NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.4750 8.4093 118.2028 53.1984 38.5331 172.4704 4 Y 4.7475 7.1487 116.0472 54.6579 41.3041 171.2536 5 T 4.7857 9.1401 110.4184 60.3008 73.2112 173.3064 6 Y 5.0724 8.7636 118.2137 57.0263 39.8078 175.4138 7 I 4.8991 8.7853 121.7972 59.3462 41.7656 175.2672 8 K 4.7583 9.4351 128.3169 54.9332 33.6724 176.4590 9 P 4.4802 0.0000 0.0000 65.9621 31.2934 178.5507 10 E 4.4645 8.4761 118.2887 59.1185 29.4892 179.2997 11 E 3.9777 8.2550 117.6021 59.4500 29.5043 179.1416 12 L 3.9755 8.1953 120.4515 58.0430 42.1421 179.3375 13 V 3.5627 8.3934 112.8833 64.2047 31.1190 178.1444 14 E 3.9170 7.8385 117.5829 59.4240 29.1152 178.9522 15 L 4.0595 7.7747 119.8920 58.2769 41.9835 179.0890 16 L 4.0867 7.8817 117.6758 57.5150 41.6740 178.4332 17 D 4.6394 8.5738 116.8573 54.0319 41.2854 175.4308 18 N 4.9370 7.3198 118.9676 50.8462 40.9656 173.3505 19 P 4.2982 0.0000 0.0000 65.6684 31.2090 178.4916 20 D 4.2807 8.0780 116.3119 57.5857 41.1995 178.1475 21 S 4.2471 8.1275 115.0826 61.7537 62.7892 176.6787 22 L 3.9239 8.4577 123.2104 58.1232 41.7244 179.4137 23 V 3.7364 7.6520 117.3452 64.0268 31.4559 177.3918 24 K 4.2645 7.7868 117.5266 55.7900 32.3122 175.5060 25 A 5.2824 7.4423 121.0762 49.8763 21.7555 175.5900 26 A 4.6662 9.0942 122.9808 49.9863 22.4786 175.2529 27 V 4.4201 8.1455 120.9132 61.2241 33.9770 174.3403 28 I 4.3201 8.2848 129.4410 59.4829 39.2202 174.3434 29 D 4.5149 8.8528 129.0968 53.4080 42.1937 175.9764 30 C 5.1496 8.8955 123.4640 59.0040 29.4308 174.4503 31 R 4.5460 8.0553 119.2784 55.7661 30.5764 174.7379 32 D 4.6502 8.6163 116.7729 53.7040 41.1476 176.4303 33 S 4.4170 8.5475 116.9850 58.1518 64.8380 174.9523 34 D 4.7743 7.7306 120.2529 53.1227 40.1524 177.9851 35 R 3.7340 7.8762 121.8563 60.0065 30.1157 177.5566 36 D 4.9033 7.9260 113.3339 54.9920 40.8117 176.5463 37 C 4.1516 8.0704 121.6898 60.4879 31.6597 174.0474 38 G 4.2011 6.3755 107.6117 46.3923 0.0000 171.5192 39 F 3.8365 6.9184 115.2417 55.7482 42.0609 172.5074 40 I 4.8732 8.2902 119.8152 59.8920 38.4704 176.6010 41 V 3.5737 8.3715 126.1862 62.9012 31.6219 175.6463 42 N 4.1416 8.7740 117.6120 53.7713 36.2208 174.5671 43 S 4.3259 7.6802 113.0602 58.8773 63.9566 173.8499 44 I 4.0762 8.8134 123.6095 60.1639 38.5180 174.4336 45 N 4.8662 8.5813 126.8105 53.4398 39.6033 174.5617 46 M 4.6416 8.4346 127.4949 51.9967 33.2917 171.2705 47 P 4.6529 0.0000 0.0000 63.0833 31.7155 177.5942 48 T 4.0603 8.7647 123.0738 66.5468 68.6913 176.6639 49 I 3.5408 7.8513 120.4436 63.1826 38.1049 176.0861 50 S 4.6946 7.5005 110.5521 57.4449 64.1444 173.9879 51 C 4.3058 8.1157 119.6319 59.9328 28.6904 172.7088 52 T 4.7915 7.9678 111.6650 59.0902 71.9283 174.4475 53 E 4.0854 9.0246 121.6818 59.9013 29.3481 178.5843 54 E 4.2241 8.2326 118.2151 59.2113 29.7251 178.4556 55 M 4.0371 8.0071 119.0844 58.6313 31.9110 178.2645 56 Y 4.2402 7.9473 116.2316 60.7940 38.0674 178.1012 57 E 4.0516 8.2026 119.6265 59.2890 29.5995 179.4781 58 K 4.0333 8.5385 119.0059 59.2180 32.0635 178.8886 59 L 3.9513 8.0590 120.4540 58.3447 42.0286 178.6116 60 A 4.2135 8.5901 120.7707 55.3280 18.2635 179.3899 61 K 3.9255 8.2693 119.0699 59.5367 32.2440 178.9872 62 T 3.9000 8.4138 116.2090 66.7835 68.3604 176.5499 63 L 4.0624 8.4753 121.0214 57.1240 41.7062 178.9375 64 F 4.0388 8.1767 120.8863 61.4877 39.0336 176.7500 65 E 3.7962 7.9717 116.8511 59.5585 29.4556 178.7138 66 E 4.1743 8.0221 115.0970 56.1739 29.5859 177.2656 67 K 3.8484 7.9288 117.9116 56.8265 29.9738 176.5184 68 K 4.2225 7.9987 118.1423 56.7027 32.5378 176.8376 69 E 4.7420 9.6293 121.4116 56.4018 32.1086 175.7018 70 L 5.5160 7.9219 119.0640 52.8363 46.3265 175.1613 71 A 5.0496 9.7467 125.3256 50.2897 21.9669 174.9735 72 V 4.7972 8.7325 123.7402 62.0927 33.3467 174.5663 73 F 5.1348 9.5002 128.2760 56.2954 40.9317 174.9091 74 H 5.4552 9.2231 118.4009 53.2588 32.4727 172.6771 75 C 5.0683 8.7283 114.7349 58.9239 32.3422 175.8520 76 A 4.3145 9.1305 116.4333 54.3642 18.6118 178.6904 77 Q 4.7584 8.3120 111.6168 55.0065 30.8404 176.0015 78 S 3.9640 8.0561 113.2470 59.8632 60.5147 173.8292 79 L 4.4708 7.5600 117.3779 55.6962 43.4127 177.5142 80 V 4.2547 7.7369 115.1203 64.5960 33.5174 177.6517 81 R 4.0240 8.0112 117.9699 58.9800 30.0306 178.7401 82 A 4.0488 7.9178 120.1282 54.7443 18.4443 177.7332 83 P 3.6645 0.0000 0.0000 65.2779 31.2969 178.8100 84 K 3.9847 7.9801 118.4540 59.3531 32.1212 179.0279 85 G 3.7091 8.3148 106.0754 47.9215 0.0000 175.4810 86 A 2.6930 7.8091 123.3550 54.1517 18.3357 179.2815 87 N 4.2748 8.1327 115.2642 56.8280 38.6803 177.8788 88 R 3.7036 7.8563 119.3613 58.7742 29.9039 178.9697 89 F 4.1757 8.0710 120.3760 61.1639 39.4898 176.7204 90 A 3.8908 8.5934 121.3515 55.3005 18.1443 179.2706 91 L 3.7902 7.8691 118.1872 58.3415 42.1969 179.0359 92 A 3.9651 7.9874 120.5888 55.1979 18.2672 179.6583 93 Q 3.8378 7.8756 116.6877 58.9768 28.2608 178.9390 94 K 3.8855 7.8861 120.6757 59.2355 31.9807 178.8657 95 K 3.9267 7.8554 119.2572 58.7760 32.2147 177.8820 96 L 4.1724 7.3981 116.3510 53.1585 42.2145 176.4508 97 G 3.7387 7.2500 106.1793 46.9459 0.0000 173.2285 98 Y 4.8151 7.4807 115.3602 55.9585 40.5923 177.2505 99 V 4.5966 8.3637 117.8806 60.7377 33.0612 175.2891 100 L 4.9382 7.8757 121.5082 52.1979 45.0672 173.8396 101 P 4.7644 0.0000 0.0000 62.9105 32.2971 175.6790 102 A 4.4776 9.1196 123.3063 51.7316 20.5387 176.3830 103 V 4.9020 7.9789 119.0360 61.4036 34.1806 174.1658 104 Y 5.2730 9.5540 124.7926 56.1861 42.3414 174.3904 105 V 4.7764 8.4327 121.9520 60.9000 34.5913 174.3071 106 L 4.8165 9.0147 130.7668 54.2351 43.0163 176.1280 107 R 4.4050 9.1301 128.5268 57.8696 30.6942 176.9653 108 G 3.9630 9.2388 113.0397 44.5173 0.0000 174.5977 109 G 4.5225 8.0542 108.6979 45.5417 0.0000 174.1762 110 W 4.2305 9.2275 127.3206 60.2935 30.5489 178.7490 111 E 4.0207 9.0013 119.8175 59.5565 29.0753 178.9022 112 A 4.0186 8.0388 120.2687 54.8060 18.4220 179.2553 113 F 4.1281 8.1160 119.0547 61.8731 39.4086 176.8783 114 Y 3.4191 7.6472 118.9993 60.5077 38.2544 177.1373 115 H 3.9914 8.2446 118.8817 59.3975 30.0432 176.6571 116 M 3.8896 8.2074 119.4436 57.5748 32.5210 176.1586 117 Y 4.2308 7.4615 113.6549 57.0314 39.6864 177.6153 118 G 2.6039 7.6640 110.1648 47.3451 0.0000 174.3981 119 D 4.5935 7.3890 116.9173 53.4879 40.8957 177.7177 120 V 3.6698 7.5430 118.9040 64.9560 32.5052 175.9983 121 R 4.7892 8.1350 118.3678 54.1436 30.1123 174.3799 122 P 4.5277 0.0000 0.0000 64.3876 32.3429 178.9612 123 D 4.3554 7.9980 118.2298 55.8038 39.4005 176.9929 124 L 4.4842 8.1641 118.5397 55.5087 42.3314 175.9655 125 M 5.0680 7.9291 120.0496 54.0826 33.8703 174.7489 126 Y 4.9797 9.0057 121.6972 56.4356 41.5273 175.2308 127 V 4.6873 8.2920 113.8500 59.9247 36.9877 174.0869 128 K 5.5385 8.6169 119.8641 53.9849 34.9536 175.8176 129 L 4.6524 8.4374 124.1569 54.5899 46.3861 176.0066 130 G 4.0546 8.9063 109.8691 43.9631 0.0000 172.2281 131 P 4.3935 0.0000 0.0000 64.4763 31.5437 176.8142 132 E 4.4076 8.0905 116.0956 55.3062 30.9320 175.4474 133 Q 4.0114 7.4781 116.3917 55.7263 26.6073 173.3117 134 K 4.5383 7.3452 117.8438 55.0369 34.7634 177.7803 135 L 4.7045 8.4721 122.5809 55.7430 42.4904 176.5229 136 I 4.6037 8.6544 121.3786 59.9067 42.1735 174.1526 137 S 3.8788 8.1620 123.1094 57.5265 63.9373 175.1168 138 E 3.9585 8.8427 122.5541 59.1908 29.0650 179.4294 139 E 3.8494 7.9891 119.1814 59.5650 29.7941 178.5732 140 D 4.4243 8.1369 118.4150 56.8037 40.7499 179.0175 141 L 3.9566 7.5840 119.5306 57.8509 41.7888 178.7188 142 N 4.2931 8.4348 116.8083 56.6172 38.4861 177.5913 143 S 4.0793 8.2064 115.9594 61.6273 62.7595 176.6219 144 A 4.0648 7.9261 122.1278 55.2326 18.1712 179.5789 145 V 3.7048 7.7351 115.8905 66.0117 31.6400 177.7895 146 D 4.4524 7.9766 118.0806 57.5184 40.7739 176.6208 147 H 4.5349 7.9885 119.8847 56.0852 28.8527 175.1710 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 3 N 8.41 4.47 0.00 2.54 2.75 0.00 0.00 5.85 6.66 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 4 Y 7.15 4.75 0.00 2.85 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 5 T 9.14 4.79 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 6 Y 8.76 5.07 0.00 3.06 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 7 I 8.79 4.90 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.62 1.03 0.00 0.00 8 K 9.44 4.76 0.00 1.92 1.95 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 9 P 0.00 4.48 0.00 2.45 2.48 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 10 E 8.48 4.46 0.00 2.14 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 0.00 2.49 2.54 0.00 11 E 8.25 3.98 0.00 2.22 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 2.41 2.41 0.00 12 L 8.20 3.98 0.00 1.73 1.83 0.84 0.58 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 13 V 8.39 3.56 1.71 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 -0.10 0.00 0.00 0.71 0.00 0.00 14 E 7.84 3.92 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 15 L 7.77 4.06 0.00 1.96 1.70 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.88 4.09 0.00 1.77 1.73 0.96 0.96 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 17 D 8.57 4.64 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 18 N 7.32 4.94 0.00 2.78 2.63 0.00 0.00 7.10 7.59 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 19 P 0.00 4.30 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 20 D 8.08 4.28 0.00 2.64 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 21 S 8.13 4.25 0.00 4.01 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 22 L 8.46 3.92 0.00 1.94 1.85 0.90 0.93 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 23 V 7.65 3.74 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 0.87 0.00 0.00 0.91 0.00 0.00 24 K 7.79 4.26 0.00 1.96 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.43 7.81 25 A 7.44 5.28 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 26 A 9.09 4.67 1.08 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 0.00 0.00 27 V 8.15 4.42 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 1.01 0.00 0.00 0.85 0.00 0.00 28 I 8.28 4.32 0.56 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.00 0.42 0.00 0.00 29 D 8.85 4.51 0.00 2.50 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 0.00 0.00 0.00 0.00 30 C 8.90 5.15 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.06 4.55 0.00 1.88 2.07 0.00 3.07 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 32 D 8.62 4.65 0.00 2.73 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 33 S 8.55 4.42 0.00 3.99 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 34 D 7.73 4.77 0.00 2.84 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 35 R 7.88 3.73 0.00 1.91 1.86 0.00 2.99 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 36 D 7.93 4.90 0.00 2.72 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 37 C 8.07 4.15 0.00 3.02 2.83 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 38 G 6.38 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 0.00 0.00 0.00 39 F 6.92 3.84 0.00 2.95 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 40 I 8.29 4.87 1.96 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.93 0.00 0.00 41 V 8.37 3.57 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 0.54 0.00 0.00 0.46 0.00 0.00 42 N 8.77 4.14 0.00 2.82 2.89 0.00 0.00 6.98 7.57 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 43 S 7.68 4.33 0.00 3.79 3.86 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 44 I 8.81 4.08 1.66 0.00 0.00 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 1.00 0.40 0.78 0.00 0.00 45 N 8.58 4.87 0.00 2.53 2.60 0.00 0.00 7.01 7.65 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 46 M 8.43 4.64 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 47 P 0.00 4.65 0.00 2.10 2.33 0.00 3.63 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 1.95 0.00 48 T 8.76 4.06 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 1.32 0.00 0.00 49 I 7.85 3.54 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.92 0.00 0.00 50 S 7.50 4.69 0.00 3.79 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 51 C 8.12 4.31 0.00 3.04 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.97 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 E 9.02 4.09 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 2.55 2.43 0.00 54 E 8.23 4.22 0.00 2.10 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 2.40 2.42 0.00 55 M 8.01 4.04 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 56 Y 7.95 4.24 0.00 3.20 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 57 E 8.20 4.05 0.00 2.24 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 2.35 2.52 0.00 58 K 8.54 4.03 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.76 7.81 59 L 8.06 3.95 0.00 2.07 2.24 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.59 4.21 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 61 K 8.27 3.93 0.00 2.03 2.06 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.58 7.81 62 T 8.41 3.90 4.41 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 1.22 0.00 0.00 63 L 8.48 4.06 0.00 1.85 1.79 0.88 0.85 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 64 F 8.18 4.04 0.00 2.36 2.78 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 65 E 7.97 3.80 0.00 2.24 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 2.44 2.65 0.00 66 E 8.02 4.17 0.00 1.95 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 2.31 2.45 0.00 67 K 7.93 3.85 0.00 1.78 1.91 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.32 7.81 68 K 8.00 4.22 0.00 1.91 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 69 E 9.63 4.74 0.00 1.87 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 2.26 2.45 0.00 70 L 7.92 5.52 0.00 1.60 1.53 0.90 0.41 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 71 A 9.75 5.05 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 72 V 8.73 4.80 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 0.85 0.00 0.00 0.93 0.00 0.00 73 F 9.50 5.13 0.00 3.03 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 74 H 9.22 5.46 0.00 3.29 3.39 0.00 5.40 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.73 5.07 0.00 3.02 2.61 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 76 A 9.13 4.31 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 77 Q 8.31 4.76 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 78 S 8.06 3.96 0.00 4.20 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 79 L 7.56 4.47 0.00 1.74 1.75 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.74 4.25 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 1.07 0.00 0.00 0.97 0.00 0.00 81 R 8.01 4.02 0.00 1.94 1.99 0.00 3.26 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 1.75 1.72 0.00 82 A 7.92 4.05 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 83 P 0.00 3.66 0.00 2.21 2.20 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 84 K 7.98 3.98 0.00 1.80 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 85 G 8.31 3.71 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 0.00 0.00 0.00 86 A 7.81 2.69 0.69 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 0.00 0.00 87 N 8.13 4.27 0.00 2.87 2.84 0.00 0.00 7.03 8.39 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 88 R 7.86 3.70 0.00 0.67 1.10 0.00 3.03 0.00 0.00 2.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 89 F 8.07 4.18 0.00 3.29 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 90 A 8.59 3.89 1.41 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 0.00 0.00 91 L 7.87 3.79 0.00 1.79 1.84 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.99 3.97 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 93 Q 7.88 3.84 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.29 1.66 0.00 94 K 7.89 3.89 0.00 1.87 1.86 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.53 7.81 95 K 7.86 3.93 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 L 7.40 4.17 0.00 1.31 0.85 1.03 0.81 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 97 G 7.25 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 98 Y 7.48 4.82 0.00 2.92 2.61 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 99 V 8.36 4.60 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 0.82 0.00 0.00 0.95 0.00 0.00 100 L 7.88 4.94 0.00 1.74 1.71 1.02 1.03 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 0.00 101 P 0.00 4.76 0.00 2.31 2.20 0.00 4.06 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 2.38 2.15 0.00 102 A 9.12 4.48 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.98 4.90 2.28 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 1.02 0.00 0.00 1.24 0.00 0.00 104 Y 9.55 5.27 0.00 2.93 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 0.00 105 V 8.43 4.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.11 0.00 0.00 106 L 9.01 4.82 0.00 1.85 1.64 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 R 9.13 4.41 0.00 2.22 1.95 0.00 3.49 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 108 G 9.24 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 0.00 109 G 8.05 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 W 9.23 4.23 0.00 3.52 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 0.00 111 E 9.00 4.02 0.00 2.24 2.28 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 2.37 2.43 0.00 112 A 8.04 4.02 1.43 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 0.00 0.00 113 F 8.12 4.13 0.00 3.03 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 0.00 114 Y 7.65 3.42 0.00 2.15 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 0.00 115 H 8.24 3.99 0.00 3.26 3.44 0.00 6.00 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.21 3.89 0.00 1.87 1.88 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 1.89 0.81 0.00 117 Y 7.46 4.23 0.00 2.49 2.47 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 0.00 118 G 7.66 2.60 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 0.00 119 D 7.39 4.59 0.00 2.65 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 0.00 120 V 7.54 3.67 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 0.77 0.00 0.00 0.76 0.00 0.00 121 R 8.14 4.79 0.00 1.71 1.74 0.00 3.34 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 122 P 0.00 4.53 0.00 2.25 2.24 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 123 D 8.00 4.36 0.00 2.83 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 0.00 124 L 8.16 4.48 0.00 1.79 2.03 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.93 5.07 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.85 0.00 126 Y 9.01 4.98 0.00 2.65 2.59 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 0.00 127 V 8.29 4.69 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 0.77 0.00 0.00 0.96 0.00 0.00 128 K 8.62 5.54 0.00 1.68 1.79 0.00 1.82 0.00 0.00 2.54 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.49 1.58 7.81 129 L 8.44 4.65 0.00 1.65 1.45 0.93 1.14 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 0.00 130 G 8.91 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 0.00 131 P 0.00 4.39 0.00 2.20 2.19 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 132 E 8.09 4.41 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 133 Q 7.48 4.01 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 134 K 7.35 4.54 0.00 1.75 1.76 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 135 L 8.47 4.70 0.00 1.65 1.90 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.65 4.60 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 1.21 1.06 0.91 0.00 0.00 137 S 8.16 3.88 0.00 3.37 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 0.00 138 E 8.84 3.96 0.00 2.01 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 2.35 2.50 0.00 139 E 7.99 3.85 0.00 1.97 1.87 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 2.35 2.38 0.00 140 D 8.14 4.42 0.00 2.66 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 0.00 141 L 7.58 3.96 0.00 1.91 1.69 0.90 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 0.00 142 N 8.43 4.29 0.00 2.80 2.86 0.00 0.00 7.10 7.15 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 0.00 143 S 8.21 4.08 0.00 4.03 3.99 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 0.00 144 A 7.93 4.06 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 0.00 145 V 7.74 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 0.86 0.00 0.00 0.96 0.00 0.00 146 D 7.98 4.45 0.00 2.58 2.61 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 0.00 147 H 7.99 4.53 0.00 3.14 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00