NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4347 8.3349 115.4057 58.1534 64.1576 175.6429 4 V 4.2343 8.2157 111.2128 56.2149 33.8033 172.6183 5 P 4.1718 0.0000 0.0000 62.6358 32.1934 174.0613 6 P 5.1661 0.0000 0.0000 61.8403 32.1984 175.8075 7 G 4.1832 8.4018 107.0547 45.6930 0.0000 172.7675 8 D 5.3860 8.6661 119.7766 52.6426 41.5655 175.1504 9 I 4.7902 8.0143 111.8903 59.0885 40.8414 174.1436 10 N 5.1217 8.8729 120.3715 51.5889 41.3930 173.9346 11 T 5.6251 8.2894 111.9468 59.0267 72.3266 173.4630 12 Q 4.4889 8.2598 121.0899 53.4073 32.3980 173.5695 13 P 4.8767 0.0000 0.0000 62.7556 31.9982 175.8267 14 G 4.2323 7.9236 105.1818 45.0631 0.0000 172.5706 15 S 4.7932 8.0266 117.3842 59.0948 70.0800 175.2437 16 K 4.5066 7.7691 116.1357 56.8977 35.1422 174.3702 17 I 4.3919 8.1569 119.1672 60.1589 41.5398 173.8054 18 V 4.8179 8.3103 129.2820 61.3355 33.5045 174.5166 19 F 4.8004 9.4828 126.5511 55.9498 41.0912 174.3116 20 N 5.3761 9.3525 121.9306 51.9031 39.8867 175.2787 21 A 3.0878 8.4550 125.6691 50.4674 19.5288 175.1051 22 P 3.9447 0.0000 0.0000 62.1318 32.1861 176.8028 23 Y 4.8263 7.4296 119.4580 57.3968 36.6291 176.0047 24 D 4.9828 7.5030 113.8995 52.4380 40.8327 175.7429 25 D 4.6955 7.7848 116.1214 53.4055 44.9842 175.0907 26 K 4.8641 8.8341 123.4246 57.0775 32.7457 175.3267 27 H 4.7651 9.0848 127.9209 55.2728 32.1722 174.0188 28 T 4.8551 7.7731 120.4721 62.2801 70.5734 173.2149 29 Y 4.5847 9.1217 125.3983 57.1881 40.4612 174.2114 30 H 5.5079 8.7323 116.0441 54.4540 33.0578 173.4424 31 I 4.8521 8.9769 119.9649 59.6093 41.9599 174.2106 32 K 4.8640 8.8810 127.4138 54.9192 34.1294 174.7063 33 I 4.6800 8.8401 129.2635 59.9280 39.5112 174.9570 34 T 4.7543 8.5052 122.9898 61.6517 72.5975 173.0336 35 N 4.8496 9.0649 125.4609 53.1453 38.2508 175.0146 36 A 4.3233 8.5395 127.9268 53.5630 19.2267 177.6367 37 G 3.8516 8.5451 105.0300 45.3703 0.0000 173.5942 38 G 3.8275 8.5035 106.8038 46.1249 0.0000 174.1482 39 R 4.6249 7.5421 116.8044 53.6477 33.1584 175.2216 40 R 4.4511 8.1579 118.6964 57.3020 31.5433 175.3253 41 I 4.8316 8.5790 112.2091 59.9665 41.5855 173.8108 42 G 4.9126 9.6720 110.6289 44.3104 0.0000 171.9815 43 W 6.3000 9.4639 121.0186 55.0371 32.1158 173.9498 44 A 4.9759 9.8910 122.1425 50.8176 22.4710 174.9889 45 I 5.0474 8.5907 121.2411 59.6475 39.2975 175.4350 46 K 4.6795 9.3339 126.9529 55.0625 35.6014 175.5692 47 T 5.5229 8.3875 116.9805 59.8139 71.5311 173.9515 48 T 4.5146 8.4407 115.5523 63.6993 69.7305 175.0401 49 N 4.9286 7.9828 120.8353 51.8135 39.6472 174.1292 50 M 4.0236 8.2934 121.8868 57.9793 32.8160 178.5569 51 R 4.0050 8.1094 116.6887 59.2766 30.8936 177.8126 52 R 4.0220 8.2255 117.6859 58.7647 30.3472 176.4648 53 L 5.4845 7.1516 115.9073 53.6868 43.4554 176.0575 54 G 4.2833 8.2681 105.0847 45.4078 0.0000 172.4156 55 V 5.1294 8.1948 122.1283 59.5532 35.5092 174.0427 56 D 4.8868 7.9986 122.0382 53.3963 44.0855 174.1236 57 P 4.7739 0.0000 0.0000 62.2323 32.4425 174.4530 58 P 4.7722 0.0000 0.0000 63.8833 32.3831 175.6805 59 S 3.1034 7.0959 111.2946 57.3805 65.1623 175.2778 60 G 3.6572 5.3800 107.2573 45.9191 0.0000 171.6694 61 V 5.2097 8.5568 119.0459 61.0641 34.2313 175.2686 62 L 5.1375 8.9198 126.4331 53.1657 45.5177 176.9196 63 D 5.0685 10.4241 125.0448 53.3347 42.4148 174.0569 64 P 4.4621 0.0000 0.0000 63.9190 32.3032 177.2287 65 S 3.8919 8.9726 115.1306 59.0476 61.7380 171.3353 66 E 4.5204 7.6870 121.8490 55.8129 30.8943 175.1349 67 K 5.2174 8.2757 121.0036 55.5505 35.9417 175.4149 68 V 4.5212 9.0981 119.9394 60.0521 35.4975 174.0857 69 L 5.0197 8.5759 123.9046 53.7980 43.5062 175.0603 70 M 4.7300 9.0970 124.5204 53.4406 34.2088 174.6828 71 A 4.9308 8.6214 122.7153 50.5253 21.1450 176.0298 72 V 4.5991 8.6795 123.4931 62.0433 33.5817 175.1032 73 S 5.5230 8.9953 122.6933 57.1202 66.9245 172.9171 74 C 5.0258 8.9906 121.9232 58.1771 34.4725 173.2801 75 D 5.1304 8.7703 126.6284 53.5482 42.0446 175.6803 76 T 4.3372 8.5805 111.8382 62.4332 69.4567 174.1883 77 F 4.7791 7.4878 114.1950 57.3832 41.7645 173.6372 78 N 4.8152 8.8438 110.8248 51.2348 38.5710 175.6113 79 A 4.1869 8.0214 123.6685 54.4135 19.0081 179.0291 80 A 4.2320 8.1268 117.7971 53.9533 18.8780 177.6592 81 T 4.4054 8.4024 103.8857 63.0431 70.4833 174.9550 82 E 4.0798 7.9359 119.2278 55.1096 30.1648 175.7638 83 D 4.5404 8.2003 119.0578 54.3533 41.8344 175.8380 84 L 4.8667 8.2946 121.9252 54.4986 43.7821 176.6956 85 N 4.8535 9.2933 116.0081 53.4824 39.2814 175.1759 86 N 5.0200 8.1075 115.5216 52.9575 39.6221 173.6637 87 D 4.9993 7.9032 116.9397 53.1855 43.6458 175.5958 88 R 4.6903 8.1908 119.4938 55.3729 34.5908 173.4931 89 I 4.5596 9.4353 124.6074 59.5799 40.6791 173.9442 90 C 5.1684 9.9195 128.7018 57.7007 33.8610 172.2263 91 I 5.0745 8.9709 127.4358 59.7356 39.5131 174.2891 92 E 5.7178 9.5376 127.4018 54.4978 32.5009 175.2991 93 W 6.2414 9.3032 119.8263 56.4045 32.3280 173.1708 94 T 4.7016 9.1176 114.6499 60.8385 71.0745 172.7719 95 N 4.9984 8.8531 121.6904 52.7137 39.4000 174.2499 96 T 4.1859 7.6643 109.2194 58.6005 71.2984 172.6298 97 P 4.1451 0.0000 0.0000 63.9042 31.8710 178.0598 98 D 4.3804 8.1949 122.3853 56.9040 41.2469 177.5815 99 G 4.0086 7.8382 106.8791 43.1748 0.0000 171.1883 100 A 4.7762 8.0100 126.1564 50.5442 21.9299 176.2076 101 A 4.7072 8.2966 122.2395 50.3533 20.6363 178.7058 102 K 4.3026 8.5369 121.4624 56.0644 30.1357 175.0586 103 Q 4.4354 8.1163 117.2395 54.8021 31.7677 173.4628 104 F 4.5807 9.2526 128.4855 58.6213 40.0614 174.5135 105 R 3.6085 5.8400 125.4284 53.6522 31.5303 175.8307 106 R 3.7380 7.9979 124.4743 59.5548 30.5764 177.9014 107 E 4.2246 8.0526 118.2226 58.8992 29.1269 179.3171 108 W 4.6047 7.6796 117.4768 59.9530 29.0862 178.2317 109 F 4.2232 8.4446 116.9328 60.2724 38.8898 177.5007 110 Q 4.3157 8.3432 117.3478 59.4496 28.5819 177.4786 111 G 4.1652 8.1600 106.8380 45.6412 0.0000 170.9735 112 D 4.7381 9.0836 118.7401 51.9357 42.5157 176.8537 113 G 4.0003 7.4079 115.0706 46.4277 0.0000 170.8883 114 M 4.7162 8.0776 122.9649 53.3153 35.0522 174.9921 115 V 4.2538 8.0109 121.2109 61.1192 34.6134 174.3593 116 R 4.2121 8.3622 128.4158 54.7312 31.9113 174.9996 117 R 5.3247 8.1430 123.1066 54.3314 33.6955 174.4743 118 K 4.8026 10.0235 124.7402 54.7156 35.5168 174.1765 119 N 5.4535 8.9165 123.9033 51.5682 40.8769 174.1831 120 L 4.7304 9.0818 124.0289 52.3123 44.4242 174.0113 121 P 4.6373 0.0000 0.0000 62.1770 33.3744 175.0013 122 I 4.5360 7.6938 123.1773 60.1945 38.5052 174.6917 123 E 4.4759 8.9264 128.5980 54.5890 31.6461 174.0924 124 Y 5.0997 8.5946 125.3518 57.2855 39.2177 174.4104 125 N 4.9147 10.1098 124.7900 51.9732 40.8152 174.9350 126 L 4.2663 8.5837 125.3837 54.9752 41.9820 176.6087 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 S 8.33 4.43 0.00 3.95 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 4 V 8.22 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.17 0.00 2.14 2.04 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 6 P 0.00 5.17 0.00 2.12 2.16 0.00 2.97 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 7 G 8.40 4.18 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 0.00 8 D 8.67 5.39 0.00 2.87 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 9 I 8.01 4.79 1.37 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.39 0.00 0.00 10 N 8.87 5.12 0.00 2.49 2.64 0.00 0.00 6.88 7.03 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 11 T 8.29 5.63 4.32 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 1.05 0.00 0.00 12 Q 8.26 4.49 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.88 0.00 2.21 2.07 0.00 3.66 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 2.03 1.87 0.00 14 G 7.92 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 0.00 0.00 0.00 15 S 8.03 4.79 0.00 3.70 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 16 K 7.77 4.51 0.00 1.77 1.75 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.37 7.81 17 I 8.16 4.39 1.82 0.00 0.00 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 0.92 1.61 1.04 0.00 0.00 18 V 8.31 4.82 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 0.93 0.00 0.00 19 F 9.48 4.80 0.00 2.93 3.33 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 20 N 9.35 5.38 0.00 2.68 2.77 0.00 0.00 7.05 7.01 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 21 A 8.46 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 3.94 0.00 2.10 1.91 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.43 4.83 0.00 2.51 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 0.00 0.00 0.00 0.00 24 D 7.50 4.98 0.00 2.71 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 25 D 7.78 4.70 0.00 2.58 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 26 K 8.83 4.86 0.00 1.85 1.82 0.00 1.63 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.38 7.81 27 H 9.08 4.77 0.00 3.47 3.42 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.77 4.86 4.15 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 1.31 0.00 0.00 29 Y 9.12 4.58 0.00 2.70 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 30 H 8.73 5.51 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.98 4.85 1.76 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 1.08 0.62 0.88 0.00 0.00 32 K 8.88 4.86 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 I 8.84 4.68 1.27 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 0.78 0.28 0.40 0.00 0.00 34 T 8.51 4.75 4.13 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 0.00 0.00 1.13 0.00 0.00 35 N 9.06 4.85 0.00 2.75 2.79 0.00 0.00 6.75 8.04 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 36 A 8.54 4.32 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 37 G 8.55 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 38 G 8.50 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 0.00 0.00 0.00 39 R 7.54 4.62 0.00 1.77 1.81 0.00 3.22 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 40 R 8.16 4.45 0.00 1.72 1.82 0.00 3.08 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 41 I 8.58 4.83 2.26 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 1.29 0.94 1.11 0.00 0.00 42 G 9.67 4.91 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 0.00 0.00 0.00 43 W 9.46 6.30 0.00 3.58 3.33 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 44 A 9.89 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.59 5.05 2.11 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 1.07 1.01 0.00 0.00 46 K 9.33 4.68 0.00 1.73 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 47 T 8.39 5.52 4.22 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 1.22 0.00 0.00 48 T 8.44 4.51 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 1.23 0.00 0.00 49 N 7.98 4.93 0.00 2.60 2.53 0.00 0.00 7.15 7.68 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 50 M 8.29 4.02 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 51 R 8.11 4.00 0.00 1.95 1.96 0.00 3.17 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 1.62 1.59 0.00 52 R 8.23 4.02 0.00 1.78 1.74 0.00 2.70 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 53 L 7.15 5.48 0.00 1.55 1.61 0.77 0.81 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 54 G 8.27 4.28 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 0.00 55 V 8.19 5.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.89 0.00 2.86 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.30 2.09 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 58 P 0.00 4.77 0.00 2.00 2.11 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 59 S 7.10 3.10 0.00 2.72 2.95 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 0.00 0.00 0.00 60 G 5.38 3.66 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 61 V 8.56 5.21 2.20 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 0.95 0.00 0.00 1.22 0.00 0.00 62 L 8.92 5.14 0.00 1.82 1.57 1.47 0.68 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 63 D 10.42 5.07 0.00 2.60 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 65 S 8.97 3.89 0.00 4.00 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 66 E 7.69 4.52 0.00 2.09 1.92 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 2.33 2.28 0.00 67 K 8.28 5.22 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.10 4.52 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 0.43 0.00 0.00 1.00 0.00 0.00 69 L 8.58 5.02 0.00 1.60 1.60 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 M 9.10 4.73 0.00 1.95 2.30 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 2.51 2.57 0.00 71 A 8.62 4.93 1.14 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 0.00 0.00 0.00 72 V 8.68 4.60 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 1.30 0.00 0.00 0.98 0.00 0.00 73 S 9.00 5.52 0.00 3.89 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 74 C 8.99 5.03 0.00 3.63 3.29 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 0.00 75 D 8.77 5.13 0.00 2.83 2.66 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 76 T 8.58 4.34 4.31 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 1.29 0.00 0.00 77 F 7.49 4.78 0.00 3.37 2.95 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 0.00 0.00 0.00 78 N 8.84 4.82 0.00 2.73 2.74 0.00 0.00 7.47 8.77 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 79 A 8.02 4.19 1.39 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 0.00 0.00 0.00 80 A 8.13 4.23 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 81 T 8.40 4.41 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 1.22 0.00 0.00 82 E 7.94 4.08 0.00 1.91 1.91 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 2.55 2.30 0.00 83 D 8.20 4.54 0.00 2.63 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 84 L 8.29 4.87 0.00 1.74 1.71 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.29 4.85 0.00 2.67 2.87 0.00 0.00 6.72 8.37 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 86 N 8.11 5.02 0.00 2.66 2.77 0.00 0.00 6.88 8.06 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 87 D 7.90 5.00 0.00 2.54 2.42 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 88 R 8.19 4.69 0.00 1.84 1.68 0.00 3.16 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.44 4.56 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.91 0.00 0.00 90 C 9.92 5.17 0.00 2.85 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 91 I 8.97 5.07 2.09 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 1.25 0.67 0.96 0.00 0.00 92 E 9.54 5.72 0.00 2.13 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 2.37 2.34 0.00 93 W 9.30 6.24 0.00 3.77 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 94 T 9.12 4.70 3.95 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 0.00 0.00 0.47 0.00 0.00 95 N 8.85 5.00 0.00 2.76 2.65 0.00 0.00 7.22 7.05 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 96 T 7.66 4.19 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 -0.19 0.00 0.00 97 P 0.00 4.15 0.00 2.15 2.07 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 98 D 8.19 4.38 0.00 2.66 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 99 G 7.84 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.01 4.78 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 0.00 101 A 8.30 4.71 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 K 8.54 4.30 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 103 Q 8.12 4.44 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 104 F 9.25 4.58 0.00 2.97 2.94 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 0.00 0.00 0.00 105 R 5.84 3.61 0.00 0.67 0.68 0.00 2.97 0.00 0.00 2.81 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.00 106 R 8.00 3.74 0.00 1.90 1.85 0.00 3.31 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 107 E 8.05 4.22 0.00 1.74 1.91 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 2.28 2.38 0.00 108 W 7.68 4.60 0.00 3.34 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 0.00 109 F 8.44 4.22 0.00 3.21 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 0.00 110 Q 8.34 4.32 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 8.16 4.17 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 0.00 0.00 0.00 112 D 9.08 4.74 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 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 0.00 0.00 0.00 114 M 8.08 4.72 0.00 1.86 1.86 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 2.42 2.40 0.00 115 V 8.01 4.25 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 0.84 0.00 0.00 0.97 0.00 0.00 116 R 8.36 4.21 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.21 0.00 117 R 8.14 5.32 0.00 1.70 1.85 0.00 3.20 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 118 K 10.02 4.80 0.00 2.07 1.73 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 119 N 8.92 5.45 0.00 2.65 2.72 0.00 0.00 6.83 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 0.00 120 L 9.08 4.73 0.00 1.49 1.55 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.64 0.00 2.07 2.13 0.00 3.84 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 1.98 0.00 122 I 7.69 4.54 1.50 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.03 -0.36 0.00 0.00 123 E 8.93 4.48 0.00 1.98 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 2.23 2.25 0.00 124 Y 8.59 5.10 0.00 3.01 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 0.00 125 N 10.11 4.91 0.00 2.93 2.90 0.00 0.00 6.71 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 0.00 126 L 8.58 4.27 0.00 1.72 1.58 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00