NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2458 8.4444 121.4783 55.5971 31.4868 174.8805 5 D 4.4720 8.1504 118.4960 52.5895 41.6689 174.3255 6 P 4.2995 0.0000 0.0000 65.8117 32.0852 177.5533 7 F 3.9826 8.8419 119.7215 61.5864 39.2504 177.3915 8 F 4.0034 8.0121 116.5227 59.8539 38.5764 178.0834 9 V 3.5624 7.5836 117.9865 65.9791 31.4511 178.0774 10 V 3.5236 7.6329 118.0473 65.7382 31.3356 177.6857 11 K 3.7436 7.9828 119.9831 59.3745 31.8049 178.8889 12 G 3.5708 7.9437 105.7920 47.9342 0.0000 175.5213 13 E 4.0042 8.0436 121.2987 58.9868 29.3639 179.7178 14 V 3.6391 8.2050 118.7005 66.1468 31.6785 178.1466 15 Q 4.1045 8.3516 117.9103 58.8188 28.5427 178.7515 16 K 3.9622 8.1760 120.5232 59.4038 32.2159 178.7635 17 A 4.0010 8.1313 121.1181 55.0860 18.3079 179.7117 18 V 3.4863 8.1710 117.1613 66.1376 31.1718 177.6077 19 N 4.3050 8.2312 116.6952 57.2892 38.7840 176.9774 20 T 3.9467 8.0048 116.7203 66.4867 68.4297 176.6908 21 A 4.0846 8.2441 122.9339 55.0379 18.3324 179.6947 22 Q 4.1304 8.2531 116.9950 59.1090 28.7984 179.2984 23 G 3.6493 7.8889 106.1448 47.9024 0.0000 175.8364 24 L 4.1503 8.1730 121.7925 57.3163 41.5317 179.4505 25 F 4.3434 8.7633 121.1178 61.4324 39.3686 177.1564 26 Q 3.9857 8.3480 117.7330 58.9823 28.5234 178.9614 27 R 3.8448 8.1127 119.6030 59.1440 29.9648 178.0644 28 W 4.2020 8.4787 127.2384 60.9565 30.8840 177.6069 29 T 3.4057 8.1709 115.7090 66.6146 67.9656 176.3826 30 E 3.8735 7.9672 120.3061 59.4016 29.3665 179.4239 31 L 4.0355 7.9250 118.4990 56.9961 41.4154 178.8052 32 L 3.9314 7.0014 117.6001 56.1881 41.4861 178.4754 33 Q 4.0856 7.5825 117.8955 57.3231 29.2657 174.5273 34 G 3.7207 7.8329 105.0166 43.4742 0.0000 172.3691 35 P 4.5971 0.0000 0.0000 64.3069 31.2858 177.7490 36 S 4.3223 7.9316 111.0691 59.6687 63.4866 174.6109 37 A 4.6189 7.8817 121.4726 51.2526 20.0473 175.2310 38 A 4.6881 7.5930 118.1507 51.4937 21.8686 176.7010 39 T 4.5408 8.7880 112.9016 60.2885 72.2854 176.5184 40 R 3.9512 8.3649 120.5358 59.4759 29.9797 179.2368 41 E 4.1129 8.1816 118.0973 59.2270 29.4574 178.9492 42 E 4.0889 8.1373 118.3786 59.5786 29.5094 179.4782 43 I 3.7748 7.5843 119.9101 64.2975 37.0669 177.9247 44 D 4.2705 8.1475 118.8058 57.3057 41.0325 178.4084 45 W 4.0925 8.4704 119.5844 59.9899 29.0976 178.7003 46 T 4.0218 8.4653 115.9598 67.0374 67.8606 176.7795 47 T 3.9298 8.4328 117.9481 66.5999 68.5219 176.0395 48 N 4.2437 8.4497 119.2011 57.0003 38.9887 176.7658 49 E 4.0884 8.6567 120.1459 59.1298 29.5538 179.0879 50 L 3.9720 8.0803 120.4276 58.3595 42.1756 179.2504 51 R 3.9121 8.2460 118.2196 59.2547 29.9114 178.7845 52 N 4.3537 8.2296 116.2162 56.4727 38.6072 177.1848 53 N 4.3592 8.2243 117.7306 56.3528 38.6532 177.5365 54 L 3.9527 7.9870 120.3590 57.6289 41.6936 179.5172 55 R 3.8613 8.1768 118.7664 59.5478 30.2103 178.4167 56 S 4.2570 8.3148 112.9718 61.5259 62.2684 176.3018 57 I 3.7348 7.9056 122.3778 64.4732 36.8170 178.2422 58 E 3.8172 8.1957 119.3968 59.2022 29.1281 179.5511 59 W 4.1413 8.1555 118.9672 59.7681 29.0000 178.3771 60 D 4.4340 8.2072 118.5489 57.3788 40.2719 178.8013 61 L 3.9783 8.1501 119.6557 57.5706 41.5559 179.0095 62 E 3.8573 8.4616 119.6514 59.5032 29.5818 178.5663 63 D 4.4423 8.4490 118.9386 57.5986 40.9600 178.9307 64 L 4.1102 8.3008 119.5912 57.7689 41.5047 179.3312 65 D 4.3433 8.6007 119.2076 57.6128 40.6328 178.6159 66 E 3.9776 8.0867 117.4963 59.7290 29.5901 179.5384 67 T 3.9965 7.9853 115.6115 66.7585 68.6102 176.8194 68 I 3.5505 7.7574 121.6744 64.3347 36.8579 178.1291 69 S 4.2291 8.1088 113.3326 61.6469 62.1388 176.2359 70 I 3.8059 7.1976 120.7917 64.5820 36.7743 178.4720 71 V 3.0996 7.3621 118.0163 64.9763 31.0707 177.0570 72 E 3.8325 8.3568 118.9266 59.4200 29.3097 178.6246 73 A 4.2100 7.8941 119.0829 54.0366 20.0519 177.3483 74 N 4.9761 7.4613 113.6606 50.6213 38.8690 171.6467 75 P 4.4251 0.0000 0.0000 65.5484 32.3680 178.9111 76 R 3.9571 8.1691 117.4448 59.1909 30.1911 178.2584 77 K 3.8830 8.0707 117.8983 59.0143 32.1079 177.0834 78 F 4.5363 8.4320 114.8806 56.4825 39.2586 175.4000 79 N 4.2595 8.4610 117.0014 54.2900 36.1021 174.6228 80 L 4.7278 7.6220 117.4653 52.4398 45.6016 175.8052 81 D 4.6511 8.5643 125.5607 52.9041 41.9072 177.2738 82 A 4.0139 8.4875 122.7127 55.4521 18.3462 180.4097 83 T 3.7768 7.8074 114.0013 66.8543 68.5709 176.1140 84 E 3.8796 8.3058 121.1883 59.3364 29.6236 178.6546 85 L 3.7720 7.8698 120.2582 58.0445 42.0714 179.1832 86 S 4.1094 8.0781 115.2819 61.6237 62.8415 176.6889 87 I 3.7584 7.9305 122.6011 64.4245 36.6806 178.7668 88 R 3.9649 8.1398 119.1633 59.2133 29.7875 179.3044 89 K 4.0166 8.2072 118.0604 59.2875 31.8914 179.3056 90 A 4.0213 7.9963 121.3340 55.0090 18.2874 179.4656 91 F 4.2121 8.2829 119.2355 61.3182 39.4320 177.5673 92 I 3.4372 7.6589 119.6108 64.4789 36.9560 178.3845 93 T 3.7533 7.8900 116.4713 66.8534 68.3878 176.7376 94 S 4.0737 8.2181 117.1729 61.9695 62.8641 177.0797 95 T 3.6536 7.5339 118.2360 66.5191 68.1421 176.8051 96 R 3.7784 8.2047 121.0448 59.2254 29.9307 178.3684 97 Q 3.8640 8.0175 119.4715 59.1412 28.9667 178.2355 98 I 3.5618 7.4276 120.3254 64.2675 37.0428 178.6078 99 V 3.3757 7.6388 118.9260 65.8601 31.3862 177.8050 100 R 3.7626 8.2620 118.7444 59.7630 29.8935 178.0587 101 D 4.3647 8.1284 118.5118 57.6292 40.7694 178.8975 102 M 3.4048 7.5252 118.8262 58.1214 31.8873 179.0033 103 K 3.8826 8.0605 118.8034 59.2796 32.0624 179.1909 104 D 4.3141 8.4612 119.6364 57.4693 40.8186 178.6294 105 Q 4.0798 8.0331 119.9138 59.5951 28.8891 178.1385 106 M 4.0422 7.8555 118.6831 58.4406 31.9543 178.4042 107 S 4.2707 8.0433 112.3448 60.9648 62.6824 175.5258 108 A 4.2284 8.1972 122.1641 53.7162 18.3158 177.9865 109 S 4.5452 7.8305 117.8760 58.6414 63.3370 173.8096 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 4 E 8.44 4.25 0.00 1.97 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 2.23 2.34 0.00 5 D 8.15 4.47 0.00 3.04 3.06 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 6 P 0.00 4.30 0.00 2.25 2.16 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 7 F 8.84 3.98 0.00 2.90 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 8 F 8.01 4.00 0.00 3.26 3.05 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 9 V 7.58 3.56 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 1.03 0.00 0.00 0.97 0.00 0.00 10 V 7.63 3.52 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 1.01 0.00 0.00 0.94 0.00 0.00 11 K 7.98 3.74 0.00 0.79 1.39 0.00 1.00 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.21 7.81 12 G 7.94 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.04 4.00 0.00 2.18 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 2.48 2.46 0.00 14 V 8.20 3.64 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.01 0.00 0.00 15 Q 8.35 4.10 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 16 K 8.18 3.96 0.00 1.85 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 A 8.13 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.17 3.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 19 N 8.23 4.30 0.00 2.99 3.03 0.00 0.00 7.28 6.49 0.00 0.00 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 T 8.00 3.95 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 1.25 0.00 0.00 21 A 8.24 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.25 4.13 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 23 G 7.89 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 24 L 8.17 4.15 0.00 1.94 1.84 0.99 0.90 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 25 F 8.76 4.34 0.00 3.20 3.31 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 26 Q 8.35 3.99 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 27 R 8.11 3.84 0.00 1.95 2.17 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 28 W 8.48 4.20 0.00 3.31 3.38 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 29 T 8.17 3.41 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 1.05 0.00 0.00 30 E 7.97 3.87 0.00 2.09 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 2.55 2.47 0.00 31 L 7.92 4.04 0.00 1.64 1.61 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.00 3.93 0.00 1.43 1.40 0.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.58 4.09 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.73 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 34 G 7.83 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 0.00 0.00 0.00 35 P 0.00 4.60 0.00 2.03 2.12 0.00 3.70 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 36 S 7.93 4.32 0.00 3.96 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 37 A 7.88 4.62 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 38 A 7.59 4.69 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 39 T 8.79 4.54 4.39 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 1.27 0.00 0.00 40 R 8.36 3.95 0.00 1.89 2.03 0.00 3.13 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 41 E 8.18 4.11 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 42 E 8.14 4.09 0.00 2.21 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 2.38 2.40 0.00 43 I 7.58 3.77 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.97 0.00 0.00 44 D 8.15 4.27 0.00 2.87 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 45 W 8.47 4.09 0.00 3.58 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 46 T 8.47 4.02 4.47 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 1.40 0.00 0.00 47 T 8.43 3.93 4.46 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 1.24 0.00 0.00 48 N 8.45 4.24 0.00 2.78 2.98 0.00 0.00 7.29 7.70 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 49 E 8.66 4.09 0.00 2.13 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 2.85 2.62 0.00 50 L 8.08 3.97 0.00 1.91 1.88 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.25 3.91 0.00 2.02 1.95 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 52 N 8.23 4.35 0.00 2.97 2.91 0.00 0.00 7.02 6.42 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 53 N 8.22 4.36 0.00 2.92 2.88 0.00 0.00 7.09 6.29 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 54 L 7.99 3.95 0.00 1.65 1.63 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.18 3.86 0.00 2.02 2.17 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 56 S 8.31 4.26 0.00 4.02 4.11 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 57 I 7.91 3.73 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.84 0.00 0.00 58 E 8.20 3.82 0.00 1.86 1.67 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 2.17 2.47 0.00 59 W 8.16 4.14 0.00 3.44 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 60 D 8.21 4.43 0.00 2.92 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 61 L 8.15 3.98 0.00 1.76 1.65 0.77 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.46 3.86 0.00 2.04 2.29 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 2.35 2.64 0.00 63 D 8.45 4.44 0.00 2.97 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 64 L 8.30 4.11 0.00 1.92 1.89 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.60 4.34 0.00 2.98 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 66 E 8.09 3.98 0.00 2.13 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 2.37 2.55 0.00 67 T 7.99 4.00 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 1.17 0.00 0.00 68 I 7.76 3.55 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.82 0.00 0.00 69 S 8.11 4.23 0.00 3.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.20 3.81 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.92 0.00 0.00 71 V 7.36 3.10 1.66 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 0.64 0.00 0.00 -0.60 0.00 0.00 72 E 8.36 3.83 0.00 2.21 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 2.30 2.31 0.00 73 A 7.89 4.21 1.33 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 0.00 0.00 0.00 74 N 7.46 4.98 0.00 2.77 2.92 0.00 0.00 7.32 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 75 P 0.00 4.43 0.00 2.24 2.15 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 76 R 8.17 3.96 0.00 1.86 1.97 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 77 K 8.07 3.88 0.00 1.96 1.84 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.02 1.21 7.81 78 F 8.43 4.54 0.00 3.02 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.46 4.26 0.00 2.86 2.91 0.00 0.00 6.56 7.85 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 80 L 7.62 4.73 0.00 1.56 1.66 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.56 4.65 0.00 2.91 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 82 A 8.49 4.01 1.33 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 0.00 0.00 0.00 83 T 7.81 3.78 4.48 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 1.21 0.00 0.00 84 E 8.31 3.88 0.00 2.30 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 0.00 2.30 2.25 0.00 85 L 7.87 3.77 0.00 1.87 1.73 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.08 4.11 0.00 4.12 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 87 I 7.93 3.76 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 1.80 1.28 0.97 0.00 0.00 88 R 8.14 3.96 0.00 1.64 1.34 0.00 2.46 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.55 0.00 89 K 8.21 4.02 0.00 1.95 1.84 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.62 7.81 90 A 8.00 4.02 1.46 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 0.00 0.00 91 F 8.28 4.21 0.00 3.29 3.44 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 92 I 7.66 3.44 2.02 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 1.89 0.85 0.91 0.00 0.00 93 T 7.89 3.75 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 1.17 0.00 0.00 94 S 8.22 4.07 0.00 3.76 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 0.00 95 T 7.53 3.65 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 0.99 0.00 0.00 96 R 8.20 3.78 0.00 1.80 1.94 0.00 3.00 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 97 Q 8.02 3.86 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 98 I 7.43 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.80 0.00 0.00 99 V 7.64 3.38 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 0.94 0.00 0.00 0.87 0.00 0.00 100 R 8.26 3.76 0.00 1.77 2.05 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 101 D 8.13 4.36 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.53 3.40 0.00 1.52 1.88 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.83 0.00 103 K 8.06 3.88 0.00 1.81 1.76 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.56 7.81 104 D 8.46 4.31 0.00 2.81 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 0.00 105 Q 8.03 4.08 0.00 2.39 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.84 2.99 0.00 106 M 7.86 4.04 0.00 1.75 2.01 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 2.16 0.81 0.00 107 S 8.04 4.27 0.00 3.91 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 0.00 108 A 8.20 4.23 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 0.00 109 S 7.83 4.55 0.00 4.26 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