NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9069 8.3544 109.7387 45.6840 0.0000 172.1930 -1 S 4.6190 8.0428 112.9365 55.1234 64.6650 170.8114 0 H 4.7615 8.8153 119.1352 55.1058 31.5721 172.2644 1 M 4.3829 8.3636 119.8287 53.8023 33.1835 176.2631 2 A 4.3111 8.4216 124.2321 52.0222 19.9216 176.2240 3 A 4.4690 8.4958 121.1127 50.8764 21.6494 176.1625 4 R 5.3886 7.9992 117.4820 55.6075 33.2679 174.1501 5 T 4.8656 9.2294 115.1064 60.1317 72.4906 172.7704 6 D 5.0711 8.6842 122.9064 53.4071 43.5563 173.7700 7 N 5.1709 9.3109 123.4191 51.6120 42.6455 173.9969 8 S 5.3674 8.0883 115.9397 56.4078 67.5944 173.0332 9 I 4.1305 7.6392 118.4880 60.2043 41.1382 172.7972 10 V 4.5893 8.2895 128.3162 61.4429 33.0109 174.7752 11 V 4.3233 8.6380 128.4020 60.5249 33.3171 176.1701 12 N 4.8439 9.4514 128.0899 51.3530 36.5014 174.0412 13 A 4.5903 7.1568 121.4848 48.9968 23.0451 174.5529 14 P 4.4720 0.0000 0.0000 61.8796 33.4259 177.5617 15 F 4.2096 8.9420 121.7199 61.7723 39.1147 176.7806 16 E 3.6883 8.4491 118.1492 59.3910 29.2080 178.5775 17 L 3.9053 7.7802 119.3558 58.1925 42.3261 178.8091 18 V 3.6252 7.7184 118.2400 65.6584 31.4160 177.7887 19 W 3.5814 8.4402 128.3358 60.4511 30.2504 177.6973 20 D 4.4010 8.0940 117.6177 57.2874 40.5452 178.8299 21 V 3.8046 8.0727 119.0560 66.3154 31.4982 178.2461 22 T 4.3796 7.9784 107.4637 63.8473 68.6585 174.9460 23 N 5.0609 7.5875 117.2287 52.3237 39.9942 175.4146 24 D 4.5462 7.9688 122.4043 52.7924 40.3189 176.1844 25 I 2.7897 7.6538 127.0585 63.7630 36.9552 177.1074 26 E 3.8989 8.1619 118.5496 58.8580 29.7106 177.7881 27 A 4.4710 8.1968 119.0924 52.5796 19.0916 178.8567 28 W 4.7390 8.3545 118.5092 59.7527 29.0002 176.5520 29 P 5.3849 0.0000 0.0000 64.1496 30.8335 177.2717 30 E 4.4454 8.0382 116.8513 58.0237 30.4852 177.3354 31 L 4.2436 8.4604 118.4643 56.2677 41.9457 177.3717 32 F 4.6130 8.6597 119.8471 55.5956 39.6741 177.1691 33 S 4.2406 8.6495 121.2561 60.8640 63.3288 175.2547 34 E 3.9567 8.1958 121.7324 58.1269 30.0078 174.9724 35 Y 5.2995 7.7080 117.3287 56.5892 38.9645 176.7407 36 A 4.2561 9.4057 127.9818 54.5135 19.4350 177.4066 37 E 4.7716 8.0901 112.3386 55.0809 34.5681 175.4230 38 A 4.4011 8.4896 124.2009 50.9854 20.9509 174.2720 39 E 4.5139 9.2164 122.8589 54.8854 32.1031 175.0732 40 I 4.1121 8.2954 128.4642 61.7123 37.2225 175.7023 41 L 4.5148 9.1520 127.9277 56.6522 42.7371 177.1590 42 R 4.4916 7.6750 112.0256 55.6516 32.8206 174.6187 43 Q 4.8142 8.4814 120.3114 54.6665 28.1457 176.8938 44 D 4.6915 8.4863 127.2920 54.0011 39.9791 177.4875 45 G 3.9793 8.2178 109.1626 46.4615 0.0000 175.4353 46 D 4.5875 8.3633 121.4380 55.5074 41.0452 176.9693 47 G 3.9467 7.6301 109.0459 45.1185 0.0000 171.4902 48 F 5.4958 8.2979 116.8883 55.9505 42.2147 173.3243 49 D 5.6631 9.2987 119.7999 52.6601 43.5635 175.5996 50 F 5.3140 9.2351 116.7251 55.4194 42.0986 173.0517 51 R 4.6321 9.0286 121.2557 54.8588 32.0002 174.9696 52 L 4.7378 7.7247 125.2281 52.5485 45.5927 175.4541 53 K 5.0684 8.3536 122.9429 55.0784 35.5789 175.7212 54 T 5.0424 9.0776 118.2543 61.2264 70.3021 174.6900 55 R 4.5121 8.6381 122.2215 54.7573 31.1182 175.0920 56 P 4.5313 0.0000 0.0000 63.3315 31.7220 176.1671 57 D 4.7913 8.7386 120.6891 52.0488 41.2143 176.5560 58 A 4.0098 8.7508 121.0673 55.4909 18.1044 178.3219 59 N 4.5573 8.4372 110.4272 53.8674 39.1644 176.0311 60 G 3.9506 8.6556 107.2113 45.0820 0.0000 173.3698 61 R 4.0582 8.4846 120.6019 55.0807 30.8589 175.4323 62 V 4.8157 7.7448 123.2644 60.7523 34.4212 174.3538 63 W 5.0267 9.4876 126.4973 55.1594 32.2656 174.4879 64 E 5.2594 9.0535 123.3594 54.8076 32.3249 173.8775 65 W 5.3088 8.4578 122.5779 55.9035 32.4029 172.9587 66 V 4.7556 8.8543 119.7740 61.0465 33.9630 174.3860 67 S 4.9468 8.5922 120.6319 56.8832 67.1982 172.1057 68 H 5.1686 8.7514 121.7868 54.9320 31.2151 173.5061 69 R 4.5413 8.3527 126.7725 54.3725 32.9862 174.7204 70 V 4.5969 8.8792 126.4287 60.1618 32.9459 172.3645 71 P 4.8121 0.0000 0.0000 62.5456 32.7814 176.2535 72 D 4.7346 9.8066 121.3185 52.0778 41.3249 175.2270 73 K 2.4800 8.6562 124.5350 58.3314 32.6243 178.8547 74 G 3.6137 7.9950 106.0093 48.3227 0.0000 173.9427 75 S 4.4664 7.9606 112.9153 57.3453 63.4425 174.0212 76 R 3.7710 7.9053 119.6933 57.1175 28.1367 175.2949 77 T 5.4669 7.7822 109.0750 60.9433 71.8484 172.4289 78 V 5.1249 9.2085 124.7402 61.4220 35.3450 174.3619 79 R 5.2677 8.6125 124.1790 54.8649 34.5906 173.9525 80 A 5.3367 8.7792 121.6314 52.6112 23.4318 174.7099 81 H 5.2466 8.1063 112.5905 54.4225 31.6729 173.4810 82 R 4.5930 8.8008 120.1531 56.6755 30.1617 177.1210 83 V 4.3501 8.2889 113.4656 61.1086 33.7611 176.0946 84 E 4.3885 8.0492 118.7781 55.6650 30.5597 176.6576 85 T 4.4444 8.2405 117.5258 62.3653 67.2329 174.7216 86 G 4.4008 7.9650 119.0865 43.6419 0.0000 169.2896 87 P 4.3821 0.0000 0.0000 65.1233 32.5915 176.3872 88 F 4.6451 7.6052 120.4900 56.6496 38.9823 175.9496 89 A 4.3938 9.3384 127.2820 55.1746 19.0361 176.9803 90 Y 4.8800 7.6488 110.2199 56.9687 41.3403 173.7004 91 M 5.3332 8.4225 119.7631 54.9160 35.5878 172.9306 92 N 5.5867 9.6504 123.6165 51.0412 41.5744 173.0199 93 L 5.3787 9.2495 121.9921 53.8442 46.2065 174.9086 94 H 5.3993 9.5241 123.6340 54.9274 33.3662 171.8607 95 W 5.7148 9.6969 126.7160 55.2201 32.0856 175.0990 96 T 5.4694 9.0712 113.3373 60.2421 72.0628 172.6663 97 Y 5.1693 8.9616 120.7749 56.6853 40.6158 174.7119 98 R 4.7450 8.9016 125.5370 54.0138 32.5245 175.1579 99 A 4.6485 8.7096 128.4754 52.3309 19.0889 176.9337 100 V 4.4070 8.9318 114.7089 58.7538 35.9568 174.8446 101 A 4.0532 8.5052 124.0763 54.2627 18.1929 178.3530 102 G 4.0390 9.8152 111.6279 45.2013 0.0000 172.9866 103 G 4.2356 7.3944 107.7767 45.8274 0.0000 172.0040 104 T 5.0449 8.4102 118.0317 61.7950 72.4749 172.8616 105 E 4.8072 9.5815 128.2356 55.3014 31.3379 174.5150 106 M 4.7021 8.8703 127.7991 54.1477 34.1309 175.2433 107 R 4.8656 8.7329 123.2621 54.3525 33.4695 173.7027 108 W 5.3799 9.1889 127.0469 54.9530 31.7978 174.9724 109 V 5.0610 9.2980 124.9087 61.2001 34.2096 174.1124 110 Q 5.2344 9.2149 125.8407 54.2079 32.3561 174.0908 111 E 5.3903 9.3066 123.3684 54.7013 32.9116 175.2305 112 F 5.0900 8.8650 118.1890 56.5506 42.3785 172.3172 113 D 4.5048 8.1650 116.9730 53.3149 44.5045 174.3259 114 M 4.6531 8.5219 125.4203 54.6592 33.5682 176.2373 115 K 4.3878 9.2972 122.2817 55.1562 33.6695 175.1658 116 P 4.3584 0.0000 0.0000 64.3705 31.6142 176.8970 117 G 3.8893 8.8774 109.3507 45.1041 0.0000 173.5303 118 A 4.1814 7.4471 122.3835 51.1547 19.0211 175.8134 119 P 4.4198 0.0000 0.0000 65.0581 31.6378 176.9056 120 F 4.7706 8.2577 115.3307 55.6068 41.0508 175.5789 121 D 4.7695 8.2003 125.0265 51.7384 42.5894 177.0258 122 N 4.2787 8.6268 115.9941 56.6759 38.3888 177.2148 123 A 4.0225 7.9735 121.0614 55.6370 18.5681 179.2758 124 H 4.2169 9.0332 115.0180 59.3425 28.7608 177.8365 125 M 4.3486 8.7089 120.3469 58.9464 32.0481 178.3320 126 T 4.1721 8.5262 115.9873 66.6890 68.6657 176.4477 127 A 4.0464 8.0452 122.2178 55.3151 18.4401 179.1387 128 H 4.1061 8.5368 116.7916 59.5659 29.9220 177.5631 129 L 4.0020 8.2744 122.4926 57.1448 41.3023 179.3173 130 N 4.3379 8.2555 116.5189 56.5387 38.5035 177.4783 131 T 3.8276 7.8798 117.2786 66.9334 68.5660 176.8120 132 T 3.8134 7.8517 111.5271 65.0054 68.7691 176.5832 133 T 4.0432 8.1895 118.9847 66.5053 68.5571 176.7500 134 R 3.7557 8.1281 119.7675 59.0346 30.0293 178.9926 135 A 3.8955 7.8835 120.4779 55.1729 18.3249 179.4209 136 N 4.0731 8.4893 115.2275 56.8465 38.6947 177.6434 137 M 3.4232 8.0476 120.2589 58.1319 31.8352 178.7857 138 E 3.8259 7.9739 118.8573 59.0880 29.5417 179.2948 139 R 3.7811 7.7766 118.8215 59.4209 30.0990 178.6122 140 I 3.4985 7.6420 119.8265 64.0129 36.9688 178.2219 141 K 3.7630 7.8831 120.4018 59.3817 32.0222 178.6395 142 K 3.8545 7.8815 119.7122 59.5393 32.1007 178.7759 143 I 3.6543 7.8718 120.0667 64.4885 37.0815 178.5000 144 I 3.7174 7.8649 120.6887 64.5696 36.7290 178.4677 145 E 4.0404 8.1449 118.2632 59.1884 29.3695 178.7407 146 D 4.4580 8.1375 118.5534 57.3619 41.1833 178.5620 147 R 4.0130 7.9499 115.1495 59.2954 29.5424 177.9357 148 H 4.4979 8.2187 118.2212 57.5541 29.9022 175.4177 149 R 4.0402 7.3143 120.5040 56.1653 29.9943 176.1789 150 E 4.3976 8.7216 121.9682 56.4246 30.6222 176.7309 151 G 3.9681 7.5012 108.1276 44.5234 0.0000 173.6502 152 Q 4.0975 8.5464 120.4764 56.4031 29.1036 176.7164 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 -2 G 8.35 3.91 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 -1 S 8.04 4.62 0.00 3.88 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 H 8.82 4.76 0.00 3.19 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.36 4.38 0.00 2.02 2.02 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 2.54 2.47 0.00 2 A 8.42 4.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.50 4.47 0.06 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 0.00 0.00 4 R 8.00 5.39 0.00 1.82 1.79 0.00 3.24 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 5 T 9.23 4.87 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 6 D 8.68 5.07 0.00 2.71 2.60 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 7 N 9.31 5.17 0.00 2.54 2.45 0.00 0.00 6.43 7.08 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 8 S 8.09 5.37 0.00 3.58 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 9 I 7.64 4.13 1.56 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 1.06 1.07 0.54 0.00 0.00 10 V 8.29 4.59 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 0.81 0.00 0.00 0.89 0.00 0.00 11 V 8.64 4.32 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 0.95 0.00 0.00 0.84 0.00 0.00 12 N 9.45 4.84 0.00 2.80 2.81 0.00 0.00 6.69 7.37 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 13 A 7.16 4.59 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 14 P 0.00 4.47 0.00 2.21 2.05 0.00 3.51 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 2.15 2.18 0.00 15 F 8.94 4.21 0.00 3.21 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 16 E 8.45 3.69 0.00 2.18 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 2.41 2.55 0.00 17 L 7.78 3.91 0.00 1.78 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.72 3.63 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 1.23 0.00 0.00 1.08 0.00 0.00 19 W 8.44 3.58 0.00 2.06 2.46 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 20 D 8.09 4.40 0.00 2.75 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 21 V 8.07 3.80 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 1.11 0.00 0.00 1.01 0.00 0.00 22 T 7.98 4.38 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 23 N 7.59 5.06 0.00 2.34 2.58 0.00 0.00 6.88 9.18 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 24 D 7.97 4.55 0.00 3.00 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 25 I 7.65 2.79 1.34 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 0.82 -0.36 0.32 0.00 0.00 26 E 8.16 3.90 0.00 1.86 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 0.00 2.28 2.46 0.00 27 A 8.20 4.47 1.51 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 0.00 0.00 28 W 8.35 4.74 0.00 3.52 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.38 0.00 2.13 2.38 0.00 3.98 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 30 E 8.04 4.45 0.00 2.01 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 0.00 2.27 2.49 0.00 31 L 8.46 4.24 0.00 1.94 1.58 1.13 0.73 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 32 F 8.66 4.61 0.00 3.32 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 33 S 8.65 4.24 0.00 3.98 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 34 E 8.20 3.96 0.00 1.88 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 1.55 2.17 0.00 35 Y 7.71 5.30 0.00 3.04 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 36 A 9.41 4.26 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 37 E 8.09 4.77 0.00 1.81 1.74 0.00 0.00 0.00 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 38 A 8.49 4.40 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 39 E 9.22 4.51 0.00 1.92 1.72 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 2.15 2.20 0.00 40 I 8.30 4.11 1.67 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.30 0.67 0.00 0.00 41 L 9.15 4.51 0.00 1.58 1.71 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.68 4.49 0.00 1.85 1.98 0.00 3.06 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 43 Q 8.48 4.81 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.30 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 44 D 8.49 4.69 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.36 4.59 0.00 2.81 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 47 G 7.63 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 48 F 8.30 5.50 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.30 5.66 0.00 2.64 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 50 F 9.24 5.31 0.00 3.07 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 51 R 9.03 4.63 0.00 1.72 1.65 0.00 3.11 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 52 L 7.72 4.74 0.00 0.27 0.23 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.35 5.07 0.00 1.72 1.55 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.56 7.81 54 T 9.08 5.04 4.53 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 1.64 0.00 0.00 55 R 8.64 4.51 0.00 1.80 1.96 0.00 3.37 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 56 P 0.00 4.53 0.00 2.22 2.11 0.00 3.82 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 2.01 0.00 57 D 8.74 4.79 0.00 3.17 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 58 A 8.75 4.01 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 59 N 8.44 4.56 0.00 2.95 2.93 0.00 0.00 7.14 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 60 G 8.66 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 61 R 8.48 4.06 0.00 1.71 1.79 0.00 2.45 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 62 V 7.74 4.82 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 1.02 0.00 0.00 0.96 0.00 0.00 63 W 9.49 5.03 0.00 3.66 3.39 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 64 E 9.05 5.26 0.00 1.97 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 0.00 2.18 2.38 0.00 65 W 8.46 5.31 0.00 3.40 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 66 V 8.85 4.76 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 0.96 0.00 0.00 0.88 0.00 0.00 67 S 8.59 4.95 0.00 4.02 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 68 H 8.75 5.17 0.00 3.15 2.90 0.00 5.73 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.35 4.54 0.00 1.44 0.66 0.00 2.75 0.00 0.00 2.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.09 0.00 70 V 8.88 4.60 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 1.04 0.00 0.00 0.84 0.00 0.00 71 P 0.00 4.81 0.00 2.48 2.03 0.00 3.72 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 72 D 9.81 4.73 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 73 K 8.66 2.48 0.00 1.40 1.51 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.08 0.21 7.81 74 G 7.99 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 75 S 7.96 4.47 0.00 4.01 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 76 R 7.91 3.77 0.00 1.97 2.06 0.00 2.73 0.00 0.00 2.60 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 77 T 7.78 5.47 4.50 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 1.45 0.00 0.00 78 V 9.21 5.12 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 0.63 0.00 0.00 1.15 0.00 0.00 79 R 8.61 5.27 0.00 1.79 1.74 0.00 3.22 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 80 A 8.78 5.34 1.07 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 0.00 0.00 81 H 8.11 5.25 0.00 3.34 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.80 4.59 0.00 1.68 1.87 0.00 2.92 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 0.00 83 V 8.29 4.35 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 0.71 0.00 0.00 0.98 0.00 0.00 84 E 8.05 4.39 0.00 2.06 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 2.33 2.40 0.00 85 T 8.24 4.44 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 1.25 0.00 0.00 86 G 7.97 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 0.00 0.00 0.00 0.00 87 P 0.00 4.38 0.00 1.91 2.29 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 88 F 7.61 4.65 0.00 3.12 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 89 A 9.34 4.39 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 90 Y 7.65 4.88 0.00 3.05 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 91 M 8.42 5.33 0.00 1.63 1.26 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.75 0.00 92 N 9.65 5.59 0.00 2.95 2.91 0.00 0.00 5.93 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 93 L 9.25 5.38 0.00 1.70 1.46 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 H 9.52 5.40 0.00 3.28 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 W 9.70 5.71 0.00 3.35 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 96 T 9.07 5.47 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 1.26 0.00 0.00 97 Y 8.96 5.17 0.00 3.22 3.42 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 98 R 8.90 4.75 0.00 1.95 1.82 0.00 3.12 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 99 A 8.71 4.65 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 0.00 100 V 8.93 4.41 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 0.80 0.00 0.00 0.98 0.00 0.00 101 A 8.51 4.05 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 0.00 102 G 9.82 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 0.00 103 G 7.39 4.24 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 0.00 0.00 0.00 104 T 8.41 5.04 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 1.58 0.00 0.00 105 E 9.58 4.81 0.00 1.99 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 0.00 2.20 2.21 0.00 106 M 8.87 4.70 0.00 1.52 1.48 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 107 R 8.73 4.87 0.00 1.83 1.76 0.00 3.05 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 108 W 9.19 5.38 0.00 3.01 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 0.00 109 V 9.30 5.06 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 1.22 0.00 0.00 1.05 0.00 0.00 110 Q 9.21 5.23 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 111 E 9.31 5.39 0.00 2.27 2.01 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 2.34 2.35 0.00 112 F 8.86 5.09 0.00 3.30 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 0.00 113 D 8.17 4.50 0.00 2.19 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 0.00 0.00 0.00 114 M 8.52 4.65 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 115 K 9.30 4.39 0.00 1.72 1.72 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.51 7.81 116 P 0.00 4.36 0.00 2.16 2.04 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 117 G 8.88 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 0.00 0.00 0.00 0.00 118 A 7.45 4.18 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 0.00 119 P 0.00 4.42 0.00 2.30 2.30 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 120 F 8.26 4.77 0.00 2.87 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 0.00 121 D 8.20 4.77 0.00 2.87 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 0.00 122 N 8.63 4.28 0.00 2.71 2.84 0.00 0.00 6.70 7.12 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 0.00 123 A 7.97 4.02 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 0.00 124 H 9.03 4.22 0.00 3.11 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.71 4.35 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 126 T 8.53 4.17 4.57 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 1.36 0.00 0.00 127 A 8.05 4.05 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 0.00 128 H 8.54 4.11 0.00 3.64 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.27 4.00 0.00 1.68 1.79 0.28 0.12 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 0.00 130 N 8.26 4.34 0.00 3.01 2.87 0.00 0.00 6.99 7.08 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 0.00 131 T 7.88 3.83 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 1.18 0.00 0.00 132 T 7.85 3.81 4.14 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 0.99 0.00 0.00 133 T 8.19 4.04 4.44 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 1.23 0.00 0.00 134 R 8.13 3.76 0.00 1.83 1.88 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 135 A 7.88 3.90 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 0.00 136 N 8.49 4.07 0.00 2.93 2.79 0.00 0.00 7.09 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 0.00 137 M 8.05 3.42 0.00 1.35 1.63 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.81 0.00 138 E 7.97 3.83 0.00 2.04 1.88 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 2.19 2.39 0.00 139 R 7.78 3.78 0.00 1.79 1.90 0.00 3.06 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 1.53 1.61 0.00 140 I 7.64 3.50 1.73 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.01 0.78 0.00 0.00 141 K 7.88 3.76 0.00 1.74 1.86 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.46 7.81 142 K 7.88 3.85 0.00 1.86 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.59 7.81 143 I 7.87 3.65 1.82 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 1.50 0.63 0.91 0.00 0.00 144 I 7.86 3.72 1.91 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 1.53 0.90 0.91 0.00 0.00 145 E 8.14 4.04 0.00 1.97 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 2.36 2.44 0.00 146 D 8.14 4.46 0.00 2.89 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 0.00 147 R 7.95 4.01 0.00 2.03 2.07 0.00 3.15 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 148 H 8.22 4.50 0.00 3.31 3.55 0.00 5.77 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.31 4.04 0.00 1.91 1.85 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 150 E 8.72 4.40 0.00 1.93 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 2.25 2.43 0.00 151 G 7.50 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.55 4.10 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00