.0977 40.9696 174.5696 53 T 4.2372 7.7306 123.5422 60.5117 69.0859 171.9396 54 P 4.2822 0.0000 0.0000 61.5348 32.1547 176.7049 55 D 4.2499 8.1868 121.0905 57.0066 41.1536 177.4551 56 F 4.8388 8.4127 116.5310 55.5689 42.8559 173.3261 57 L 4.7771 8.4771 126.2197 52.7791 43.2478 175.9932 58 L 4.2859 8.2812 126.9079 53.7487 42.1609 176.9470 59 P 4.4158 0.0000 0.0000 65.1508 31.3056 177.4199 60 N 4.2529 8.1802 117.1208 55.1892 38.4938 176.2964 61 G 3.9849 7.8431 103.8880 44.7304 0.0000 173.0565 62 I 4.0677 7.4215 121.3635 60.5634 38.7696 174.7312 63 F 5.2182 9.1722 126.4913 56.4185 40.9697 174.9210 64 V 5.0055 9.2885 123.6098 61.1252 34.4041 173.5077 65 E 5.0702 9.4366 129.8175 54.7161 31.5737 174.4191 66 T 4.8519 9.0341 118.0933 60.7415 70.4050 174.1307 67 A 4.3997 8.5769 127.1624 51.7172 22.0116 174.2604 68 G 3.6494 9.3222 112.3561 46.5587 0.0000 175.1853 69 L 4.3655 9.1642 119.0729 54.5802 43.3915 175.3652 70 W 4.8116 9.2865 135.0000 55.6010 31.2872 174.2058 71 E 4.3563 8.4548 125.5994 54.5278 31.5360 176.9109 72 S 3.7358 8.5213 112.5482 62.2405 62.0126 175.9124 73 D 4.2373 7.9310 120.5627 57.6772 40.6098 178.6529 74 D 4.2287 7.7331 118.4280 57.2549 40.8383 178.8277 75 R 3.1838 6.9839 118.3277 59.0394 29.9610 179.1615 76 K 3.8624 7.6145 118.0079 59.2782 32.0033 178.8472 77 K 3.6789 8.1950 120.1660 60.2186 32.1789 178.2435 78 H 4.2238 8.3280 117.9464 59.0354 29.7529 177.2322 79 L 4.1013 7.9329 121.0117 57.2566 41.4295 179.3341 80 L 3.9245 8.3995 119.3181 57.8464 41.6423 179.2803 81 I 3.6923 8.0486 120.1052 64.7235 36.8443 178.6235 82 R 3.9592 7.5169 116.9090 59.3739 29.9098 178.7186 83 E 4.0914 7.7900 117.1257 59.0009 29.5680 178.6008 84 Q 4.3262 8.0531 116.3026 56.4015 30.8424 176.0229 85 H 4.9398 8.4126 117.2970 53.4092 29.5559 172.2872 86 P 4.3769 0.0000 0.0000 64.8667 31.9041 177.9789 87 E 4.1857 8.0281 116.6387 58.1378 29.9150 177.0385 88 L 4.1044 7.8192 119.4627 54.5401 42.1879 176.1352 89 D 4.7569 8.7319 123.5098 52.9324 42.1035 174.0913 90 I 5.0823 8.2627 126.1073 59.5432 39.2406 175.3724 91 R 4.8621 9.3217 125.7843 54.3309 34.4946 174.3710 92 I 4.7355 8.4525 121.5823 59.5929 40.2998 175.0739 93 V 4.5955 8.4605 127.3464 61.3073 32.5639 174.6261 94 F 4.7765 9.1276 127.8144 57.0238 39.8066 176.9331 95 S 4.1108 9.2846 118.5199 61.5445 63.1238 174.5939 96 S 4.5641 8.0269 114.1370 57.6863 62.8441 174.7668 97 S 3.9921 9.3843 122.0926 59.2685 62.8141 176.7116 98 R 3.9799 7.2993 120.2726 58.7777 30.3711 177.3868 99 T 3.6165 7.4613 114.7402 63.8530 68.6414 173.3534 100 K 4.6191 8.0090 124.0641 55.1517 33.3740 177.8194 101 L 4.4450 7.9531 122.7360 58.2951 42.0079 176.9590 102 Y 4.5785 7.4040 114.1119 56.0288 40.7301 172.9517 103 K 4.2244 8.9668 119.4219 56.9359 31.8227 177.1877 104 G 3.8846 8.4405 115.9926 46.2837 0.0000 172.3659 105 S 4.1158 7.3711 111.2629 56.0554 63.6573 172.3676 106 P 4.3099 0.0000 0.0000 64.9959 31.8437 176.3884 107 T 4.6489 7.8894 116.7752 61.6262 69.7264 174.3069 108 S 4.9056 8.2798 120.8497 57.2952 66.1768 174.6099 109 Y 4.5904 8.4433 121.9664 61.7646 37.7044 179.4840 110 G 2.9892 7.8369 106.0788 47.6253 0.0000 175.1002 111 E 4.0057 8.9843 122.5652 59.0693 29.3028 179.5333 112 F 4.2642 8.5011 120.2616 61.5532 39.3326 176.9673 113 C 4.3345 8.0899 116.2364 62.9663 27.4303 175.7671 114 E 4.0986 8.1237 120.5557 59.1565 29.0686 178.5379 115 K 4.0869 7.9533 117.8669 58.4655 32.3539 177.3122 116 H 4.6535 7.8115 113.6899 55.2619 29.9561 175.1547 117 G 3.9560 7.7196 108.2378 44.7469 0.0000 173.4558 118 I 4.1625 7.8819 121.5317 60.5837 37.7226 176.2035 119 K 4.5287 8.8565 128.2493 56.5097 32.8212 176.3275 120 F 5.9001 8.9781 118.8388 55.6950 41.6569 172.9581 121 A 4.5230 9.2910 120.5958 50.8724 23.4042 173.9775 122 D 5.2448 8.3355 117.2807 53.8556 43.3705 177.7951 123 K 3.6696 9.6479 123.7606 58.0194 32.2128 175.5134 124 L 4.6388 8.1804 115.7853 52.5882 45.6044 176.0357 125 I 3.5287 8.0401 122.6171 60.1950 37.2970 175.1888 126 P 4.1733 0.0000 0.0000 62.0493 33.1166 177.4096 127 A 3.9553 8.2563 121.4626 55.4461 18.2459 179.6761 128 E 3.9290 8.2237 115.4041 59.8225 29.9351 179.0876 129 W 4.5354 8.5460 117.8750 60.5927 28.9219 178.5744 130 I 4.0508 7.4148 119.3057 63.5023 36.6878 177.9495 131 K 4.1824 8.4310 119.0503 57.0585 32.3701 176.9006 132 E 4.1860 7.1916 118.0412 56.0421 30.0176 174.7981 133 P 4.5824 0.0000 0.0000 61.7125 32.6100 175.8561 134 K 4.3759 8.3734 120.8748 56.6907 32.7406 176.0442 135 K 4.7519 8.6551 125.7543 54.1928 35.4186 175.9859 136 E 4.1185 8.8650 123.3741 56.5291 30.0810 176.4270 137 V 4.1599 8.2751 124.0418 60.4211 33.5723 174.5277 138 P 4.5854 0.0000 0.0000 61.4227 30.1463 176.4237 139 F 4.2777 7.9961 125.2087 60.4326 39.6936 176.9203 140 D 4.4223 8.4746 119.8694 57.3255 40.7481 177.4705 141 R 4.3012 8.1334 115.0413 56.3968 30.5753 175.8006 142 L 4.6768 7.5572 119.9182 53.2712 44.2590 176.2591 143 K 4.6001 8.1590 120.0214 52.8315 34.8808 174.7612 144 R 4.2449 8.3939 123.9214 55.0973 31.1832 175.9907 145 K 4.1618 8.5905 121.0716 56.5425 32.7135 175.8886 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 16 R 8.25 4.36 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 17 S 9.12 4.44 0.00 3.88 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 18 G 8.18 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.75 3.98 0.00 1.69 1.71 0.92 0.87 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 20 E 8.28 3.80 0.00 2.22 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 2.56 2.48 0.00 21 D 8.88 4.29 0.00 2.88 2.68 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 22 K 7.78 3.96 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 23 V 8.65 3.58 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 0.95 0.00 0.00 0.93 0.00 0.00 24 S 7.56 3.52 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 25 K 7.67 4.26 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.39 7.81 26 Q 8.17 4.00 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 L 7.85 4.16 0.00 1.94 1.90 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.30 4.05 0.00 2.12 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 2.44 2.72 0.00 29 S 8.05 4.32 0.00 4.02 4.07 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 30 K 8.76 4.54 0.00 1.93 1.79 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 31 G 8.05 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 0.00 0.00 0.00 0.00 32 I 7.07 3.70 1.96 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 1.34 0.61 0.99 0.00 0.00 33 K 8.56 4.18 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 F 7.95 4.81 0.00 3.19 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 35 E 8.85 4.56 0.00 2.16 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 2.28 2.38 0.00 36 Y 8.79 4.68 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 37 E 8.42 3.80 0.00 1.24 1.68 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 1.96 1.72 0.00 38 E 7.72 3.94 0.00 1.98 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 0.00 1.47 1.67 0.00 39 W 7.93 4.84 0.00 3.35 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 40 K 8.74 4.58 0.00 1.79 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 41 V 8.27 4.30 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 0.91 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.55 0.00 2.22 2.04 0.00 3.92 0.00 0.00 3.88 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 43 Y 7.43 4.70 0.00 3.09 2.97 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 44 V 8.40 4.25 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 0.85 0.00 0.00 0.93 0.00 0.00 45 I 7.98 4.49 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.96 0.00 0.00 46 P 0.00 4.49 0.00 2.05 2.00 0.00 3.72 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 2.04 2.10 0.00 47 A 8.27 4.23 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 48 S 8.09 4.70 0.00 3.91 3.81 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 49 N 8.47 4.77 0.00 2.71 2.78 0.00 0.00 6.73 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 50 H 8.42 5.01 0.00 3.09 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.26 4.73 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 1.23 0.00 0.00 52 Y 8.51 4.75 0.00 2.96 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 53 T 7.73 4.24 4.07 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 1.07 0.00 0.00 54 P 0.00 4.28 0.00 2.28 1.97 0.00 2.96 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.24 0.00 55 D 8.19 4.25 0.00 2.99 2.23 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 56 F 8.41 4.84 0.00 3.34 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 57 L 8.48 4.78 0.00 1.29 1.51 0.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.28 4.29 0.00 1.73 1.57 0.98 0.72 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 59 P 0.00 4.42 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 60 N 8.18 4.25 0.00 2.77 2.89 0.00 0.00 7.35 7.91 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 61 G 7.84 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 0.00 0.00 0.00 62 I 7.42 4.07 1.80 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 1.16 0.70 0.77 0.00 0.00 63 F 9.17 5.22 0.00 3.26 2.97 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 64 V 9.29 5.01 2.31 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 1.13 0.00 0.00 1.15 0.00 0.00 65 E 9.44 5.07 0.00 2.29 1.82 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 2.27 2.19 0.00 66 T 9.03 4.85 4.33 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 1.47 0.00 0.00 67 A 8.58 4.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.32 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 69 L 9.16 4.37 0.00 1.75 1.74 1.00 1.06 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 70 W 9.29 4.81 0.00 2.93 1.88 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 71 E 8.45 4.36 0.00 2.01 1.80 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 0.00 2.32 2.29 0.00 72 S 8.52 3.74 0.00 3.72 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 73 D 7.93 4.24 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.23 0.00 2.31 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 75 R 6.98 3.18 0.00 1.40 1.29 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 76 K 7.61 3.86 0.00 1.82 1.77 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 77 K 8.20 3.68 0.00 1.84 1.78 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.15 1.36 7.81 78 H 8.33 4.22 0.00 3.40 3.63 0.00 5.83 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 79 L 7.93 4.10 0.00 1.95 1.70 0.92 0.44 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 80 L 8.40 3.92 0.00 1.81 1.67 0.87 0.80 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 81 I 8.05 3.69 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.59 0.94 0.00 0.00 82 R 7.52 3.96 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 83 E 7.79 4.09 0.00 2.06 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 0.00 2.33 2.57 0.00 84 Q 8.05 4.33 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 85 H 8.41 4.94 0.00 3.15 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.38 0.00 2.03 2.11 0.00 3.67 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 2.01 2.09 0.00 87 E 8.03 4.19 0.00 1.95 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 2.30 2.33 0.00 88 L 7.82 4.10 0.00 1.65 1.61 0.70 0.80 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 89 D 8.73 4.76 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 5.08 2.02 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 1.37 0.84 1.12 0.00 0.00 91 R 9.32 4.86 0.00 1.13 1.61 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.00 92 I 8.45 4.74 1.13 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.45 -0.58 0.00 0.00 93 V 8.46 4.60 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 0.95 0.00 0.00 0.95 0.00 0.00 94 F 9.13 4.78 0.00 3.22 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 95 S 9.28 4.11 0.00 3.95 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 96 S 8.03 4.56 0.00 3.88 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 97 S 9.38 3.99 0.00 3.71 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.30 3.98 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 99 T 7.46 3.62 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 0.71 0.00 0.00 100 K 8.01 4.62 0.00 1.61 1.50 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.26 7.81 101 L 7.95 4.44 0.00 1.81 1.95 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.40 4.58 0.00 3.27 2.97 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 0.00 103 K 8.97 4.22 0.00 1.91 1.88 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 104 G 8.44 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 0.00 105 S 7.37 4.12 0.00 2.72 3.23 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 0.00 106 P 0.00 4.31 0.00 2.20 2.14 0.00 3.68 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 1.97 1.98 0.00 107 T 7.89 4.65 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 1.35 0.00 0.00 108 S 8.28 4.91 0.00 4.11 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 0.00 109 Y 8.44 4.59 0.00 2.32 2.23 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 0.00 110 G 7.84 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.98 4.01 0.00 2.17 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 0.00 2.37 2.37 0.00 112 F 8.50 4.26 0.00 3.23 3.40 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 0.00 113 C 8.09 4.33 0.00 2.60 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 0.00 114 E 8.12 4.10 0.00 2.34 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 2.39 2.44 0.00 115 K 7.95 4.09 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 116 H 7.81 4.65 0.00 3.02 3.22 0.00 5.88 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.72 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 0.00 0.00 0.00 118 I 7.88 4.16 2.15 0.00 0.00 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 1.51 0.75 1.00 0.00 0.00 119 K 8.86 4.53 0.00 1.71 1.71 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.57 7.81 120 F 8.98 5.90 0.00 3.48 3.19 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 0.00 121 A 9.29 4.52 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.34 5.24 0.00 2.76 2.50 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 0.00 123 K 9.65 3.67 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.59 7.81 124 L 8.18 4.64 0.00 1.39 1.36 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.04 3.53 1.76 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 1.43 0.34 0.99 0.00 0.00 126 P 0.00 4.17 0.00 1.43 1.58 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.52 0.00 127 A 8.26 3.96 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 0.00 128 E 8.22 3.93 0.00 2.13 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 0.00 2.35 2.44 0.00 129 W 8.55 4.54 0.00 3.54 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 0.00 130 I 7.41 4.05 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.92 0.00 0.00 131 K 8.43 4.18 0.00 1.92 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 132 E 7.19 4.19 0.00 2.20 1.86 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 2.37 2.66 0.00 133 P 0.00 4.58 0.00 2.17 2.04 0.00 3.76 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 1.97 1.94 0.00 134 K 8.37 4.38 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 135 K 8.66 4.75 0.00 1.58 1.63 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.35 7.81 136 E 8.86 4.12 0.00 1.85 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 2.32 2.26 0.00 137 V 8.28 4.16 1.61 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 -0.18 0.00 0.00 0.77 0.00 0.00 138 P 0.00 4.59 0.00 2.23 2.16 0.00 3.59 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 1.98 1.94 0.00 139 F 8.00 4.28 0.00 3.23 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 0.00 140 D 8.47 4.42 0.00 2.66 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 0.00 141 R 8.13 4.30 0.00 1.77 1.97 0.00 3.21 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 142 L 7.56 4.68 0.00 1.77 1.63 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.16 4.60 0.00 1.71 1.52 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.95 7.81 144 R 8.39 4.24 0.00 1.78 1.86 0.00 3.15 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 145 K 8.59 4.16 0.00 1.81 2.10 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.35 7.81