NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5901 8.2785 119.1926 53.5836 41.3575 176.4507 0 A 3.7744 7.9345 120.1206 54.7973 18.3830 177.7577 1 M 3.8663 8.0901 116.9353 58.7165 32.5307 176.9981 2 Q 4.0319 7.9413 118.9696 59.3032 29.2392 178.4363 3 R 4.2220 7.9775 120.4592 58.6643 30.0370 179.0515 4 R 3.9955 7.9833 117.9282 59.4766 30.0417 179.1377 5 L 4.1280 7.9664 118.5926 57.7959 41.0419 179.4761 6 E 4.1502 8.3960 118.6389 59.3532 29.3648 179.4489 7 R 3.9612 8.1742 118.1644 59.3814 30.1881 178.8046 8 F 4.1179 8.7532 120.7039 61.4859 39.3556 176.9475 9 D 4.5845 8.5437 118.4436 57.2412 40.6675 178.6082 10 A 3.9348 8.3802 121.7028 55.0948 18.4310 179.4739 11 K 3.7497 8.2853 118.5813 59.5608 31.8014 178.7221 12 L 4.1070 7.6184 119.9259 57.8609 42.1681 178.6855 13 V 3.7013 7.7178 118.2774 66.2681 31.2926 177.5991 14 Q 3.9539 7.8834 118.0841 59.3571 28.8835 178.4352 15 S 4.2703 7.8473 113.6562 59.2967 63.2406 175.6431 16 G 4.0473 7.8716 110.3538 45.7025 0.0000 174.1975 17 L 4.2390 7.6532 119.3377 54.9238 42.1082 176.8559 18 D 4.7022 8.5000 121.1344 56.4793 41.6619 176.1118 19 A 4.5027 7.4676 118.0193 51.0732 22.9564 174.7574 20 L 4.8838 8.2284 120.6950 53.2397 45.6287 174.9468 21 L 4.9990 8.8956 129.2342 54.2813 43.1109 175.8603 22 V 4.4105 8.8908 128.0754 61.7664 32.5388 175.7648 23 T 4.3410 8.5935 117.7241 61.4585 70.8839 175.4437 24 G 3.6271 7.8796 110.3251 44.1944 0.0000 173.5894 25 Q 3.6799 8.6918 126.5444 59.6836 28.7972 178.9571 26 N 4.6111 7.9614 116.5221 56.2992 38.7896 177.0486 27 N 4.4520 8.0789 117.4917 56.4329 38.6045 177.3994 28 I 3.7858 8.1902 121.6137 64.4553 37.1895 177.8060 29 Y 4.4845 8.3068 121.8499 60.4232 38.4553 177.4577 30 Y 4.1104 8.3363 119.5294 60.7795 38.9876 177.7498 31 L 4.2635 7.9477 118.3000 56.4911 42.0102 178.2103 32 T 4.2815 7.8836 107.3924 60.0412 70.2501 174.0194 33 D 3.7924 7.9705 119.4830 54.5648 40.0834 172.1990 34 F 4.8849 8.4330 119.2877 55.4384 41.2478 173.8431 35 W 4.9482 8.1800 135.0000 55.5873 32.1220 174.8474 36 G 3.9785 6.8419 113.3946 46.1566 0.0000 172.4736 37 T 4.3707 8.3644 106.1171 61.2133 69.2025 174.3296 38 N 4.4865 7.9266 118.8732 54.0017 39.6677 174.8479 39 A 4.3965 7.3134 118.9044 50.9571 20.7802 176.5922 40 T 4.5106 8.2232 115.1137 61.6503 72.7428 173.4603 41 V 4.8381 8.4606 124.6610 61.1808 34.9115 174.4201 42 F 5.1436 9.1320 128.7534 57.0189 42.6455 172.9272 43 I 4.8216 8.1764 127.5486 59.6341 40.0931 175.1909 44 T 5.1052 8.1025 116.6640 59.5405 71.2452 174.1768 45 K 4.1707 8.7541 119.3610 58.5891 32.2832 177.9057 46 N 4.7305 7.8594 115.1306 53.8634 39.6785 174.7888 47 R 4.4587 7.2284 112.5796 55.1533 32.0355 173.6343 48 R 4.6599 8.0920 116.7662 54.4858 33.5711 174.2067 49 L 5.1805 8.8208 124.6278 52.9184 44.5261 175.5919 50 F 5.0073 9.3932 125.9590 56.6027 41.6483 173.4624 51 L 5.1098 8.3908 127.3379 53.6296 43.7569 175.8771 52 T 4.4078 8.2213 115.6148 61.1205 71.6883 171.9770 53 D 4.8292 8.6809 124.4526 54.2243 41.9233 176.9872 54 S 4.0782 8.9039 119.6574 61.5344 62.3190 176.3459 55 R 3.9234 8.1557 114.7903 57.8841 29.6311 177.0767 56 Y 4.7200 7.7545 116.1945 58.6252 38.2839 177.3904 57 T 4.0574 7.6770 118.7106 66.4087 68.2918 176.7013 58 L 4.0183 7.8119 119.7975 57.8370 42.1806 178.7308 59 I 3.8736 7.8937 117.8907 64.0617 38.0029 177.5463 60 A 4.0377 8.4017 121.6774 55.1660 17.9694 179.6309 61 K 3.8856 7.9895 115.9525 59.6256 32.1606 178.9068 62 Q 4.2875 7.9485 117.2057 56.9895 29.0940 176.6910 63 S 4.5120 7.9273 111.6231 57.7624 64.5168 173.7841 64 V 3.9954 7.5081 121.6868 61.2941 31.4608 174.4090 65 H 4.4301 8.6847 127.8518 56.9062 30.4775 175.1662 66 G 3.7697 9.0899 114.0372 45.0991 0.0000 172.5961 67 F 4.8647 7.6670 116.1314 55.2512 42.9689 174.2272 68 D 4.6826 9.1184 122.3409 54.1097 42.0179 175.5680 69 I 4.7765 8.4340 124.6553 60.6088 38.6094 175.1821 70 I 4.5948 8.8958 128.1293 59.1561 40.1900 174.5252 71 E 4.6431 8.9192 128.7918 56.2793 30.0807 175.7337 72 S 4.7473 8.8603 120.9763 56.9688 65.3582 173.6588 73 K 4.2423 8.1932 123.3109 57.5003 32.7583 176.5931 74 D 4.6016 8.1153 117.9505 50.9300 42.0744 173.0954 75 P 4.2547 0.0000 0.0000 65.2364 31.1891 177.9240 76 L 4.0051 7.8713 117.1450 57.8243 41.4099 179.5858 77 K 3.9620 7.5782 115.8850 59.3687 32.0605 179.0071 78 D 4.5084 8.0472 118.2054 56.8815 40.9504 178.2161 79 I 4.1069 7.6809 120.1847 63.0758 37.0867 178.0346 80 V 3.6696 7.3165 118.7909 66.1015 31.1953 177.9575 81 K 3.8208 8.0805 117.6831 60.2720 32.1373 178.7993 82 F 4.1087 8.1109 118.3002 60.1347 38.9173 177.6335 83 V 3.6968 8.0836 118.0934 66.0340 31.3167 178.0581 84 E 4.0436 8.4550 118.4514 59.4821 29.1527 179.5806 85 V 3.5777 7.7442 117.4558 66.1129 31.6347 176.7576 86 D 4.5366 8.2543 116.6113 54.5168 40.9921 176.0316 87 K 3.9385 7.7042 117.9128 57.3612 29.9858 175.6083 88 L 4.4545 7.8915 117.1269 54.6865 43.0152 176.6239 89 E 4.7909 9.8127 121.1749 57.4234 32.7570 175.5186 90 T 5.0661 8.3011 116.8835 61.9264 71.2761 173.4088 91 I 4.7530 8.7452 128.5202 59.3302 39.6362 175.7747 92 G 4.6570 8.9552 115.4575 46.9871 0.0000 172.1459 93 F 5.5846 7.8867 115.5476 54.9377 42.2605 172.5858 94 D 4.8305 8.8398 119.7652 53.6409 41.7049 176.6083 95 N 4.4834 8.7806 123.6710 54.7754 37.2943 175.5020 96 Q 4.3563 8.4442 117.7056 56.2448 29.2192 176.5247 97 V 3.8323 7.8268 112.4708 60.7380 32.4140 176.8494 98 S 4.4430 8.3791 117.0163 58.2428 64.9695 174.9712 99 F 4.0495 9.0361 124.8397 61.5855 39.1103 177.1762 100 A 4.1895 8.2697 119.7986 55.5773 18.0780 178.8759 101 Y 3.8142 8.4540 118.2352 60.9271 38.8445 177.4171 102 Y 3.6771 8.2264 120.5219 60.5771 38.8292 178.0102 103 Q 3.5247 8.1437 119.2402 58.5779 28.6883 178.6432 104 A 3.7717 7.6768 121.7329 55.0134 18.3887 179.6703 105 L 3.8811 7.5766 117.6677 57.8974 41.4012 179.7033 106 Q 3.7407 7.4758 116.9370 58.8549 28.8615 178.5538 107 A 3.9842 7.7196 121.4863 55.3880 18.2448 179.7846 108 I 3.4029 7.7727 117.4052 63.2883 37.4746 177.8939 109 F 4.9251 8.1448 118.7256 55.5667 40.3583 175.3523 110 E 4.1038 7.2869 119.2341 58.1154 29.8683 176.2792 111 G 3.8754 9.1104 113.8944 45.2709 0.0000 172.9918 112 Y 4.5215 7.6218 116.1471 57.2592 39.9325 175.4205 113 T 4.4633 8.9452 118.2870 62.8892 69.9542 174.0370 114 L 5.0970 8.7273 127.1448 53.3915 43.4964 176.0216 115 S 4.8091 9.4966 120.3588 55.5160 64.2872 171.3895 116 P 3.4980 0.0000 0.0000 62.5679 32.0649 175.6327 117 Q 4.5255 8.5776 121.4371 54.7312 31.1653 176.1341 118 T 4.1572 8.6507 117.0139 63.1897 68.8429 174.8812 119 N 5.3017 7.7556 114.3164 50.5445 38.7715 175.5784 120 F 3.9573 8.4318 122.0245 62.2845 39.4873 177.0090 121 M 4.3130 8.2205 118.0814 58.2630 31.7781 178.4393 122 E 3.9328 8.1339 117.4281 59.5946 29.7046 178.9823 123 E 3.9170 8.6564 119.9438 58.6704 29.1871 179.1216 124 L 3.9113 7.6250 120.0283 58.1981 42.3078 179.0466 125 R 3.8865 7.9527 119.0157 59.1085 29.9359 177.8225 126 M 4.3413 7.4197 124.5242 56.6704 31.7619 180.4883 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 N 8.28 4.59 0.00 2.79 2.85 0.00 0.00 6.96 7.21 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 A 7.93 3.77 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 1 M 8.09 3.87 0.00 2.00 2.02 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 2.61 2.46 0.00 2 Q 7.94 4.03 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 3 R 7.98 4.22 0.00 2.05 1.97 0.00 3.20 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 4 R 7.98 4.00 0.00 1.94 1.92 0.00 2.64 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 1.50 1.69 0.00 5 L 7.97 4.13 0.00 1.85 1.67 0.91 1.08 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 6 E 8.40 4.15 0.00 2.20 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 2.34 2.49 0.00 7 R 8.17 3.96 0.00 2.19 2.05 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 8 F 8.75 4.12 0.00 3.34 3.28 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 9 D 8.54 4.58 0.00 2.93 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 10 A 8.38 3.93 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 11 K 8.29 3.75 0.00 1.51 1.32 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.92 7.81 12 L 7.62 4.11 0.00 1.73 1.88 0.85 1.12 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 13 V 7.72 3.70 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 0.93 0.00 0.00 0.94 0.00 0.00 14 Q 7.88 3.95 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 15 S 7.85 4.27 0.00 4.21 4.23 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 16 G 7.87 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 17 L 7.65 4.24 0.00 1.66 1.74 0.85 0.93 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 18 D 8.50 4.70 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.47 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.23 4.88 0.00 1.46 1.46 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.90 5.00 0.00 1.91 1.87 1.13 1.32 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 22 V 8.89 4.41 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 0.98 0.00 0.00 0.97 0.00 0.00 23 T 8.59 4.34 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 1.14 0.00 0.00 24 G 7.88 3.63 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 0.00 0.00 0.00 25 Q 8.69 3.68 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 26 N 7.96 4.61 0.00 2.86 3.02 0.00 0.00 7.12 6.92 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 27 N 8.08 4.45 0.00 2.90 2.96 0.00 0.00 7.15 6.91 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 28 I 8.19 3.79 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.96 0.00 0.00 29 Y 8.31 4.48 0.00 3.44 3.45 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 30 Y 8.34 4.11 0.00 3.14 3.27 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 31 L 7.95 4.26 0.00 1.72 1.86 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.88 4.28 3.87 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 0.72 0.00 0.00 33 D 7.97 3.79 0.00 2.57 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 34 F 8.43 4.88 0.00 3.09 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 35 W 8.18 4.95 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 6.84 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 37 T 8.36 4.37 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 38 N 7.93 4.49 0.00 2.32 2.76 0.00 0.00 6.95 7.35 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 39 A 7.31 4.40 0.22 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 40 T 8.22 4.51 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 V 8.46 4.84 2.16 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 1.10 0.00 0.00 0.82 0.00 0.00 42 F 9.13 5.14 0.00 3.05 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 43 I 8.18 4.82 1.70 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.37 0.84 0.00 0.00 44 T 8.10 5.11 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 1.10 0.00 0.00 45 K 8.75 4.17 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 46 N 7.86 4.73 0.00 2.76 2.89 0.00 0.00 6.79 7.76 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 47 R 7.23 4.46 0.00 1.91 2.00 0.00 2.94 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 48 R 8.09 4.66 0.00 1.04 0.83 0.00 2.32 0.00 0.00 2.74 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.00 49 L 8.82 5.18 0.00 1.61 1.46 -0.05 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.39 5.01 0.00 2.82 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 51 L 8.39 5.11 0.00 1.57 1.46 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.22 4.41 3.82 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 1.38 0.00 0.00 53 D 8.68 4.83 0.00 2.90 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 54 S 8.90 4.08 0.00 3.88 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 55 R 8.16 3.92 0.00 1.71 1.83 0.00 2.91 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.00 56 Y 7.75 4.72 0.00 3.17 3.28 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 57 T 7.68 4.06 4.45 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 1.25 0.00 0.00 58 L 7.81 4.02 0.00 1.66 1.76 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.89 3.87 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 1.29 0.00 0.00 60 A 8.40 4.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.99 3.89 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 62 Q 7.95 4.29 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 63 S 7.93 4.51 0.00 3.97 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 64 V 7.51 4.00 1.83 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 0.29 0.00 0.00 0.43 0.00 0.00 65 H 8.68 4.43 0.00 3.13 3.19 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.09 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 67 F 7.67 4.86 0.00 2.81 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 9.12 4.68 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.43 4.78 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 1.03 0.00 0.00 70 I 8.90 4.59 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.32 1.01 0.00 0.00 71 E 8.92 4.64 0.00 2.01 1.89 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 2.37 2.26 0.00 72 S 8.86 4.75 0.00 3.87 3.63 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 73 K 8.19 4.24 0.00 1.73 1.80 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 74 D 8.12 4.60 0.00 2.66 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 75 P 0.00 4.25 0.00 2.19 2.04 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 76 L 7.87 4.01 0.00 1.57 1.65 0.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.58 3.96 0.00 1.71 1.78 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.72 7.81 78 D 8.05 4.51 0.00 2.79 2.80 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 0.00 0.00 0.00 79 I 7.68 4.11 1.96 0.00 0.00 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 0.99 0.53 -0.13 0.00 0.00 80 V 7.32 3.67 2.14 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 1.05 0.00 0.00 0.61 0.00 0.00 81 K 8.08 3.82 0.00 1.84 1.96 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 0.82 7.81 82 F 8.11 4.11 0.00 3.29 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 83 V 8.08 3.70 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 0.59 0.00 0.00 0.85 0.00 0.00 84 E 8.45 4.04 0.00 2.20 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 2.47 2.53 0.00 85 V 7.74 3.58 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 0.76 0.00 0.00 0.91 0.00 0.00 86 D 8.25 4.54 0.00 2.96 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 87 K 7.70 3.94 0.00 1.97 1.94 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 88 L 7.89 4.45 0.00 1.71 1.66 1.09 0.91 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 89 E 9.81 4.79 0.00 2.12 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 0.00 2.24 2.37 0.00 90 T 8.30 5.07 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 1.26 0.00 0.00 91 I 8.75 4.75 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.96 0.00 0.00 92 G 8.96 4.66 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 0.00 0.00 0.00 93 F 7.89 5.58 0.00 3.27 3.21 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 94 D 8.84 4.83 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.78 4.48 0.00 2.83 2.83 0.00 0.00 7.04 6.78 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 96 Q 8.44 4.36 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 97 V 7.83 3.83 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 0.72 0.00 0.00 1.36 0.00 0.00 98 S 8.38 4.44 0.00 4.16 4.06 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 0.00 0.00 0.00 99 F 9.04 4.05 0.00 3.28 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 0.00 100 A 8.27 4.19 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 0.00 101 Y 8.45 3.81 0.00 3.12 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 0.00 102 Y 8.23 3.68 0.00 2.99 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 0.00 103 Q 8.14 3.52 0.00 2.06 1.96 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 2.17 1.97 0.00 104 A 7.68 3.77 1.03 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 0.00 105 L 7.58 3.88 0.00 1.40 1.50 0.43 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.48 3.74 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.09 1.29 0.00 107 A 7.72 3.98 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 0.00 108 I 7.77 3.40 1.34 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 1.26 0.42 0.09 0.00 0.00 109 F 8.14 4.93 0.00 3.10 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 0.00 110 E 7.29 4.10 0.00 2.11 1.84 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 2.29 2.25 0.00 111 G 9.11 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 0.00 112 Y 7.62 4.52 0.00 3.22 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 0.00 113 T 8.95 4.46 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 114 L 8.73 5.10 0.00 1.77 1.94 0.85 0.85 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 0.00 115 S 9.50 4.81 0.00 3.87 3.76 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 0.00 116 P 0.00 3.50 0.00 1.83 1.61 0.00 3.77 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 1.89 1.97 0.00 117 Q 8.58 4.53 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 118 T 8.65 4.16 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 1.19 0.00 0.00 119 N 7.76 5.30 0.00 2.89 3.06 0.00 0.00 6.37 8.12 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 0.00 120 F 8.43 3.96 0.00 3.08 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 0.00 121 M 8.22 4.31 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 122 E 8.13 3.93 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 123 E 8.66 3.92 0.00 2.06 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 0.00 2.27 2.43 0.00 124 L 7.63 3.91 0.00 1.84 1.80 0.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.95 3.89 0.00 1.88 1.83 0.00 3.03 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.56 0.00 126 M 7.42 4.34 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00