NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2882 8.2931 120.3266 55.8216 33.4425 171.4479 2 G 3.8357 10.2252 113.6225 44.0013 0.0000 171.8136 3 S 4.6161 8.1199 118.6995 57.3083 66.6757 172.5396 4 S 4.4375 8.2419 116.9613 57.7814 65.1986 173.4677 5 H 4.5741 7.8916 118.2130 55.6802 30.5409 172.1854 6 H 4.9051 8.7702 116.0209 54.0993 31.2093 173.0649 7 H 4.7996 8.7087 122.3506 54.6177 32.0138 172.8685 8 H 4.8074 8.3050 123.4956 55.2206 29.9541 174.7731 9 H 4.6893 8.4926 121.1150 54.1250 29.7410 170.8998 10 H 4.9389 8.3436 122.8220 53.8806 31.9331 173.3537 11 S 4.6099 8.0350 120.9093 57.1700 66.8340 172.6776 12 S 4.3779 8.2208 114.2330 57.0320 64.8314 173.7945 13 G 3.8634 8.6846 117.0980 44.8463 0.0000 172.8258 14 R 4.6239 8.1932 124.6235 53.6159 33.0327 175.6599 15 E 4.2168 8.5866 122.7607 55.9505 30.5148 175.6265 16 N 4.7031 8.3847 122.3117 52.7669 41.7043 173.3024 17 L 4.4691 8.3949 126.0450 52.8342 43.7190 175.2487 18 Y 4.6002 7.2817 120.4899 55.2613 40.3568 175.1233 19 F 4.4039 8.8518 121.4123 59.5112 40.0444 175.4043 20 Q 3.4162 8.1936 124.8094 56.5445 26.4947 173.2344 21 G 4.0496 8.0033 113.2890 44.4072 0.0000 170.1250 22 H 4.6868 8.0322 116.9464 54.3925 30.4495 172.9375 23 M 4.4769 8.6054 122.6539 55.0113 32.3436 175.4559 24 L 4.7554 8.6336 121.0699 52.9243 44.6918 175.3458 25 E 4.6034 8.7970 124.5357 56.1999 30.0752 175.9382 26 V 5.2413 8.7594 119.9515 58.4931 36.5666 174.6303 27 E 4.7311 8.6184 123.3962 54.8743 30.9661 175.2091 28 V 4.3179 8.9426 129.6317 62.5066 32.4170 175.4811 29 I 4.4738 8.6924 129.7720 60.6612 39.5198 175.6904 30 S 5.1287 7.7225 118.8556 55.8468 64.8378 172.8674 31 G 4.0765 7.5855 111.7037 44.7723 0.0000 171.1979 32 R 4.3285 8.0366 125.8380 56.5811 27.7098 175.9372 33 T 4.0793 8.1868 113.2424 63.0816 69.9789 176.2473 34 L 4.1417 7.5422 128.3251 52.9320 41.2832 175.6085 35 N 4.4917 8.4190 124.2002 53.3637 39.4017 175.8723 36 Q 4.4938 8.1616 122.2920 54.4465 31.0313 174.6444 37 G 3.9409 8.7682 105.0519 46.4555 0.0000 172.9895 38 A 4.7672 7.5979 120.9632 49.7629 22.6704 175.5800 39 T 4.4057 8.0407 109.4859 61.0545 71.6129 176.2839 40 V 2.9452 8.0034 114.6667 63.9695 31.4434 178.5760 41 E 3.9693 7.9449 119.0696 59.2080 29.4253 178.1860 42 E 4.0350 8.2762 118.3108 58.1449 29.8354 177.1927 43 K 4.6784 7.9580 117.8931 55.9306 32.7755 177.7459 44 L 4.2597 7.3694 121.3713 54.7864 39.3634 175.1183 45 T 4.7239 7.7094 117.6640 59.0115 71.0760 174.2160 46 E 4.2216 8.8159 122.5054 59.1177 29.1683 179.2453 47 E 3.9877 8.3625 118.6414 59.8770 29.3780 178.6838 48 Y 3.9909 7.7858 117.0448 59.7500 38.9494 176.4692 49 F 5.2611 8.0345 120.6630 57.8238 39.8129 175.3183 50 N 4.7026 7.8954 112.7778 54.5496 40.9258 175.5830 51 A 4.1873 8.2685 121.2075 54.8330 18.6621 178.7405 52 V 4.0345 7.5079 106.1460 61.5708 31.9456 176.3783 53 N 3.9604 7.9073 115.7086 52.7345 39.5865 173.5606 54 Y 5.4777 7.4483 115.8340 55.2425 41.9826 174.1743 55 A 4.8797 9.0561 121.2113 50.2138 22.5024 175.0359 56 E 5.0213 9.6575 123.1525 55.8417 30.9089 175.6642 57 I 4.9947 9.0328 126.1726 59.0701 40.4291 175.3592 58 N 4.8512 8.8047 123.8914 53.3658 40.0136 175.1431 59 E 3.9512 9.0399 124.5763 59.6397 29.6270 179.0240 60 E 4.0257 8.5934 118.3212 59.8702 29.5652 179.3204 61 D 4.4186 8.1734 118.1905 56.8142 40.9123 178.2500 62 W 4.1505 8.6878 129.4885 60.9053 30.6831 177.8808 63 N 4.4557 8.6184 115.9516 56.1878 37.7715 177.3109 64 A 4.0803 8.0418 121.4968 54.8274 18.5408 178.9181 65 L 4.1714 8.0950 115.6327 54.0924 43.0239 176.4658 66 G 3.6448 7.5805 106.4237 46.1173 0.0000 173.9050 67 L 3.9536 7.3134 117.3751 53.0734 43.2324 176.8124 68 Q 4.6984 8.6194 123.9857 53.8739 30.8565 174.5102 69 E 4.6321 9.0641 123.7415 60.7417 28.5555 175.3654 70 G 3.4513 7.7453 118.0325 45.3650 0.0000 172.0516 71 D 4.8877 8.4727 122.4208 53.9116 42.5005 175.1289 72 R 5.1145 8.3224 114.2522 54.8038 33.0724 174.7569 73 V 4.7726 8.6648 113.5845 59.4513 36.1298 174.3815 74 K 4.6842 8.8906 125.2011 55.3877 33.7299 175.2612 75 V 4.9222 8.8496 128.2934 61.1741 33.8382 174.4773 76 K 5.2151 9.2282 127.1198 55.1399 36.0759 175.6527 77 T 4.7604 8.7264 114.6395 60.1920 71.5483 173.3380 78 E 4.0458 8.9524 117.7967 58.9489 30.1832 178.2352 79 F 4.3077 8.2020 118.5565 59.1356 39.9382 175.3115 80 G 4.1167 7.8411 109.1232 46.1060 0.0000 171.4115 81 E 5.3836 8.6795 119.3997 55.4077 32.9241 175.3887 82 V 4.4577 8.7048 118.9761 60.7749 35.5827 172.6818 83 V 4.7382 8.3998 123.0194 61.7663 33.0421 174.8690 84 V 4.7805 8.2689 120.3847 58.9171 36.3436 175.0110 85 F 4.5776 8.8618 121.1676 57.6247 39.8371 174.8082 86 A 4.7972 9.1782 126.4488 51.6426 19.5256 176.5260 87 K 4.9987 9.4397 121.4812 54.6713 36.9421 175.3493 88 K 4.6487 8.2989 123.2138 55.4315 33.3357 175.6327 89 G 4.2360 8.7968 113.0869 44.4680 0.0000 171.4659 90 D 4.8913 8.4546 117.4295 54.2942 40.8523 177.7152 91 V 3.9191 7.5282 112.5955 60.1479 32.2366 174.4049 92 P 4.4609 0.0000 0.0000 62.1946 31.8277 176.1705 93 K 4.1822 8.4216 120.4679 57.6726 32.8432 176.3209 94 G 3.9822 9.9596 111.8323 46.1947 0.0000 172.6998 95 M 5.3406 7.8475 116.9016 54.0512 35.3733 173.5784 96 I 5.0219 8.8773 118.7122 59.2069 41.8075 173.5542 97 F 5.0266 9.0326 126.9351 56.7835 41.3123 174.3433 98 I 4.5082 7.4051 126.1932 58.2981 40.5338 173.2657 99 P 4.2919 0.0000 0.0000 62.5299 31.8687 175.1516 100 M 3.8150 8.5396 125.3464 56.8715 32.8264 175.1906 101 G 4.2383 8.1816 114.9663 43.2120 0.0000 170.3088 102 P 4.3301 0.0000 0.0000 66.2073 31.2049 177.6630 103 Y 4.0556 8.3288 115.5746 60.8969 37.8645 178.2893 104 A 3.9642 8.0815 121.0740 55.2059 18.3175 178.7742 105 N 4.1691 8.4946 114.8608 57.2371 38.9474 176.6077 106 M 4.2259 7.9306 119.5469 57.3942 31.7995 177.9847 107 V 4.3387 7.5706 109.0519 60.6577 33.9840 175.1175 108 I 3.9111 7.6332 113.5482 58.9699 39.5456 173.9544 109 D 3.9691 7.6735 120.0108 52.0902 41.1419 173.9376 110 P 4.4928 0.0000 0.0000 63.2653 31.7615 176.6453 111 S 4.2831 7.8809 113.9277 60.4136 62.1876 173.8212 112 T 4.1126 7.9276 114.7659 61.5902 67.3755 173.9111 113 D 4.4870 8.7711 120.9043 55.5438 40.8085 177.7016 114 G 4.6705 7.4697 106.1464 46.3187 0.0000 172.9907 115 T 4.5819 8.1720 114.2969 60.0194 70.4777 174.1536 116 G 4.3609 7.9620 119.8247 45.5742 0.0000 171.5565 117 M 4.3817 8.0595 121.6699 53.6451 32.8147 175.6221 118 P 4.5849 0.0000 0.0000 63.2301 29.7925 174.8985 119 Q 4.4665 8.2111 121.7160 57.0394 31.5639 175.3669 120 F 4.5438 7.5888 109.7929 57.2285 39.6443 170.0221 121 K 3.7753 9.9180 128.6067 56.8190 29.5228 175.6414 122 G 4.1007 8.9273 113.7537 44.0784 0.0000 170.0848 123 V 4.0648 8.6323 119.9365 61.7246 32.3321 175.9690 124 K 4.2783 9.0250 127.6403 57.0040 32.6881 177.5344 125 G 4.2699 8.6114 109.0375 47.0186 0.0000 172.0561 126 T 5.4896 8.6159 112.0679 60.2700 73.0455 173.7390 127 V 5.1680 8.8986 121.3893 60.4185 35.1960 173.8505 128 E 4.8941 8.8765 119.4255 54.6661 33.4656 173.9854 129 K 4.2735 8.4448 122.9898 56.7656 32.6245 175.8643 130 T 4.7018 7.8624 121.2847 60.3218 70.2273 173.3210 131 D 4.4420 8.8070 124.3260 55.5035 41.7616 176.2841 132 E 4.1640 7.7615 118.3396 56.4869 30.0443 176.3552 133 K 4.2768 8.1504 119.2267 55.7708 33.8555 176.9232 134 V 3.6753 8.0202 121.6190 62.9765 31.9939 175.1361 135 L 4.2794 8.3169 127.6808 55.1239 41.9535 177.3859 136 S 4.6685 9.0679 120.7452 58.8373 63.3792 175.7250 137 V 3.5420 9.3404 123.0648 66.5234 31.0599 178.5418 138 K 3.9219 7.9729 118.4319 59.3656 32.0836 178.1509 139 E 4.1295 8.1152 120.5346 58.5243 29.5180 178.3426 140 L 3.8191 8.2965 120.8263 58.0562 42.1147 178.9527 141 L 3.9332 7.3975 118.1776 58.0004 41.3124 179.4809 142 E 3.8489 8.4551 118.3769 59.1365 29.0908 179.3289 143 A 4.0845 7.9612 120.8954 54.8776 18.6004 179.1765 144 I 3.9338 7.5268 109.4148 62.1022 37.9663 175.5159 145 G 3.3936 6.8689 110.3067 45.5323 0.0000 173.8843 146 S 4.2705 7.8510 120.1583 58.4200 62.3215 173.4313 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 4.29 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 G 10.23 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 3 S 8.12 4.62 0.00 3.97 3.82 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 4 S 8.24 4.44 0.00 3.92 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 5 H 7.89 4.57 0.00 3.22 3.29 0.00 5.46 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 6 H 8.77 4.91 0.00 3.12 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.71 4.80 0.00 3.07 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.30 4.81 0.00 3.13 3.16 0.00 5.71 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 9 H 8.49 4.69 0.00 3.07 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.34 4.94 0.00 3.06 3.15 0.00 5.92 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 11 S 8.04 4.61 0.00 3.78 3.68 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 12 S 8.22 4.38 0.00 3.71 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 13 G 8.68 3.86 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 0.00 0.00 0.00 14 R 8.19 4.62 0.00 1.76 1.81 0.00 3.37 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 15 E 8.59 4.22 0.00 1.90 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 2.27 2.33 0.00 16 N 8.38 4.70 0.00 2.69 2.67 0.00 0.00 6.96 7.80 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 17 L 8.39 4.47 0.00 1.36 1.09 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.28 4.60 0.00 2.98 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 19 F 8.85 4.40 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.19 3.42 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 21 G 8.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.03 4.69 0.00 3.23 3.28 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.61 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 24 L 8.63 4.76 0.00 1.62 1.62 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.80 4.60 0.00 2.00 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 2.31 2.47 0.00 26 V 8.76 5.24 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 0.83 0.00 0.00 0.94 0.00 0.00 27 E 8.62 4.73 0.00 2.09 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 2.36 2.34 0.00 28 V 8.94 4.32 2.18 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 0.84 0.00 0.00 0.95 0.00 0.00 29 I 8.69 4.47 1.91 0.00 0.00 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 1.32 0.89 1.05 0.00 0.00 30 S 7.72 5.13 0.00 3.56 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 31 G 7.59 4.08 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 0.00 0.00 0.00 32 R 8.04 4.33 0.00 1.88 1.88 0.00 3.24 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 33 T 8.19 4.08 4.29 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 1.42 0.00 0.00 34 L 7.54 4.14 0.00 1.46 1.43 0.46 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.42 4.49 0.00 2.74 2.73 0.00 0.00 7.13 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 36 Q 8.16 4.49 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 37 G 8.77 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 0.00 0.00 0.00 38 A 7.60 4.77 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 39 T 8.04 4.41 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 1.21 0.00 0.00 40 V 8.00 2.95 1.58 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 0.30 0.00 0.00 0.77 0.00 0.00 41 E 7.94 3.97 0.00 1.98 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 2.36 2.33 0.00 42 E 8.28 4.04 0.00 1.99 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 2.35 2.43 0.00 43 K 7.96 4.68 0.00 2.09 2.15 0.00 2.15 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.51 1.49 7.81 44 L 7.37 4.26 0.00 1.78 1.62 0.91 0.93 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 45 T 7.71 4.72 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 1.39 0.00 0.00 46 E 8.82 4.22 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 47 E 8.36 3.99 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 48 Y 7.79 3.99 0.00 3.24 3.06 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 49 F 8.03 5.26 0.00 3.15 3.28 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 50 N 7.90 4.70 0.00 2.79 2.75 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.27 4.19 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 52 V 7.51 4.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.20 0.00 0.00 53 N 7.91 3.96 0.00 2.50 2.60 0.00 0.00 6.18 7.77 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 54 Y 7.45 5.48 0.00 3.11 2.88 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 55 A 9.06 4.88 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 56 E 9.66 5.02 0.00 2.14 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 0.00 2.61 2.74 0.00 57 I 9.03 4.99 2.40 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 1.26 1.32 1.11 0.00 0.00 58 N 8.80 4.85 0.00 3.03 2.97 0.00 0.00 7.20 7.67 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 59 E 9.04 3.95 0.00 2.08 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 2.37 2.51 0.00 60 E 8.59 4.03 0.00 2.16 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 0.00 2.48 2.54 0.00 61 D 8.17 4.42 0.00 2.79 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 62 W 8.69 4.15 0.00 3.61 3.26 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 63 N 8.62 4.46 0.00 2.88 2.92 0.00 0.00 7.27 7.25 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 64 A 8.04 4.08 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 65 L 8.09 4.17 0.00 1.44 1.56 0.87 0.84 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 66 G 7.58 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 67 L 7.31 3.95 0.00 0.27 0.13 0.41 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.62 4.70 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 69 E 9.06 4.63 0.00 2.11 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 2.25 2.56 0.00 70 G 7.75 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 0.00 0.00 0.00 71 D 8.47 4.89 0.00 2.55 2.52 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 72 R 8.32 5.11 0.00 1.74 1.80 0.00 3.04 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 73 V 8.66 4.77 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 0.68 0.00 0.00 0.98 0.00 0.00 74 K 8.89 4.68 0.00 1.83 1.65 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.41 7.81 75 V 8.85 4.92 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 1.05 0.00 0.00 0.94 0.00 0.00 76 K 9.23 5.22 0.00 1.69 1.64 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 77 T 8.73 4.76 4.41 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 1.37 0.00 0.00 78 E 8.95 4.05 0.00 1.87 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 1.47 1.80 0.00 79 F 8.20 4.31 0.00 3.23 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 80 G 7.84 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.68 5.38 0.00 1.93 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 2.18 2.30 0.00 82 V 8.70 4.46 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 0.86 0.00 0.00 1.01 0.00 0.00 83 V 8.40 4.74 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 84 V 8.27 4.78 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 0.82 0.00 0.00 0.94 0.00 0.00 85 F 8.86 4.58 0.00 3.10 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 86 A 9.18 4.80 1.25 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 0.00 0.00 87 K 9.44 5.00 0.00 1.90 1.67 0.00 0.95 0.00 0.00 1.20 0.00 0.00 2.50 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.34 1.45 7.81 88 K 8.30 4.65 0.00 0.79 1.23 0.00 1.33 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.06 7.81 89 G 8.80 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 90 D 8.45 4.89 0.00 2.62 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 91 V 7.53 3.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.09 0.00 0.00 92 P 0.00 4.46 0.00 2.20 2.07 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 93 K 8.42 4.18 0.00 1.77 1.78 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.69 7.81 94 G 9.96 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 95 M 7.85 5.34 0.00 2.24 1.95 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 2.71 2.63 0.00 96 I 8.88 5.02 2.01 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 1.16 1.14 1.00 0.00 0.00 97 F 9.03 5.03 0.00 3.21 2.97 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 98 I 7.41 4.51 1.74 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 1.21 0.52 0.75 0.00 0.00 99 P 0.00 4.29 0.00 1.71 1.89 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 100 M 8.54 3.82 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 101 G 8.18 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 0.00 102 P 0.00 4.33 0.00 2.08 2.18 0.00 4.18 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 103 Y 8.33 4.06 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.08 3.96 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 0.00 105 N 8.49 4.17 0.00 2.67 3.02 0.00 0.00 7.25 7.64 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 0.00 106 M 7.93 4.23 0.00 2.25 2.23 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 2.54 2.92 0.00 107 V 7.57 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 108 I 7.63 3.91 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.37 0.85 0.00 0.00 109 D 7.67 3.97 0.00 2.14 2.40 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 0.00 110 P 0.00 4.49 0.00 2.15 2.07 0.00 3.45 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 111 S 7.88 4.28 0.00 3.85 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 0.00 112 T 7.93 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 D 8.77 4.49 0.00 2.80 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 0.00 114 G 7.47 4.67 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 0.00 0.00 0.00 115 T 8.17 4.58 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 1.19 0.00 0.00 116 G 7.96 4.36 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 0.00 117 M 8.06 4.38 0.00 2.00 1.98 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 2.58 2.45 0.00 118 P 0.00 4.58 0.00 1.76 2.04 0.00 3.69 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 1.89 1.95 0.00 119 Q 8.21 4.47 0.00 2.11 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 120 F 7.59 4.54 0.00 3.15 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 0.00 121 K 9.92 3.78 0.00 1.40 1.62 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.25 7.81 122 G 8.93 4.10 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 0.00 123 V 8.63 4.06 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 1.00 0.00 0.00 0.86 0.00 0.00 124 K 9.02 4.28 0.00 1.73 1.77 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 125 G 8.61 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 0.00 0.00 0.00 0.00 126 T 8.62 5.49 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 1.23 0.00 0.00 127 V 8.90 5.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 128 E 8.88 4.89 0.00 1.99 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 2.30 2.23 0.00 129 K 8.44 4.27 0.00 1.57 1.60 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.15 1.27 7.81 130 T 7.86 4.70 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 1.15 0.00 0.00 131 D 8.81 4.44 0.00 2.68 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 0.00 132 E 7.76 4.16 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 133 K 8.15 4.28 0.00 1.88 1.81 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 134 V 8.02 3.68 1.61 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 0.52 0.00 0.00 -0.28 0.00 0.00 135 L 8.32 4.28 0.00 1.56 1.53 0.85 0.99 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 0.00 136 S 9.07 4.67 0.00 3.84 3.86 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 0.00 137 V 9.34 3.54 2.18 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 0.95 0.00 0.00 1.47 0.00 0.00 138 K 7.97 3.92 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.45 7.81 139 E 8.12 4.13 0.00 2.07 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 0.00 2.36 2.22 0.00 140 L 8.30 3.82 0.00 1.59 1.58 0.10 0.44 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 0.00 141 L 7.40 3.93 0.00 1.83 1.65 0.85 0.82 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 0.00 142 E 8.46 3.85 0.00 2.12 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 2.30 2.54 0.00 143 A 7.96 4.08 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 0.00 144 I 7.53 3.93 1.85 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 1.41 0.70 0.93 0.00 0.00 145 G 6.87 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 0.00 0.00 0.00 146 S 7.85 4.27 0.00 3.83 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