NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4112 8.2893 120.3486 55.3673 33.0899 174.7467 2 N 4.6599 8.5809 124.0233 51.4835 38.9270 172.9916 3 I 4.5989 8.7799 120.9802 59.6070 41.9671 176.3071 4 I 4.3589 8.3286 123.8920 59.6364 38.4158 175.1606 5 K 4.4445 8.5951 124.8663 54.3902 34.0234 176.2854 6 A 4.5426 8.3924 126.4878 50.8656 20.6328 175.0820 7 N 5.0396 8.1822 116.8585 51.9480 41.4208 175.6791 8 V 3.8845 8.1695 114.1620 62.6695 32.2833 176.8501 9 A 4.1373 8.0486 123.6995 52.1103 18.5456 178.0078 10 A 4.6058 8.3372 123.8107 51.2298 21.1531 173.9971 11 P 4.7936 0.0000 0.0000 64.9388 32.1788 178.6412 12 D 4.7414 8.0648 116.0417 54.2507 40.5931 175.8195 13 A 4.5920 7.5844 125.1018 51.9568 20.0849 178.3228 14 R 4.8268 9.5387 120.9384 55.1209 32.5147 175.8132 15 V 4.9314 8.8437 124.4249 60.0039 34.7182 173.9508 16 A 4.8282 8.4820 128.6925 50.1174 21.4205 175.2349 17 I 4.7508 8.6566 123.9788 59.6294 39.5642 174.7117 18 T 4.7698 8.6405 117.7706 59.9664 70.8381 173.3804 19 I 5.2202 8.3000 126.3988 58.1995 40.4896 174.5846 20 A 4.9556 8.4582 128.0824 51.5175 18.9896 177.9528 21 R 4.4612 9.2932 119.2402 58.3775 30.2926 176.8965 22 F 4.6339 8.2448 121.5722 59.9718 39.6279 174.3536 23 N 4.7239 9.8323 124.1460 54.3309 35.5558 176.1121 24 Q 4.1593 8.3571 120.2524 59.3809 28.0464 177.9985 25 F 4.0090 8.5083 121.6123 61.1644 39.4038 176.4000 26 I 4.1951 8.2943 118.7692 63.7742 37.6742 177.7255 27 N 4.3523 8.3024 116.6577 56.3685 38.2633 176.9263 28 D 4.4403 8.6872 120.6582 57.6298 41.0170 178.7985 29 S 4.0665 7.9609 112.9665 61.0868 62.3828 175.4419 30 L 4.0586 7.8104 123.2083 58.7819 41.6553 178.2076 31 L 3.8702 8.6039 120.5880 57.4864 41.8947 178.7135 32 D 4.4949 8.5280 118.4354 57.2813 40.9790 179.7373 33 G 3.6005 8.1512 105.8568 47.8004 0.0000 175.2317 34 A 3.9323 7.9109 123.4096 54.7389 18.3918 179.2543 35 V 3.4337 7.8919 116.5762 66.3673 31.5151 177.3355 36 D 4.3044 8.2220 117.0647 57.6953 41.0253 177.8337 37 A 3.9054 8.2727 121.0474 55.7237 18.4041 179.0544 38 L 3.8890 8.5270 116.7266 59.1853 41.9007 179.7832 39 T 4.2026 8.2749 111.0729 63.9414 68.5581 176.1927 40 R 3.8568 8.1164 123.4469 58.3738 30.3744 178.5249 41 I 4.1855 7.7312 117.9880 63.6360 37.9862 177.7706 42 G 3.8591 7.8331 103.6508 44.1954 0.0000 174.1133 43 Q 3.7377 7.9874 118.6868 56.3994 26.7359 173.2847 44 V 3.9126 7.4851 118.8198 62.4347 32.2210 175.2479 45 K 4.3479 8.5732 128.8405 56.2093 32.5692 176.6556 46 D 4.7065 8.8116 124.2375 54.0244 39.0632 176.1978 47 D 4.8053 7.9821 117.1154 53.7604 40.2283 176.2993 48 N 4.7016 8.5756 117.7641 53.6970 39.3468 174.0949 49 I 4.9717 7.5956 120.2003 60.1974 38.4416 175.1569 50 T 4.7090 8.8754 117.5616 59.6971 71.8464 173.0919 51 V 4.6158 8.3986 123.6093 61.0944 34.1331 174.5674 52 V 4.3049 8.9450 128.9583 60.7730 33.5882 174.5471 53 W 4.8925 8.9962 129.1231 56.6738 29.5714 176.5445 54 V 4.3357 8.7313 119.1691 59.0661 33.6625 174.5885 55 P 4.3295 0.0000 0.0000 64.9967 31.2561 176.8853 56 G 4.5220 7.9590 108.3062 42.8009 0.0000 174.1246 57 A 4.0852 8.4942 120.8507 54.8846 18.0866 179.3069 58 Y 4.2068 8.1707 117.0141 60.5751 39.1885 177.3545 59 E 4.1493 8.2121 118.6660 57.8122 29.6790 178.3887 60 L 3.8967 7.6199 119.9009 58.1984 41.6144 177.0479 61 P 4.1798 0.0000 0.0000 64.7293 31.1533 177.9800 62 L 3.8753 7.6972 117.9699 58.4677 42.3317 179.2813 63 A 3.9869 7.7788 119.9937 55.6419 18.3762 179.8461 64 T 3.8497 8.1478 108.2414 64.4401 68.7198 176.2290 65 E 3.8474 8.9723 122.9637 59.1983 29.6628 178.2614 66 A 4.0105 7.9876 120.5784 55.6153 18.1929 179.5895 67 L 4.1023 7.5856 114.8352 57.9044 41.9593 179.5038 68 A 4.2232 8.2403 120.6941 55.1659 18.2382 179.8204 69 K 3.9364 8.1724 116.1129 59.6207 32.1332 178.9449 70 S 4.1968 8.0793 112.9245 59.5138 62.0427 176.0002 71 G 3.9688 8.5254 110.4936 46.3724 0.0000 176.1283 72 K 3.5558 7.7222 120.4267 56.3614 31.8308 182.1760 73 Y 5.1196 6.9879 113.3320 56.8631 40.5996 175.4476 74 D 4.7365 9.1347 122.1046 56.0036 41.9040 176.4908 75 A 4.5462 7.3947 117.2159 51.1886 22.5106 175.0806 76 V 4.7530 8.2240 120.0775 61.0362 34.5396 174.4940 77 V 4.3870 8.6722 128.1487 61.5053 33.3970 174.1670 78 A 4.9330 8.5935 130.1602 49.7015 20.8358 175.1606 79 L 5.2666 7.9614 123.1799 52.8297 44.2570 176.3804 80 G 4.2087 7.7646 108.2093 46.1412 0.0000 171.9263 81 T 5.1087 8.1365 116.4256 61.5131 71.9094 174.5433 82 V 4.2151 9.0785 124.9960 61.3590 34.0943 173.7790 83 I 4.6871 8.1697 128.5869 59.5485 38.6429 175.9670 84 R 3.6643 8.4613 127.9659 56.5800 30.2689 176.3409 85 G 4.4052 8.3623 116.2677 44.3203 0.0000 172.9651 86 G 3.6510 8.7654 107.6603 47.3890 0.0000 173.3286 87 T 4.5320 7.5888 108.3717 59.6840 71.6264 173.5113 88 A 4.4557 8.3701 121.3303 52.7677 18.7400 178.6967 89 H 4.2863 8.3656 120.0038 60.2780 29.7584 176.8957 90 F 4.0120 8.4831 121.9734 61.5734 38.9869 176.6223 91 E 3.5905 7.9366 118.1288 59.4825 29.3938 178.2947 92 Y 4.3575 7.4140 115.6983 60.5564 38.3068 177.4542 93 V 3.6785 7.6907 119.4550 65.8784 31.6070 177.8113 94 A 4.0932 7.8336 120.2227 55.0917 18.0827 179.6965 95 G 3.6151 8.0770 104.7735 47.7756 0.0000 176.1269 96 G 3.8499 8.5699 108.3237 45.8985 0.0000 174.8202 97 A 4.2645 7.8081 122.4620 54.3685 19.6535 179.1572 98 S 4.2062 8.2062 111.7140 61.8688 62.3773 176.2331 99 N 4.4525 8.5376 119.4371 55.8860 38.3351 177.4469 100 G 3.7070 7.7485 106.9293 48.0137 0.0000 175.5048 101 L 3.9930 8.0032 121.7183 57.2716 41.7965 179.6035 102 A 3.9913 7.9802 120.5996 55.0667 18.2795 179.5536 103 S 3.9526 8.3195 111.7604 61.5213 62.4506 176.1412 104 V 3.5408 7.7522 120.7083 66.3018 31.1915 177.6591 105 A 4.4342 7.8249 121.1550 54.8135 17.9862 179.4275 106 Q 3.9367 7.6356 116.2143 59.1301 29.1395 177.8276 107 D 4.5314 7.9927 119.3772 57.0382 41.3078 178.5585 108 S 4.3363 8.3430 112.8294 58.7475 63.4087 175.5000 109 G 3.8807 7.9782 109.3549 45.7969 0.0000 173.7216 110 V 3.9537 7.5617 121.1369 61.6069 32.9984 173.6388 111 P 4.6202 0.0000 0.0000 62.7136 32.4911 175.1534 112 V 4.9160 8.3911 123.4137 61.0182 34.0958 174.2448 113 A 4.4376 8.9264 130.4261 50.9084 20.3310 176.3870 114 F 4.7931 8.9924 126.9587 56.3795 38.2446 175.8934 115 G 3.9351 8.0896 118.2358 45.0312 0.0000 171.2442 116 V 4.5328 6.1678 117.7767 60.5384 33.8015 176.0175 117 L 4.2525 8.8547 129.7648 55.1292 42.7393 176.7001 118 T 5.4170 8.7455 112.8266 58.7475 68.8730 172.6843 119 T 4.5815 8.1502 120.9350 61.0046 72.0108 175.2143 120 E 4.0831 9.7138 120.7756 57.5295 30.3702 177.3733 121 S 4.7027 7.5813 111.9380 55.5798 67.6106 174.8021 122 I 3.6856 8.2391 123.2480 64.3119 36.6079 177.9275 123 E 3.9169 8.2059 118.9426 59.7822 29.6623 178.6442 124 Q 4.2826 8.1386 117.3609 58.8671 28.9033 178.5904 125 A 4.0240 7.8252 121.4985 55.4413 18.3168 179.7528 126 I 3.7665 7.9101 118.1331 64.6209 37.1180 178.5545 127 E 4.5444 8.0559 120.2874 58.0968 29.3022 178.4213 128 R 4.5249 7.8612 115.3606 55.6652 30.5152 176.6801 129 A 4.7041 7.2519 122.0197 52.6903 19.5048 177.1935 130 G 4.4542 8.1208 108.0046 48.0641 0.0000 175.4284 131 T 4.6147 7.5271 114.8576 60.1021 68.8006 175.7493 132 K 3.7992 9.2008 117.0793 59.3186 31.7804 177.8099 133 A 4.5818 7.8178 119.3391 52.0130 20.0034 178.8908 134 G 3.7414 8.1216 110.4832 47.3580 0.0000 173.9442 135 N 5.2464 8.2413 117.8596 50.9224 41.0146 175.5576 136 K 4.0080 8.8807 128.9531 59.2338 32.0811 178.9116 137 G 4.0840 8.3061 107.7750 47.3098 0.0000 175.5158 138 A 4.0381 7.8759 123.1410 54.2963 18.4670 179.2758 139 E 3.8543 8.4604 117.8787 59.3974 29.7667 178.8972 140 A 4.0542 8.5776 122.4246 54.3855 18.3868 179.3506 141 A 3.9039 8.1596 119.4297 55.3196 18.3884 179.8927 142 L 3.8995 7.9423 117.5441 58.2652 41.4520 179.9194 143 T 3.8518 8.0980 109.3801 64.7001 68.4557 175.9793 144 A 4.0059 7.9710 123.7296 54.9740 18.3170 179.1385 145 L 3.8938 7.9012 116.7639 58.1762 41.7937 179.3770 146 E 4.1832 8.3684 120.4093 58.9992 29.4550 178.8277 147 M 4.0263 8.0652 118.3830 58.4435 31.9573 178.3932 148 I 3.6789 7.7663 119.9043 64.8926 37.2994 178.1430 149 N 4.3235 7.9598 116.6131 56.2333 38.1569 177.5905 150 V 3.5969 7.7980 118.9756 66.0394 31.7677 177.9258 151 L 4.0816 8.4434 118.9116 57.8187 41.3884 179.1142 152 K 3.8265 8.0864 118.3402 59.6065 32.0639 177.1826 153 A 4.4605 8.2130 120.1796 51.7292 19.2660 177.2684 154 I 3.9005 7.8611 120.9880 63.1634 37.7073 174.0092 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 4.41 0.00 1.99 2.06 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 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.60 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.36 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.44 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.54 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 7 N 8.18 5.04 0.00 2.74 2.64 0.00 0.00 6.86 7.71 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 8 V 8.17 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.05 4.14 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 10 A 8.34 4.61 1.24 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 11 P 0.00 4.79 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.06 4.74 0.00 2.69 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 13 A 7.58 4.59 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 14 R 9.54 4.83 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.84 4.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.83 0.31 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 17 I 8.66 4.75 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.74 0.00 0.00 18 T 8.64 4.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.30 5.22 0.77 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.10 0.37 0.00 0.00 20 A 8.46 4.96 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 21 R 9.29 4.46 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.24 4.63 0.00 3.15 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 23 N 9.83 4.72 0.00 2.97 3.03 0.00 0.00 6.87 8.22 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 24 Q 8.36 4.16 0.00 2.53 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 4.01 0.00 3.12 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 26 I 8.29 4.20 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 0.95 0.00 0.00 27 N 8.30 4.35 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.69 4.44 0.00 2.65 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 29 S 7.96 4.07 0.00 3.81 3.87 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 30 L 7.81 4.06 0.00 1.92 1.63 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.60 3.87 0.00 1.74 1.75 0.77 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.53 4.49 0.00 2.87 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 33 G 8.15 3.60 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 0.00 0.00 0.00 34 A 7.91 3.93 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 35 V 7.89 3.43 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 0.97 0.00 0.00 0.93 0.00 0.00 36 D 8.22 4.30 0.00 2.84 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 37 A 8.27 3.91 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 38 L 8.53 3.89 0.00 1.85 1.74 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.27 4.20 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 1.28 0.00 0.00 40 R 8.12 3.86 0.00 1.84 2.23 0.00 3.25 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.73 4.19 2.08 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 1.45 0.95 0.91 0.00 0.00 42 G 7.83 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 43 Q 7.99 3.74 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.49 3.91 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 0.93 0.00 0.00 1.04 0.00 0.00 45 K 8.57 4.35 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.71 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.81 0.00 2.78 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 48 N 8.58 4.70 0.00 2.86 2.99 0.00 0.00 6.91 7.50 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 49 I 7.60 4.97 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.88 4.71 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 51 V 8.40 4.62 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 0.49 0.00 0.00 0.84 0.00 0.00 52 V 8.95 4.30 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.00 4.89 0.00 3.23 3.23 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 54 V 8.73 4.34 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 0.84 0.00 0.00 0.98 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.96 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 57 A 8.49 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.17 4.21 0.00 2.92 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 59 E 8.21 4.15 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 60 L 7.62 3.90 0.00 1.76 1.71 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.02 1.84 0.00 3.65 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 2.06 2.09 0.00 62 L 7.70 3.88 0.00 1.63 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.78 3.99 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 64 T 8.15 3.85 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 65 E 8.97 3.85 0.00 1.99 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 0.00 2.31 2.33 0.00 66 A 7.99 4.01 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 67 L 7.59 4.10 0.00 1.76 1.66 0.62 0.74 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 68 A 8.24 4.22 1.38 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 69 K 8.17 3.94 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.08 4.20 0.00 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.53 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 72 K 7.72 3.56 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.99 5.12 0.00 2.76 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 74 D 9.13 4.74 0.00 2.55 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 75 A 7.39 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 76 V 8.22 4.75 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.67 4.39 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.59 4.93 1.15 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 0.00 0.00 79 L 7.96 5.27 0.00 1.38 1.41 0.85 0.63 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 80 G 7.76 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 0.00 0.00 0.00 0.00 81 T 8.14 5.11 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 1.19 0.00 0.00 82 V 9.08 4.22 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.17 4.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.84 0.00 0.00 84 R 8.46 3.66 0.00 0.67 1.38 0.00 3.05 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.77 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.37 4.29 0.00 3.29 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.01 0.00 3.11 3.04 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 91 E 7.94 3.59 0.00 1.94 1.12 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 2.01 2.18 0.00 92 Y 7.41 4.36 0.00 2.98 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 93 V 7.69 3.68 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.83 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.08 3.62 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 0.00 0.00 0.00 96 G 8.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.81 4.26 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 98 S 8.21 4.21 0.00 3.75 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 99 N 8.54 4.45 0.00 2.80 2.83 0.00 0.00 6.95 8.43 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 0.00 100 G 7.75 3.71 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 0.00 0.00 0.00 101 L 8.00 3.99 0.00 1.89 1.82 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.98 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.32 3.95 0.00 3.96 4.02 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 0.00 104 V 7.75 3.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 105 A 7.82 4.43 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 0.00 106 Q 7.64 3.94 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.99 4.53 0.00 2.70 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 0.00 108 S 8.34 4.34 0.00 4.02 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 0.00 109 G 7.98 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 0.00 110 V 7.56 3.95 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 1.00 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.62 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.92 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.93 4.44 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 0.00 114 F 8.99 4.79 0.00 3.00 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 0.00 115 G 8.09 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 0.00 116 V 6.17 4.53 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 0.67 0.00 0.00 0.01 0.00 0.00 117 L 8.85 4.25 0.00 1.60 1.58 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.75 5.42 4.46 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 1.25 0.00 0.00 119 T 8.15 4.58 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 1.24 0.00 0.00 120 E 9.71 4.08 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 121 S 7.58 4.70 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.24 3.69 1.84 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 1.47 0.70 0.87 0.00 0.00 123 E 8.21 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.14 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.83 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.91 3.77 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.95 0.99 0.00 0.00 127 E 8.06 4.54 0.00 2.26 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 2.38 0.00 128 R 7.86 4.52 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.25 4.70 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 0.00 130 G 8.12 4.45 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 0.00 131 T 7.53 4.61 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 1.27 0.00 0.00 132 K 9.20 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.58 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 0.00 134 G 8.12 3.74 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 0.00 0.00 0.00 135 N 8.24 5.25 0.00 2.69 2.65 0.00 0.00 6.93 7.06 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 0.00 136 K 8.88 4.01 0.00 1.83 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.31 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 0.00 138 A 7.88 4.04 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 0.00 139 E 8.46 3.85 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.58 4.05 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 0.00 141 A 8.16 3.90 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 0.00 142 L 7.94 3.90 0.00 2.01 1.72 0.91 0.48 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 0.00 143 T 8.10 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 1.28 0.00 0.00 144 A 7.97 4.01 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 0.00 145 L 7.90 3.89 0.00 1.86 1.90 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.37 4.18 0.00 2.01 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 2.31 2.23 0.00 147 M 8.07 4.03 0.00 2.09 2.34 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 2.89 0.00 148 I 7.77 3.68 2.05 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 1.68 0.88 0.92 0.00 0.00 149 N 7.96 4.32 0.00 2.91 2.86 0.00 0.00 6.74 8.88 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 0.00 150 V 7.80 3.60 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.44 4.08 0.00 1.92 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.09 3.83 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.21 4.46 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 0.00 154 I 7.86 3.90 1.87 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 1.16 0.60 0.91 0.00 0.00