NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5729 8.3044 120.3098 55.2017 33.3204 174.3766 2 V 4.1830 7.9500 121.4705 60.9750 33.3231 173.7426 3 T 4.2574 8.3616 126.5401 62.8502 69.9055 173.8618 4 Q 4.6349 8.7652 128.9800 56.1999 29.7602 175.3460 5 L 4.5356 9.3758 128.5435 54.4970 42.0230 177.1642 6 K 4.4393 9.4763 122.9799 56.5386 33.5738 176.2893 7 S 4.5726 7.4740 112.7986 55.9098 66.8407 174.8511 8 A 3.9898 8.4943 123.4411 55.2890 18.0481 179.4373 9 S 4.0268 8.1442 111.1017 61.8199 62.2871 176.1370 10 E 3.8789 7.9944 120.4439 59.4934 29.1895 178.4639 11 Y 3.8705 7.9126 119.4175 61.0866 38.5676 178.2492 12 D 4.0569 8.1218 118.4316 57.0588 41.2704 178.6917 13 S 4.1138 8.0311 114.6014 61.4211 62.8114 176.0742 14 A 3.6712 7.5513 123.7015 55.0463 18.0926 179.3568 15 L 3.8221 7.1673 116.2130 56.6058 42.7293 177.3936 16 A 4.5351 7.3586 121.7359 51.2677 15.0365 176.4324 17 S 4.4048 7.6731 115.5966 55.6682 65.3297 172.5328 18 G 3.7092 9.0860 109.6364 46.8185 0.0000 173.1368 19 D 4.7282 8.9930 126.7268 55.3651 40.1085 174.7695 20 K 4.0703 7.7462 119.2509 55.8312 32.8571 175.7239 21 L 4.3264 8.5687 128.7727 55.0974 43.4664 175.2512 22 V 4.7580 8.9588 126.6548 61.1088 34.1888 174.0990 23 V 4.3607 8.4978 128.1823 60.8954 33.9548 174.1067 24 V 4.7548 8.6033 128.0471 61.1622 34.1787 173.7258 25 D 4.9763 9.1207 128.8931 53.0376 42.2353 175.3266 26 F 5.0935 9.6218 127.7067 56.8665 40.0774 175.0930 27 F 5.5118 8.8286 118.2902 54.8891 41.5034 173.3131 28 A 4.4732 8.0225 118.5096 50.0083 21.8428 177.4844 29 T 4.0806 8.3564 109.7430 64.1225 69.3161 176.1987 30 W 4.3229 7.9467 117.5509 58.0702 28.7939 177.0736 31 C 4.4813 7.2223 119.4321 55.9825 44.6423 173.6898 32 G 3.6020 8.7582 115.6016 47.5918 0.0000 172.7249 33 P 4.2826 0.0000 0.0000 65.1160 31.2272 179.0800 34 C 4.1485 8.2954 114.7331 60.3013 39.9221 176.3251 35 K 3.8470 7.5316 118.0628 59.8618 31.7301 179.1822 36 M 4.1620 8.0590 117.6842 57.6860 32.1273 177.7930 37 I 4.0612 7.6621 117.2808 61.9561 38.4608 177.2331 38 A 3.8754 7.5720 122.1518 54.9124 18.1135 177.7222 39 P 4.0526 0.0000 0.0000 65.8368 31.4099 178.5719 40 M 3.5675 7.7828 116.8826 58.3847 31.8756 178.5831 41 I 3.6940 7.5147 119.6296 64.4338 37.3441 178.1833 42 E 3.7639 7.8668 119.1484 59.3304 29.3256 179.3627 43 K 3.7542 7.7774 118.3106 59.7750 32.1551 179.3047 44 F 4.6897 7.9205 117.5058 60.6392 38.5734 177.5863 45 A 2.7033 7.3122 119.5504 54.5297 18.0591 179.3300 46 E 3.9608 7.5807 115.7590 59.4959 29.6576 179.0257 47 Q 3.9561 7.8217 117.9693 58.5488 30.7705 177.4052 48 Y 4.5977 8.1626 120.5296 56.4879 34.7539 176.5853 49 S 4.3662 7.9003 115.3145 60.6570 63.9103 176.1033 50 D 4.5605 8.2826 119.3394 55.5627 40.8993 175.5684 51 A 5.0443 8.0632 120.6431 49.8719 22.1264 175.4257 52 A 4.4955 8.7722 123.0679 50.8257 20.6959 176.3498 53 F 4.9510 8.6763 121.3697 56.4568 41.6566 174.6729 54 Y 5.4895 8.8870 119.0012 56.6704 43.0561 173.8919 55 K 5.1915 9.0361 118.8541 55.4317 37.0014 175.0791 56 L 4.9147 8.9854 123.2485 53.4127 45.7722 174.5854 57 D 3.5505 8.5264 126.2711 53.3658 41.1371 177.1280 58 V 3.6214 8.2777 121.1908 64.4200 31.7521 177.9333 59 D 4.6892 8.4457 117.8923 55.3568 41.2227 176.8463 60 E 4.3526 7.9492 117.7111 57.2981 31.4172 176.8949 61 V 4.4388 7.5534 117.1725 61.2160 31.8178 176.3924 62 S 4.3006 8.4041 121.5461 61.1623 63.0797 176.2042 63 D 4.3261 8.0924 120.9181 56.7694 38.9307 178.8226 64 V 3.3842 7.6948 119.2526 65.2669 31.4283 177.6596 65 A 3.8809 7.7867 120.1737 55.2311 18.0930 179.6990 66 Q 3.8894 8.5063 117.0521 58.9731 28.5644 178.9666 67 K 4.0246 8.0650 118.4763 58.7436 32.2618 178.4481 68 A 4.1871 7.9687 118.7542 51.4073 19.7680 176.5671 69 E 3.4988 7.3380 116.2013 57.0556 27.1144 175.5527 70 V 3.9949 7.9213 117.8817 61.5098 32.4082 175.0949 71 S 4.7671 8.4422 120.2152 57.8533 63.6477 173.6670 72 S 4.7458 7.5765 114.6732 58.0412 66.5325 173.3020 73 M 5.1371 8.3086 121.8424 52.9001 35.4264 173.6314 74 P 4.8843 0.0000 0.0000 62.9653 33.7776 174.9422 75 T 5.0416 8.9877 117.8647 61.9791 71.8721 172.8470 76 L 5.1609 8.9870 127.2727 53.5557 43.4940 175.6432 77 I 4.7910 8.7922 125.2539 59.4816 40.2273 174.6949 78 F 4.9952 9.2602 125.0729 56.0264 41.2350 174.1206 79 Y 5.3164 9.4538 122.0450 56.2150 41.1953 175.0642 80 K 4.5709 9.2495 123.9930 55.5244 36.0939 176.3669 81 G 3.7311 9.5662 116.1252 46.8670 0.0000 174.6845 82 G 3.9570 8.5828 107.0548 44.8156 0.0000 174.3215 83 K 4.7018 7.5038 119.4909 53.9726 34.6261 175.1935 84 E 4.1197 8.8255 123.7030 56.4305 29.9235 176.4599 85 V 3.8998 8.8624 127.7541 65.7668 32.6813 175.1080 86 T 4.4856 7.5025 112.6846 62.0129 70.6962 171.5523 87 R 5.3300 8.3247 117.6378 55.1551 32.6413 174.7546 88 V 4.2651 9.2730 120.4112 61.3231 34.2397 174.9279 89 V 4.2991 9.2195 129.6203 64.9222 30.9989 173.9806 90 G 4.1613 8.3122 112.5071 43.0926 0.0000 172.7766 91 A 4.3006 8.1222 126.2530 50.9607 16.7397 177.5197 92 N 4.8551 7.7260 118.8082 49.8849 40.1902 171.8362 93 P 4.4683 0.0000 0.0000 65.5668 31.6775 177.9045 94 A 3.9929 8.1127 118.4326 55.2464 18.2706 179.4102 95 A 3.9151 8.2518 119.1323 55.2077 18.4421 179.8988 96 I 3.7701 8.1333 118.6774 64.3859 37.1641 178.4779 97 K 3.1671 8.0832 120.5947 59.3059 32.0007 178.4055 98 Q 3.7914 7.8818 119.4606 59.1705 28.7222 178.0281 99 A 3.5514 7.6935 120.5616 55.1134 18.3463 179.5150 100 I 3.7402 7.6353 117.7522 64.3907 36.9918 178.2396 101 A 3.9036 7.3796 121.8335 55.3173 18.1957 179.1654 102 S 4.2613 7.8595 108.0034 60.1019 63.3464 174.5689 103 N 4.8593 7.4898 116.9781 52.5402 39.3109 174.8768 104 V 3.8181 7.7688 123.4872 62.0455 31.3230 175.9070 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 M 8.30 4.57 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 V 7.95 4.18 2.03 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 0.77 0.00 0.00 0.96 0.00 0.00 3 T 8.36 4.26 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 1.37 0.00 0.00 4 Q 8.77 4.63 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 5 L 9.38 4.54 0.00 1.50 1.59 0.80 0.54 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 6 K 9.48 4.44 0.00 1.96 1.83 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.51 7.81 7 S 7.47 4.57 0.00 4.00 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 8 A 8.49 3.99 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 9 S 8.14 4.03 0.00 3.90 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 10 E 7.99 3.88 0.00 2.22 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 2.32 2.32 0.00 11 Y 7.91 3.87 0.00 2.98 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 12 D 8.12 4.06 0.00 2.64 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 13 S 8.03 4.11 0.00 3.99 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 14 A 7.55 3.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.17 3.82 0.00 1.44 1.37 0.04 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.36 4.54 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 17 S 7.67 4.40 0.00 3.93 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 18 G 9.09 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 19 D 8.99 4.73 0.00 2.84 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 20 K 7.75 4.07 0.00 1.72 1.74 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 21 L 8.57 4.33 0.00 1.79 1.52 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.96 4.76 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 0.91 0.00 0.00 1.07 0.00 0.00 23 V 8.50 4.36 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 0.35 0.00 0.00 0.36 0.00 0.00 24 V 8.60 4.75 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 0.54 0.00 0.00 0.99 0.00 0.00 25 D 9.12 4.98 0.00 2.80 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 26 F 9.62 5.09 0.00 3.16 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 27 F 8.83 5.51 0.00 3.04 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 28 A 8.02 4.47 -0.52 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 29 T 8.36 4.08 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 1.36 0.00 0.00 30 W 7.95 4.32 0.00 3.41 3.47 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 31 C 7.22 4.48 0.00 2.47 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 32 G 8.76 3.60 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 33 P 0.00 4.28 0.00 2.19 2.16 0.00 3.66 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 2.16 2.23 0.00 34 C 8.30 4.15 0.00 3.16 3.17 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 0.00 0.00 0.00 0.00 35 K 7.53 3.85 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.47 7.81 36 M 8.06 4.16 0.00 1.99 2.23 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 2.64 2.82 0.00 37 I 7.66 4.06 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.97 0.00 0.00 38 A 7.57 3.88 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 39 P 0.00 4.05 0.00 2.06 2.02 0.00 3.61 0.00 0.00 3.76 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 40 M 7.78 3.57 0.00 1.50 2.02 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 41 I 7.51 3.69 1.97 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 1.71 0.91 1.01 0.00 0.00 42 E 7.87 3.76 0.00 1.99 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 2.21 2.40 0.00 43 K 7.78 3.75 0.00 1.62 1.76 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.47 7.81 44 F 7.92 4.69 0.00 3.19 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 45 A 7.31 2.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.58 3.96 0.00 2.07 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 2.27 2.32 0.00 47 Q 7.82 3.96 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.29 0.00 0.00 0.00 0.00 0.00 1.53 2.08 0.00 48 Y 8.16 4.60 0.00 3.39 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 49 S 7.90 4.37 0.00 4.01 4.02 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 50 D 8.28 4.56 0.00 2.81 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 51 A 8.06 5.04 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 52 A 8.77 4.50 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 53 F 8.68 4.95 0.00 2.90 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 54 Y 8.89 5.49 0.00 2.88 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 55 K 9.04 5.19 0.00 2.03 1.85 0.00 0.90 0.00 0.00 1.35 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.54 7.81 56 L 8.99 4.91 0.00 1.43 1.00 0.73 1.38 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 57 D 8.53 3.55 0.00 2.41 2.33 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 58 V 8.28 3.62 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 0.89 0.00 0.00 0.83 0.00 0.00 59 D 8.45 4.69 0.00 2.80 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 60 E 7.95 4.35 0.00 2.02 1.96 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 2.22 2.22 0.00 61 V 7.55 4.44 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 1.01 0.00 0.00 0.98 0.00 0.00 62 S 8.40 4.30 0.00 3.90 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 63 D 8.09 4.33 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 64 V 7.69 3.38 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 0.38 0.00 0.00 0.74 0.00 0.00 65 A 7.79 3.88 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 66 Q 8.51 3.89 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 67 K 8.06 4.02 0.00 1.68 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 68 A 7.97 4.19 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 E 7.34 3.50 0.00 2.02 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 2.22 2.20 0.00 70 V 7.92 3.99 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 0.67 0.00 0.00 -0.02 0.00 0.00 71 S 8.44 4.77 0.00 3.97 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 72 S 7.58 4.75 0.00 3.86 3.79 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 73 M 8.31 5.14 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 74 P 0.00 4.88 0.00 2.21 2.24 0.00 3.68 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 2.13 2.04 0.00 75 T 8.99 5.04 4.27 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 1.22 0.00 0.00 76 L 8.99 5.16 0.00 1.74 1.45 0.95 0.67 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 77 I 8.79 4.79 2.18 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.53 0.00 0.00 78 F 9.26 5.00 0.00 2.94 2.93 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 79 Y 9.45 5.32 0.00 2.86 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 80 K 9.25 4.57 0.00 1.79 1.63 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 81 G 9.57 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 82 G 8.58 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 83 K 7.50 4.70 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 84 E 8.83 4.12 0.00 1.83 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 2.20 2.13 0.00 85 V 8.86 3.90 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 0.72 0.00 0.00 0.97 0.00 0.00 86 T 7.50 4.49 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 0.85 0.00 0.00 87 R 8.32 5.33 0.00 2.00 1.99 0.00 3.39 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 88 V 9.27 4.27 2.30 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 1.01 0.00 0.00 0.97 0.00 0.00 89 V 9.22 4.30 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 0.84 0.00 0.00 0.94 0.00 0.00 90 G 8.31 4.16 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 0.00 91 A 8.12 4.30 1.34 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 0.00 0.00 0.00 92 N 7.73 4.86 0.00 2.78 2.75 0.00 0.00 7.04 7.71 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 93 P 0.00 4.47 0.00 2.31 2.28 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 94 A 8.11 3.99 1.34 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 0.00 0.00 0.00 95 A 8.25 3.92 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 96 I 8.13 3.77 2.21 0.00 0.00 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 1.64 0.90 1.21 0.00 0.00 97 K 8.08 3.17 0.00 1.43 1.64 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.07 7.81 98 Q 7.88 3.79 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 99 A 7.69 3.55 0.38 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 0.00 100 I 7.64 3.74 1.40 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.36 0.00 0.00 101 A 7.38 3.90 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 0.00 102 S 7.86 4.26 0.00 3.93 3.92 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 0.00 103 N 7.49 4.86 0.00 2.65 2.81 0.00 0.00 6.98 7.99 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 0.00 104 V 7.77 3.82 2.26 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 0.77 0.00 0.00 1.05 0.00 0.00