NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 W 4.7323 8.2744 117.8199 55.5258 30.1057 174.7023 5 V 3.4163 6.6363 120.3802 59.9935 31.1543 173.2703 6 P 4.5543 0.0000 0.0000 62.0939 32.9158 174.9890 7 P 4.2016 0.0000 0.0000 65.3532 29.5331 178.4600 8 E 4.2005 8.1537 115.5402 58.4412 29.7942 179.3582 9 V 3.5637 7.2814 113.9830 64.5326 31.4030 178.4197 10 F 4.0601 8.1640 117.3175 60.0401 39.0030 176.7947 11 D 4.4282 8.0612 118.4869 55.9722 41.6452 177.7417 12 L 4.1117 7.3189 117.5716 57.1619 41.8137 178.6129 13 V 4.1933 7.7973 116.2092 63.2585 31.8430 177.4093 14 A 4.0607 7.5479 120.5157 55.8056 18.2114 179.1752 15 E 3.9012 8.1472 117.1196 59.6484 29.8032 178.6508 16 D 4.3587 8.0866 118.5079 56.9484 40.8616 178.3844 17 K 4.0050 8.7757 120.3892 59.5660 32.2597 178.6676 18 A 4.0219 8.2158 120.9945 55.1012 18.2285 179.5288 19 R 3.8311 8.1442 117.1569 59.9302 29.9339 178.1351 20 C 4.3816 8.6321 116.6802 60.2752 34.3044 175.9754 21 M 4.1012 8.6742 120.6909 58.4973 31.3301 178.7792 22 S 4.1006 7.9394 112.0054 61.5288 62.6852 175.7191 23 E 4.0513 8.3846 120.3711 58.8447 29.5102 178.0377 24 H 4.9342 8.0506 113.4641 54.6348 29.6011 175.6748 25 G 4.0261 7.8784 108.3306 46.2463 0.0000 173.8656 26 T 4.2681 7.8794 115.9667 63.1308 69.1989 174.3074 27 T 4.5234 8.5248 115.7737 59.8081 71.1019 175.5536 28 Q 3.8266 8.4993 122.9898 59.2573 28.9970 178.4473 29 A 3.9730 7.9453 121.4651 55.2634 18.4445 179.4409 30 Q 3.9621 8.0794 116.5382 59.0185 28.7471 179.0768 31 I 3.6244 7.4058 120.9689 64.4938 37.1810 178.0636 32 D 4.3808 8.3299 120.0598 57.5095 40.5438 178.5371 33 D 4.3339 8.1261 118.4019 57.3063 41.1601 178.4476 34 V 3.8667 7.6908 120.0559 65.6533 31.3734 177.7357 35 N 4.4895 8.1281 114.6540 55.3445 38.4290 176.4474 36 K 4.4685 7.6952 117.7979 56.0468 32.4833 177.3019 37 G 3.8750 8.3336 108.0224 45.4067 0.0000 173.1159 38 N 4.8469 8.5244 118.1848 51.1041 39.2621 173.7757 39 L 4.9391 8.3377 124.4758 53.2215 45.1129 175.7173 40 V 4.6035 8.2868 117.7442 59.5276 35.3762 175.6019 41 N 3.8577 8.0186 120.4347 52.3947 37.2868 174.9612 42 E 4.5330 7.4615 119.6168 54.0117 32.2014 174.7004 43 P 4.5400 0.0000 0.0000 65.0353 31.1873 178.6692 44 S 4.6115 8.0782 112.9600 60.2825 63.0735 175.3410 45 I 4.2629 7.6322 121.3060 62.8632 38.7277 177.4386 46 T 4.0338 8.2000 110.9881 65.1950 68.6117 176.0863 47 C 4.4038 8.5394 119.7342 59.3642 41.2686 175.4814 48 Y 3.9638 8.0029 121.0382 60.9263 38.5168 177.7750 49 M 3.9251 8.1971 119.6110 58.5007 32.0296 178.0661 50 Y 3.9851 7.9820 119.5832 60.7648 38.9774 177.1388 51 C 3.9151 8.3263 119.6939 59.7709 38.4493 175.4901 52 L 3.1845 7.4034 121.6111 57.5549 41.4493 178.6905 53 L 3.7325 7.4287 118.9907 57.6954 41.5538 179.1582 54 E 3.6089 7.7500 119.0745 59.0471 29.2715 178.6514 55 A 3.9471 7.3886 119.8053 54.6362 18.3889 178.5837 56 F 4.8354 7.2038 113.3482 56.7097 39.2247 175.9238 57 S 3.7898 7.7722 113.3359 59.7789 60.7484 172.9390 58 L 4.5015 8.0853 120.5053 55.2746 42.3260 177.0289 59 V 5.3714 7.5576 109.8394 58.5123 35.7623 174.5480 60 D 4.9496 8.2518 121.7025 51.6302 41.7160 176.4708 61 D 4.6157 8.7424 117.6015 55.8647 39.1892 176.5097 62 E 5.2112 8.3856 118.3741 55.2031 30.2603 175.2752 63 A 4.0497 8.3695 118.3820 53.2498 17.1135 178.1332 64 N 4.5864 8.5867 117.5509 54.4015 39.2547 175.0242 65 V 4.3276 8.2648 123.2935 62.2745 32.6115 176.0471 66 D 4.6087 8.9066 127.4101 53.3695 40.4443 176.2608 67 E 4.0010 8.4887 127.6066 58.8967 29.9089 177.8907 68 D 4.3280 8.0201 118.5513 57.4928 40.7979 178.5665 69 I 3.7073 7.5913 118.4629 64.4541 37.3784 177.8836 70 M 4.1847 8.1787 118.9609 58.7034 32.1369 178.2383 71 L 4.0463 8.4129 119.6634 57.7665 41.6363 179.6462 72 G 3.7282 8.0696 103.7896 46.6434 0.0000 173.9595 73 L 4.4206 7.4843 118.8148 54.7307 42.2955 176.4427 74 L 4.2390 7.3512 119.3692 51.9099 43.3643 174.8066 75 P 4.3721 0.0000 0.0000 62.4084 31.7587 176.7002 76 D 4.2324 8.7866 119.5633 57.6080 41.0348 178.0939 77 Q 4.2215 7.8962 113.3702 56.9425 29.1901 176.3438 78 L 4.2683 7.7385 120.4409 56.3174 42.5901 178.0063 79 Q 3.8767 7.5192 117.3292 58.9030 28.4790 178.3875 80 E 3.9031 8.0001 119.1661 59.4920 29.6130 179.2510 81 R 3.8456 7.9033 118.0062 59.1479 30.1168 178.2778 82 A 3.9575 8.2041 120.9612 55.1815 18.4141 179.2763 83 Q 3.8770 8.5326 118.5073 59.2930 28.5229 178.5361 84 S 4.0518 8.3243 114.4948 61.4958 62.4576 176.6336 85 V 3.6974 7.9554 121.8614 65.1312 31.2428 178.1923 86 M 4.2212 8.5252 119.4874 57.8223 31.5075 178.9012 87 G 3.6370 7.8371 105.5918 47.3014 0.0000 175.4100 88 K 4.1385 7.5083 120.2874 58.9811 32.4970 177.4930 89 C 4.6132 8.1466 113.6746 56.1366 41.0205 173.4628 90 L 4.8802 6.9783 120.3499 51.8267 43.7429 174.5568 91 P 4.5510 0.0000 0.0000 62.3506 32.1744 176.3330 92 T 4.1773 8.1442 109.6088 61.9160 69.5551 173.7240 93 S 4.5870 7.9433 115.9212 56.5243 65.8565 173.9128 94 G 4.0312 7.8416 108.8359 45.6108 0.0000 172.1828 95 S 4.2765 8.5211 113.8183 60.4311 63.5177 173.8226 96 D 4.4063 7.3351 119.3368 51.6185 42.6781 175.8743 97 N 4.0690 8.2084 116.2534 56.5069 38.1496 178.3566 98 C 4.3250 7.9639 117.4202 60.1135 41.1621 175.5468 99 N 4.2037 8.9315 118.9651 56.2876 38.4852 177.1041 100 K 4.3169 8.1717 121.7561 59.1221 32.1598 179.3426 101 I 3.8872 7.7752 119.5289 64.0949 36.9394 177.7071 102 Y 4.0533 8.3375 120.9118 60.9730 38.6364 178.1730 103 N 4.0086 8.4064 117.3520 55.9410 38.5128 177.1831 104 L 3.7252 7.8494 121.4529 58.0171 42.1646 178.8121 105 A 2.5800 7.5393 120.9164 54.4099 18.1287 179.7088 106 K 3.5739 7.4788 116.9451 59.5736 31.6866 178.7531 107 C 4.1364 7.8494 118.5941 59.5338 43.5296 175.8155 108 V 3.5916 7.7608 120.0499 66.2692 30.9907 178.0739 109 Q 4.0364 8.0260 116.6913 58.9955 28.5654 178.4245 110 E 4.1327 8.1248 118.6164 58.3496 29.5499 178.3097 111 S 4.8679 7.4398 112.3442 58.5438 65.1924 174.1998 112 A 4.5407 8.3838 125.5199 50.7232 19.6965 174.2299 113 P 5.0533 0.0000 0.0000 63.6761 32.1640 176.5874 114 D 4.9866 8.2016 117.5972 55.5385 42.5620 177.9031 115 V 3.8522 7.8411 119.2969 64.8411 31.7895 175.9544 116 W 4.5293 8.2797 131.3966 56.1702 29.4523 174.1453 117 F 4.9748 8.4046 126.7764 55.8364 41.2688 174.4809 118 V 4.0085 7.7106 127.2899 60.7073 33.1004 175.5429 119 I 3.9036 8.1258 126.6298 61.6803 36.9741 175.7604 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 W 8.27 4.73 0.00 3.51 3.25 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 0.00 5 V 6.64 3.42 1.79 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 0.42 0.00 0.00 -0.09 0.00 0.00 6 P 0.00 4.55 0.00 2.57 2.23 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 7 P 0.00 4.20 0.00 2.21 2.17 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 8 E 8.15 4.20 0.00 2.15 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 2.36 2.33 0.00 9 V 7.28 3.56 1.69 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 0.60 0.00 0.00 0.37 0.00 0.00 10 F 8.16 4.06 0.00 3.32 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 11 D 8.06 4.43 0.00 2.67 2.72 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 12 L 7.32 4.11 0.00 1.76 1.67 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 4.19 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 1.23 0.00 0.00 0.75 0.00 0.00 14 A 7.55 4.06 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 15 E 8.15 3.90 0.00 2.07 1.99 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 2.40 2.42 0.00 16 D 8.09 4.36 0.00 2.90 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 17 K 8.78 4.00 0.00 1.91 2.13 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.69 7.81 18 A 8.22 4.02 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 19 R 8.14 3.83 0.00 1.91 2.10 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 20 C 8.63 4.38 0.00 3.06 3.08 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 21 M 8.67 4.10 0.00 2.15 2.15 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 2.95 2.18 0.00 22 S 7.94 4.10 0.00 3.95 4.03 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 23 E 8.38 4.05 0.00 1.90 1.68 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 2.30 2.52 0.00 24 H 8.05 4.93 0.00 3.36 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.88 4.03 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 0.00 26 T 7.88 4.27 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 0.78 0.00 0.00 27 T 8.52 4.52 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 1.18 0.00 0.00 28 Q 8.50 3.83 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 29 A 7.95 3.97 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 30 Q 8.08 3.96 0.00 2.20 2.14 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 2.37 2.37 0.00 31 I 7.41 3.62 1.91 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.81 0.00 0.00 32 D 8.33 4.38 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 33 D 8.13 4.33 0.00 3.01 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 34 V 7.69 3.87 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 1.43 0.00 0.00 1.10 0.00 0.00 35 N 8.13 4.49 0.00 2.91 3.00 0.00 0.00 7.06 7.24 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 36 K 7.70 4.47 0.00 1.90 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 37 G 8.33 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 38 N 8.52 4.85 0.00 3.13 2.78 0.00 0.00 6.39 7.53 0.00 0.00 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 L 8.34 4.94 0.00 1.57 1.50 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.29 4.60 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 0.81 0.00 0.00 0.93 0.00 0.00 41 N 8.02 3.86 0.00 1.44 2.29 0.00 0.00 6.86 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 42 E 7.46 4.53 0.00 1.98 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 0.00 2.26 2.29 0.00 43 P 0.00 4.54 0.00 2.15 2.12 0.00 3.85 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 2.09 1.98 0.00 44 S 8.08 4.61 0.00 4.04 4.09 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 45 I 7.63 4.26 1.90 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 1.76 1.40 1.03 0.00 0.00 46 T 8.20 4.03 4.55 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 1.35 0.00 0.00 47 C 8.54 4.40 0.00 3.01 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 48 Y 8.00 3.96 0.00 3.23 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 49 M 8.20 3.93 0.00 2.38 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.79 0.00 50 Y 7.98 3.99 0.00 3.13 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 51 C 8.33 3.92 0.00 3.12 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 52 L 7.40 3.18 0.00 1.10 1.04 0.64 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.43 3.73 0.00 1.62 1.57 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.75 3.61 0.00 1.24 1.68 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 2.14 2.32 0.00 55 A 7.39 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.20 4.84 0.00 2.96 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 57 S 7.77 3.79 0.00 4.06 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 58 L 8.09 4.50 0.00 1.82 1.73 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.56 5.37 2.22 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 1.03 0.00 0.00 0.57 0.00 0.00 60 D 8.25 4.95 0.00 2.93 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 61 D 8.74 4.62 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.39 5.21 0.00 1.95 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 2.17 2.22 0.00 63 A 8.37 4.05 1.45 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 0.00 0.00 64 N 8.59 4.59 0.00 3.09 2.79 0.00 0.00 6.68 7.84 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 65 V 8.26 4.33 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 0.86 0.00 0.00 1.04 0.00 0.00 66 D 8.91 4.61 0.00 2.75 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 67 E 8.49 4.00 0.00 2.10 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 2.38 2.42 0.00 68 D 8.02 4.33 0.00 2.73 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 69 I 7.59 3.71 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 1.41 0.75 0.92 0.00 0.00 70 M 8.18 4.18 0.00 2.25 2.17 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 2.63 2.60 0.00 71 L 8.41 4.05 0.00 1.82 1.66 0.91 0.79 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 72 G 8.07 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 73 L 7.48 4.42 0.00 1.77 1.71 0.86 1.08 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 74 L 7.35 4.24 0.00 1.50 1.04 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.37 0.00 2.30 2.16 0.00 2.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 76 D 8.79 4.23 0.00 2.73 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 77 Q 7.90 4.22 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 78 L 7.74 4.27 0.00 1.44 1.28 -0.24 0.85 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 79 Q 7.52 3.88 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 80 E 8.00 3.90 0.00 1.98 1.97 0.00 0.00 0.00 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 2.33 0.00 81 R 7.90 3.85 0.00 1.85 2.02 0.00 3.19 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 82 A 8.20 3.96 1.29 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 0.00 0.00 83 Q 8.53 3.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 84 S 8.32 4.05 0.00 3.97 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 85 V 7.96 3.70 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 0.83 0.00 0.00 0.95 0.00 0.00 86 M 8.53 4.22 0.00 2.08 2.36 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 2.68 2.90 0.00 87 G 7.84 3.64 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 0.00 88 K 7.51 4.14 0.00 1.80 2.04 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 C 8.15 4.61 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 90 L 6.98 4.88 0.00 1.78 1.58 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.55 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 T 8.14 4.18 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 1.26 0.00 0.00 93 S 7.94 4.59 0.00 3.97 3.94 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 94 G 7.84 4.03 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 0.00 95 S 8.52 4.28 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 96 D 7.34 4.41 0.00 2.82 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 97 N 8.21 4.07 0.00 2.09 1.45 0.00 0.00 6.84 7.66 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 98 C 7.96 4.32 0.00 3.05 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 99 N 8.93 4.20 0.00 2.70 2.80 0.00 0.00 7.27 6.69 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 0.00 100 K 8.17 4.32 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.48 7.81 101 I 7.78 3.89 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.14 1.19 0.00 0.00 102 Y 8.34 4.05 0.00 3.03 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 0.00 103 N 8.41 4.01 0.00 2.89 2.78 0.00 0.00 6.73 7.00 0.00 0.00 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 L 7.85 3.73 0.00 1.70 1.66 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.54 2.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.48 3.57 0.00 1.49 1.57 0.00 1.51 0.00 0.00 1.37 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.70 0.68 7.81 107 C 7.85 4.14 0.00 2.98 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 0.00 108 V 7.76 3.59 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 1.37 0.00 0.00 1.00 0.00 0.00 109 Q 8.03 4.04 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 110 E 8.12 4.13 0.00 2.09 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 2.31 2.36 0.00 111 S 7.44 4.87 0.00 3.86 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 0.00 112 A 8.38 4.54 1.27 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 0.00 0.00 113 P 0.00 5.05 0.00 2.25 2.39 0.00 3.77 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 1.96 2.00 0.00 114 D 8.20 4.99 0.00 2.74 2.85 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 0.00 115 V 7.84 3.85 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 0.85 0.00 0.00 0.97 0.00 0.00 116 W 8.28 4.53 0.00 3.54 3.13 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 0.00 117 F 8.40 4.97 0.00 2.78 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 0.00 118 V 7.71 4.01 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 0.97 0.00 0.00 0.97 0.00 0.00 119 I 8.13 3.90 1.89 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.58 0.88 0.00 0.00