NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3724 8.2893 120.3532 55.0560 32.3197 172.2845 2 L 4.4879 8.0374 121.2406 51.6515 41.9234 174.8796 3 M 4.4201 8.9514 121.1552 52.1276 35.4793 173.9429 4 P 4.5274 0.0000 0.0000 61.9763 32.0940 176.5555 5 R 4.1142 8.4743 119.4525 56.3827 30.6125 174.3023 6 R 3.4436 8.6829 121.6469 57.0815 30.1208 174.7691 7 M 4.8743 8.1664 121.6286 53.5606 36.2663 174.8224 8 K 4.0050 8.4010 119.8993 58.0641 32.8668 176.4483 9 Y 5.0532 7.4590 114.6613 56.1092 41.7545 174.2750 10 R 4.5069 8.6380 120.1003 55.3335 31.6233 172.5880 11 K 3.8034 8.8231 126.0116 56.0040 29.3594 175.4087 12 Q 4.5479 7.8847 120.6974 53.5748 31.5463 175.1371 13 Q 4.3075 8.6638 119.3888 55.9637 29.6629 177.9591 14 R 4.1508 8.6693 118.2648 58.1267 30.7179 178.7192 15 G 3.9619 8.5691 105.2239 45.8438 0.0000 172.0487 16 R 4.5660 8.2387 117.4085 55.6177 33.4020 176.4734 17 L 4.6307 8.2640 126.2721 53.8334 42.0015 178.0208 18 K 4.4083 7.3920 124.2821 55.4047 32.0942 181.3921 19 G 3.6380 9.0558 116.2321 47.0496 0.0000 172.2693 20 A 4.3655 8.5107 127.2670 51.7209 18.8041 176.0784 21 T 4.1934 8.3729 115.6492 63.8298 70.4641 171.7958 22 K 4.3851 7.7337 120.0292 53.2416 38.3537 174.1557 23 G 3.9481 8.9189 101.7245 43.6506 0.0000 172.9715 24 G 3.3793 8.8046 103.8138 46.6470 0.0000 174.6453 25 D 5.3718 9.4105 122.6076 54.6981 42.2024 173.7768 26 Y 4.8911 8.1299 115.4832 56.1813 38.7113 174.2889 27 V 3.9183 8.4366 121.7436 61.6769 31.9368 171.6171 28 A 4.0092 8.2024 120.2455 52.4202 20.9400 176.4596 29 F 4.1289 9.1643 115.4299 58.4767 41.9070 177.0423 30 G 4.6287 7.7673 108.7395 44.5815 0.0000 172.6414 31 D 4.4479 8.4391 117.0782 54.6384 41.3448 176.2424 32 Y 5.6662 6.7452 115.1747 58.0995 42.6432 173.5655 33 G 4.6068 9.2668 109.7826 44.5277 0.0000 170.6138 34 L 5.3410 8.5485 120.7873 53.1105 44.4516 175.3257 35 V 5.5941 8.6795 125.4691 59.0821 34.1879 175.3004 36 A 4.5176 8.5455 125.2829 51.6716 19.9614 177.6035 37 L 4.7486 8.4336 116.8686 54.2063 43.4443 176.7510 38 E 4.8649 7.8388 117.8717 53.6050 33.1341 173.5469 39 P 4.7347 0.0000 0.0000 63.0598 32.7336 175.2258 40 A 4.5514 9.2647 123.9217 51.0841 23.4980 174.2008 41 W 5.0478 8.6689 117.8541 55.4151 31.2610 175.9608 42 I 4.6102 8.6718 127.3120 60.0637 38.2429 176.1216 43 T 4.2378 8.7191 117.1799 60.9438 69.8126 175.5508 44 A 3.8073 8.5383 127.2531 55.3431 18.5067 179.0882 45 Q 4.4717 8.0087 110.9817 56.5886 29.3378 176.2891 46 Q 4.4028 8.7380 121.1198 58.4828 30.1007 177.0220 47 I 3.8545 7.7747 120.1779 64.5948 37.1856 177.4778 48 E 3.9413 8.2853 118.8619 59.6547 29.0936 179.1064 49 A 3.9902 8.0720 119.7564 55.0946 18.2808 179.2088 50 A 3.9415 8.0233 119.2527 54.6359 18.4475 180.0004 51 R 3.5998 7.8730 117.6219 59.5917 30.1655 178.3538 52 V 3.4463 7.9000 117.7347 66.4261 31.1993 177.8047 53 A 3.8924 7.3145 118.7192 56.1733 18.6162 178.5308 54 M 3.5878 7.6840 117.3808 57.3248 30.8505 178.2731 55 V 3.7157 7.9039 118.5348 65.4135 31.5270 178.3227 56 R 4.1218 8.3870 119.4186 59.6134 29.8497 176.8989 57 H 3.9765 8.1382 116.9223 58.2926 30.5454 175.7102 58 F 4.3793 8.1187 116.0102 62.6232 37.4750 179.2502 59 R 3.5628 7.7700 115.7798 57.9186 26.8793 176.6974 60 R 3.8525 7.8162 123.0972 57.2548 28.9177 176.3651 61 G 4.0896 7.7604 116.3707 45.1037 0.0000 175.2727 62 G 3.9545 7.5731 122.0619 45.2394 0.0000 173.5107 63 K 4.4042 8.5320 125.3457 54.5312 34.1181 175.0145 64 I 4.7097 8.1911 127.7279 60.1621 38.6885 175.1575 65 F 4.3114 9.2443 123.9890 57.6071 40.7435 175.7192 66 I 3.6468 8.5936 115.6815 58.6643 37.5796 175.8042 67 R 4.2807 7.9969 121.2513 55.1497 28.9806 176.2543 68 I 4.5717 7.2733 109.5545 59.1299 40.1132 174.6875 69 F 4.7814 8.1857 122.0675 56.3409 42.0390 171.7603 70 P 4.4263 0.0000 0.0000 62.7961 31.0707 175.2895 71 D 4.6102 8.3303 120.6461 52.5238 41.5947 174.5353 72 K 5.0484 8.0159 121.7981 53.8640 33.7671 173.6812 73 P 4.1660 0.0000 0.0000 62.6527 31.8565 175.7278 74 Y 4.2269 8.5760 128.7715 56.5277 38.7152 175.1078 75 T 5.0939 7.6195 116.8649 60.4341 71.1529 174.2177 76 K 4.4353 7.7901 122.3261 55.1567 35.5800 175.2417 77 K 4.3400 8.7528 128.8058 55.8677 33.3120 175.2647 78 P 4.5174 0.0000 0.0000 61.6180 29.8279 175.0133 79 L 3.7558 7.9531 118.3330 56.3783 41.4939 173.7842 80 E 4.4314 8.1266 112.1778 55.1405 31.0939 176.5538 81 V 4.2920 7.9567 125.1309 62.4800 35.5765 173.3992 82 R 4.6179 7.6863 113.5790 56.5858 33.6934 175.1932 83 M 4.1697 8.0463 118.5793 55.7473 32.9087 177.8658 84 G 3.7900 8.3217 111.0784 45.7770 0.0000 172.1924 85 K 4.4350 8.1923 118.3952 54.3248 34.1507 178.2019 86 G 3.8394 8.1386 111.7637 44.9939 0.0000 173.9956 87 K 3.7873 8.3929 126.3465 58.9033 32.7818 177.6023 88 G 4.5244 7.6822 108.9073 45.6253 0.0000 174.5583 89 N 4.3136 8.3191 114.9869 55.8976 38.8850 179.4884 90 V 2.5205 6.2054 112.5355 62.5491 34.7743 176.9377 91 E 4.4344 8.3167 124.7083 56.7607 30.3598 179.8586 92 G 3.5841 9.7754 114.0031 46.4752 0.0000 175.4752 93 Y 5.3118 8.4134 121.2141 55.9652 42.1408 173.1945 94 V 4.9173 8.5065 112.6626 59.7716 36.8732 174.2101 95 A 4.9642 8.9588 124.5444 50.0882 21.4266 176.4990 96 V 4.3006 8.4983 122.9776 61.3094 31.7781 175.1429 97 V 4.3650 8.5666 127.0627 61.4114 33.5899 174.8522 98 K 4.9575 8.4087 125.8522 53.5113 35.8866 173.8061 99 P 4.5393 0.0000 0.0000 64.4788 31.7962 176.9884 100 G 4.0398 8.7948 110.7952 45.0931 0.0000 173.5885 101 R 4.1682 7.8609 120.7431 56.4734 31.3890 175.7262 102 V 4.5782 8.4027 125.9126 62.0330 31.9703 174.7821 103 M 4.3738 9.0952 128.4961 54.3972 35.1016 181.2590 104 F 4.0304 9.8447 121.6389 57.6869 39.1950 175.9355 105 E 4.6739 10.1862 132.3128 57.1228 30.7944 172.4088 106 V 5.1371 9.1944 117.1139 60.4848 35.8427 173.6076 107 A 4.8255 8.7001 121.6954 52.2503 22.2671 175.6902 108 G 3.6081 8.8368 104.9187 45.8682 0.0000 174.2596 109 V 4.3690 7.2954 115.2149 60.2131 34.7838 173.4807 110 T 4.2194 8.3286 116.4532 61.3988 70.7041 175.3005 111 E 3.6067 8.9136 122.1695 59.5949 29.3347 178.8978 112 E 3.9998 8.1791 116.0053 57.8980 29.7651 177.4093 113 Q 4.5570 7.8212 119.1309 56.7526 31.0709 176.7732 114 A 4.2807 8.5750 122.4211 55.2767 18.6982 179.4226 115 M 4.0581 8.5977 117.3626 57.6879 31.8858 178.6323 116 E 3.8959 8.0416 119.4234 59.0460 29.9167 178.0321 117 A 3.6129 7.5183 120.7956 54.9393 18.2136 179.6797 118 L 3.9199 7.7420 117.3215 57.6834 41.7251 179.1007 119 R 3.8970 7.7360 117.3199 59.9434 30.1321 177.8439 120 I 3.6922 8.0897 119.2393 64.7935 36.9594 177.9227 121 A 3.9489 7.9436 121.1887 55.4458 17.8890 179.9284 122 G 3.6265 8.5793 104.3441 48.1057 0.0000 175.5855 123 H 4.3812 8.2935 118.0096 58.3672 28.9204 177.5066 124 K 4.1581 7.7781 118.9663 57.2035 32.2077 176.9220 125 L 4.6335 6.8477 118.7525 52.7342 42.7190 175.3536 126 P 4.6198 0.0000 0.0000 62.4403 30.9191 175.5551 127 I 4.5004 7.2160 110.5929 60.4453 40.5424 173.7723 128 K 4.2421 8.4301 120.4484 56.3015 32.5009 176.5246 129 T 5.2829 7.7068 111.5422 60.3522 72.7413 172.6302 130 K 4.2722 8.1007 117.8813 55.9062 36.0783 174.5293 131 I 4.6112 8.6255 128.7676 61.1645 38.3380 175.2915 132 V 4.1791 8.6635 124.2967 61.7546 35.2457 174.7043 133 R 4.6312 9.1200 124.0390 55.3580 30.8016 176.1210 134 R 5.4862 6.6025 135.0000 56.4653 33.5459 173.2207 135 D 4.4383 7.3366 121.2382 54.5860 41.8737 178.0470 136 A 4.0856 8.0638 121.5522 53.7863 18.8580 177.8076 137 Y 4.6692 7.0501 114.5344 58.4347 37.1866 177.3139 138 D 4.8216 7.7252 119.8923 52.3765 42.6629 176.9258 139 E 4.5118 8.3616 129.5898 55.8880 30.8717 175.7725 140 A 3.5676 8.7552 121.7376 52.3609 16.9913 177.5309 141 Q 3.9366 8.9881 118.4506 58.8855 28.6180 173.0629 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 8.29 4.37 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 2 L 8.04 4.49 0.00 2.02 1.73 1.14 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 M 8.95 4.42 0.00 1.90 1.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 4 P 0.00 4.53 0.00 1.92 2.02 0.00 2.76 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 5 R 8.47 4.11 0.00 1.91 1.92 0.00 3.17 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 6 R 8.68 3.44 0.00 1.89 1.89 0.00 3.15 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 7 M 8.17 4.87 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 8 K 8.40 4.00 0.00 1.47 1.35 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.00 7.81 9 Y 7.46 5.05 0.00 2.99 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 10 R 8.64 4.51 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 11 K 8.82 3.80 0.00 1.94 1.95 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.40 7.81 12 Q 7.88 4.55 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.41 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 13 Q 8.66 4.31 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 14 R 8.67 4.15 0.00 1.89 2.19 0.00 3.36 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 15 G 8.57 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 16 R 8.24 4.57 0.00 1.78 1.79 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 17 L 8.26 4.63 0.00 1.64 1.65 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.39 4.41 0.00 1.76 0.93 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.46 7.81 19 G 9.06 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 20 A 8.51 4.37 1.28 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 21 T 8.37 4.19 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 1.20 0.00 0.00 22 K 7.73 4.39 0.00 1.88 1.94 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.48 7.81 23 G 8.92 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 0.00 0.00 0.00 0.00 24 G 8.80 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 0.00 0.00 0.00 25 D 9.41 5.37 0.00 2.75 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 26 Y 8.13 4.89 0.00 3.00 2.87 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 27 V 8.44 3.92 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 0.53 0.00 0.00 1.07 0.00 0.00 28 A 8.20 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 9.16 4.13 0.00 1.66 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 30 G 7.77 4.63 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 31 D 8.44 4.45 0.00 2.56 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 0.00 0.00 0.00 0.00 32 Y 6.75 5.67 0.00 2.99 2.82 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 0.00 33 G 9.27 4.61 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 0.00 0.00 0.00 34 L 8.55 5.34 0.00 1.99 1.92 1.01 1.29 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 35 V 8.68 5.59 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 0.79 0.00 0.00 1.01 0.00 0.00 36 A 8.55 4.52 1.26 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 0.00 0.00 37 L 8.43 4.75 0.00 1.61 1.66 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.84 4.86 0.00 1.78 1.78 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 2.19 2.27 0.00 39 P 0.00 4.73 0.00 2.07 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 40 A 9.26 4.55 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 41 W 8.67 5.05 0.00 3.18 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 42 I 8.67 4.61 1.89 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 1.29 0.47 0.95 0.00 0.00 43 T 8.72 4.24 4.19 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 1.12 0.00 0.00 44 A 8.54 3.81 1.37 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 0.00 0.00 0.00 45 Q 8.01 4.47 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 46 Q 8.74 4.40 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 47 I 7.77 3.85 2.09 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 1.59 0.97 1.11 0.00 0.00 48 E 8.29 3.94 0.00 2.12 2.07 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 2.33 2.40 0.00 49 A 8.07 3.99 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 50 A 8.02 3.94 1.37 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 0.00 0.00 0.00 51 R 7.87 3.60 0.00 2.00 2.07 0.00 3.14 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 1.59 1.61 0.00 52 V 7.90 3.45 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 0.92 0.00 0.00 1.02 0.00 0.00 53 A 7.31 3.89 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 54 M 7.68 3.59 0.00 1.96 1.66 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 55 V 7.90 3.72 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 0.81 0.00 0.00 0.95 0.00 0.00 56 R 8.39 4.12 0.00 1.78 2.00 0.00 3.30 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 57 H 8.14 3.98 0.00 3.11 2.88 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.12 4.38 0.00 3.15 3.34 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 59 R 7.77 3.56 0.00 1.90 2.19 0.00 3.48 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 60 R 7.82 3.85 0.00 2.08 1.93 0.00 3.33 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 61 G 7.76 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 0.00 0.00 0.00 62 G 7.57 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 0.00 0.00 0.00 0.00 63 K 8.53 4.40 0.00 1.74 1.54 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.33 1.02 7.81 64 I 8.19 4.71 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.98 0.00 0.00 65 F 9.24 4.31 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 66 I 8.59 3.65 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.10 0.00 0.00 67 R 8.00 4.28 0.00 2.16 2.21 0.00 3.43 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 68 I 7.27 4.57 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.84 0.00 0.00 69 F 8.19 4.78 0.00 2.88 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 70 P 0.00 4.43 0.00 2.04 1.92 0.00 3.12 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.72 0.00 71 D 8.33 4.61 0.00 2.64 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 72 K 8.02 5.05 0.00 1.75 1.61 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.65 0.92 7.81 73 P 0.00 4.17 0.00 1.92 2.11 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 74 Y 8.58 4.23 0.00 2.78 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 75 T 7.62 5.09 4.30 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 1.08 0.00 0.00 76 K 7.79 4.44 0.00 1.90 1.65 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 77 K 8.75 4.34 0.00 1.73 1.68 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 P 0.00 4.52 0.00 2.21 2.06 0.00 3.91 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 79 L 7.95 3.76 0.00 1.81 1.81 0.92 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 80 E 8.13 4.43 0.00 1.92 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 2.19 2.34 0.00 81 V 7.96 4.29 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 0.62 0.00 0.00 0.93 0.00 0.00 82 R 7.69 4.62 0.00 1.73 1.87 0.00 3.36 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 83 M 8.05 4.17 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 84 G 8.32 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 0.00 0.00 0.00 85 K 8.19 4.44 0.00 1.69 1.67 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.32 7.81 86 G 8.14 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 0.00 0.00 0.00 87 K 8.39 3.79 0.00 1.71 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 88 G 7.68 4.52 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 0.00 89 N 8.32 4.31 0.00 2.66 2.75 0.00 0.00 7.30 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 90 V 6.21 2.52 2.07 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 0.84 0.00 0.00 0.94 0.00 0.00 91 E 8.32 4.43 0.00 2.13 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 0.00 2.29 2.26 0.00 92 G 9.78 3.58 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 0.00 0.00 0.00 93 Y 8.41 5.31 0.00 2.78 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 94 V 8.51 4.92 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 0.58 0.00 0.00 0.53 0.00 0.00 95 A 8.96 4.96 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 96 V 8.50 4.30 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 0.73 0.00 0.00 1.13 0.00 0.00 97 V 8.57 4.36 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 0.92 0.00 0.00 0.93 0.00 0.00 98 K 8.41 4.96 0.00 1.73 1.68 0.00 1.75 0.00 0.00 2.08 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.47 7.81 99 P 0.00 4.54 0.00 2.03 2.00 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 100 G 8.79 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 0.00 0.00 0.00 101 R 7.86 4.17 0.00 2.13 1.80 0.00 3.12 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 V 8.40 4.58 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 1.00 0.00 0.00 1.06 0.00 0.00 103 M 9.10 4.37 0.00 1.12 1.30 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 104 F 9.84 4.03 0.00 3.29 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 0.00 105 E 10.19 4.67 0.00 2.35 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 0.00 2.40 2.53 0.00 106 V 9.19 5.14 2.28 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 0.94 0.00 0.00 1.18 0.00 0.00 107 A 8.70 4.83 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 0.00 108 G 8.84 3.61 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 0.00 0.00 0.00 109 V 7.30 4.37 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 0.91 0.00 0.00 0.46 0.00 0.00 110 T 8.33 4.22 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 111 E 8.91 3.61 0.00 1.82 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 2.42 2.36 0.00 112 E 8.18 4.00 0.00 2.15 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 0.00 2.30 2.33 0.00 113 Q 7.82 4.56 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 114 A 8.57 4.28 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 0.00 115 M 8.60 4.06 0.00 1.95 2.14 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 2.25 2.29 0.00 116 E 8.04 3.90 0.00 2.08 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 2.42 2.42 0.00 117 A 7.52 3.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.92 0.00 1.74 1.77 1.05 0.92 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 0.00 119 R 7.74 3.90 0.00 1.92 2.28 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 120 I 8.09 3.69 1.90 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 1.63 0.73 0.83 0.00 0.00 121 A 7.94 3.95 1.13 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 0.00 0.00 122 G 8.58 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 0.00 123 H 8.29 4.38 0.00 3.27 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.78 4.16 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.58 7.81 125 L 6.85 4.63 0.00 1.92 1.66 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.62 0.00 2.18 2.15 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 127 I 7.22 4.50 1.87 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 1.43 0.46 0.97 0.00 0.00 128 K 8.43 4.24 0.00 1.92 1.76 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.57 7.81 129 T 7.71 5.28 4.30 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 1.26 0.00 0.00 130 K 8.10 4.27 0.00 1.78 1.67 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.52 7.81 131 I 8.63 4.61 1.90 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 1.29 0.69 1.06 0.00 0.00 132 V 8.66 4.18 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 1.03 0.00 0.00 1.01 0.00 0.00 133 R 9.12 4.63 0.00 2.20 1.84 0.00 3.49 0.00 0.00 3.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 134 R 6.60 5.49 0.00 1.82 1.75 0.00 3.15 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 0.00 135 D 7.34 4.44 0.00 2.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.06 4.09 1.09 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 0.00 0.00 137 Y 7.05 4.67 0.00 3.18 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 0.00 138 D 7.73 4.82 0.00 2.49 2.36 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 0.00 139 E 8.36 4.51 0.00 2.11 1.90 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 2.30 2.31 0.00 140 A 8.76 3.57 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 0.00 141 Q 8.99 3.94 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.60 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00