NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4293 8.1233 122.4740 52.0765 20.3959 175.2018 2 T 5.0361 8.3805 117.1153 61.2155 71.5209 171.4003 3 W 5.1350 10.8057 128.4230 55.4103 32.5587 174.8303 4 T 5.2975 9.5171 120.4634 62.1010 71.0773 172.4956 5 C 5.5010 9.8773 123.4200 55.2098 44.1420 172.9967 6 I 4.8813 8.4654 122.9941 59.7724 38.6982 174.4599 7 N 5.2052 9.3246 126.6037 51.6433 41.8877 173.3587 8 Q 4.8478 9.2908 126.2501 56.1034 30.2558 175.1999 9 Q 5.1181 9.7139 122.4293 53.8544 33.3875 174.4709 10 L 3.6962 7.7254 124.9702 54.4149 42.4827 175.6939 11 N 4.3642 8.5410 127.2330 52.7988 39.3245 174.0962 12 P 4.1793 0.0000 0.0000 65.5898 31.7590 178.0156 13 K 4.0561 8.0397 116.5887 58.8628 32.0327 177.8325 14 T 4.2917 7.9579 106.2203 60.5487 69.4222 173.8728 15 N 4.2886 7.5422 118.6730 53.9636 38.3620 173.1261 16 K 4.7728 7.3487 113.9238 54.0159 36.0135 175.0601 17 W 4.7388 8.9341 122.1517 56.8145 29.6900 175.4705 18 E 4.9011 9.5064 124.4500 54.3272 32.7718 175.0901 19 D 4.8116 8.7795 122.6547 54.3071 41.8097 175.7447 20 K 4.5970 9.2702 124.0492 54.5192 34.6570 175.3709 21 R 4.7559 8.6820 126.1007 55.6450 31.1050 175.2092 22 L 4.7843 9.5151 126.8269 52.8977 44.7623 175.2995 23 L 5.2885 8.2830 123.2355 53.3041 44.2270 174.9514 24 Y 4.7685 9.5340 121.1029 56.1482 41.9365 174.7796 25 S 4.8858 8.6998 117.9594 57.1946 63.5032 174.3450 26 Q 3.7610 9.1442 129.3060 59.2564 28.7144 178.2825 27 A 3.8957 7.8962 121.1506 55.1900 18.4241 179.6630 28 K 3.9451 8.1570 116.7759 59.3202 32.0983 179.4967 29 A 4.2462 8.1905 122.7557 54.6623 18.4086 179.4286 30 E 3.7446 8.3466 117.4611 59.6912 29.5404 179.5178 31 S 4.0226 8.0681 112.9639 61.4489 61.8596 175.9299 32 N 4.9603 8.4489 120.8206 55.8968 38.1014 177.5447 33 S 3.3317 7.4028 114.3935 61.2311 62.9407 175.9042 34 H 4.2759 7.4159 118.9781 58.6922 28.5837 177.0094 35 H 4.4302 7.9598 116.7452 56.9785 28.9522 175.7659 36 A 3.8195 6.5641 123.3786 50.0914 19.1427 175.5008 37 P 4.3086 0.0000 0.0000 62.6703 32.3103 177.0201 38 L 4.4668 8.0956 123.4435 53.5674 40.3879 175.1171 39 S 4.6998 7.6443 115.1549 56.5326 66.6087 174.3855 40 D 4.7489 8.4881 120.4247 53.0097 41.4091 176.8239 41 G 3.8052 9.0268 117.8787 45.7864 0.0000 173.3477 42 K 4.2057 8.9808 124.4243 57.1041 29.8860 175.1919 43 T 4.8938 7.3148 108.8364 59.2612 71.8572 175.0928 44 G 3.8157 8.9400 111.5845 48.7916 0.0000 175.7606 45 S 4.4844 8.4925 114.3488 58.9831 63.4719 175.9057 46 S 4.5001 8.4198 115.2999 57.7010 62.3964 167.6769 47 Y 4.9397 7.6567 117.8706 55.7749 39.9348 173.7735 48 P 5.3821 0.0000 0.0000 63.4238 33.5262 174.3622 49 H 5.4267 8.8344 114.8552 53.5504 32.5310 172.3425 50 W 4.8383 9.4022 129.8085 58.6188 29.6323 174.9739 51 F 4.6839 9.9068 131.0679 56.5605 39.6342 176.3901 52 T 3.2396 7.3587 117.7625 62.3934 68.7231 174.2951 53 N 3.6428 6.8432 118.7255 53.9967 38.0935 174.7133 54 G 3.6298 7.7693 103.0287 44.8288 0.0000 173.4181 55 Y 4.9625 7.7770 117.1526 56.2465 40.3704 174.1360 56 D 5.2049 8.5572 121.3458 51.6329 41.9499 176.6395 57 G 3.6280 8.6568 105.9245 47.6385 0.0000 174.0826 58 N 4.9688 9.7185 119.2382 53.3063 39.0413 175.9326 59 G 4.0059 7.7083 103.5251 46.2156 0.0000 174.0997 60 K 4.4375 7.8428 118.3259 54.8449 32.9281 175.9096 61 L 4.2736 8.4984 126.5950 54.6326 42.7493 176.4612 62 I 3.8697 8.3889 128.2811 60.8128 37.5959 176.0066 63 K 3.6804 8.7705 128.0170 57.3045 32.7682 176.1861 64 G 3.9107 8.7162 113.1049 46.7659 0.0000 173.7024 65 R 4.4698 7.8138 116.2179 54.1496 33.9094 175.2521 66 T 4.3692 8.1652 118.3920 60.9256 69.9680 172.5176 67 P 4.5422 0.0000 0.0000 62.0885 32.1140 176.3484 68 I 3.7554 9.1306 122.2259 60.9629 37.4549 176.3114 69 K 4.3939 8.2491 124.8362 55.5648 32.1305 176.6958 70 F 4.3659 9.9184 124.6306 58.0830 39.3849 177.4348 71 G 4.0222 9.5311 107.8394 45.1312 0.0000 173.0692 72 K 4.4988 8.0204 118.1265 53.6842 35.5478 176.5749 73 A 4.0076 8.9894 126.6365 55.7467 18.0800 178.8132 74 D 4.3577 8.1647 115.0339 57.9301 40.9389 179.4423 75 C 4.4813 8.4352 116.0960 58.8808 40.4617 174.7204 76 D 4.7135 7.6393 117.6517 53.2753 41.3373 176.5978 77 R 4.1304 7.4148 120.5383 54.8898 30.9151 174.1835 78 P 3.3602 0.0000 0.0000 62.2017 31.8139 174.3277 79 P 4.7364 0.0000 0.0000 62.2952 33.8371 174.9764 80 K 4.6634 8.9405 121.5027 54.8613 34.2824 174.1064 81 H 4.8140 8.7883 128.1165 53.8966 32.2683 173.5181 82 S 4.2161 8.5457 121.0409 57.0801 64.1896 175.0926 83 Q 3.6733 8.2772 121.4652 59.3017 28.5008 177.7468 84 N 4.4959 8.0895 112.6263 52.0249 37.9505 175.5349 85 G 3.9589 7.9751 106.8704 46.9895 0.0000 174.1220 86 M 4.7329 7.4247 115.2500 54.1462 33.6531 176.3387 87 G 3.8663 8.6776 109.7069 45.7869 0.0000 174.2099 88 K 4.4049 8.5140 119.4713 56.8152 32.4866 177.5806 89 D 4.7157 7.9376 114.0401 54.2505 41.3949 174.8037 90 D 4.9707 8.0761 119.7847 54.9623 42.2318 175.9480 91 H 5.3586 9.1468 117.7588 55.5442 31.7728 172.0119 92 Y 5.0882 7.9603 120.3303 56.1742 41.5259 172.9105 93 L 5.0314 9.0038 118.9873 53.8241 43.8658 176.0144 94 L 5.4170 8.8391 122.7948 52.8515 44.8374 175.2308 95 E 5.1343 8.9970 120.0236 54.7523 32.8025 174.6291 96 F 4.9018 8.5356 122.9413 55.9713 43.4561 171.7247 97 P 4.0848 0.0000 0.0000 63.0995 31.5052 175.5616 98 T 4.6144 7.5493 117.2255 60.3559 70.6546 172.9334 99 F 5.2860 8.7489 124.5349 54.8736 42.9052 174.2434 100 P 4.1481 0.0000 0.0000 65.0856 31.0846 177.5784 101 D 4.4521 8.1893 114.5224 53.6732 39.5597 177.2400 102 G 4.0531 8.6004 108.7334 45.9091 0.0000 173.9122 103 H 4.4390 8.7238 115.4949 55.3743 29.4230 174.7924 104 D 4.8094 8.6439 121.1261 53.7682 41.4518 175.6704 105 Y 4.4798 9.0153 125.6066 57.7593 39.5945 176.5488 106 K 4.1053 8.2679 129.2345 54.7761 30.7135 177.1325 107 F 5.1238 8.5466 117.9971 58.1412 38.3809 177.2708 108 D 4.6305 7.1438 118.9426 53.5180 39.9816 175.8291 109 S 4.5681 7.4617 115.5918 56.9153 63.5154 173.0137 110 K 4.4230 8.6259 127.3898 56.5469 33.1373 176.0944 111 K 4.4481 7.6824 117.7936 53.8575 34.2964 174.0909 112 P 4.6287 0.0000 0.0000 61.7434 32.5734 175.5778 113 K 4.6501 8.1388 118.3237 54.8048 34.4598 176.0583 114 E 3.9827 8.3997 122.0404 56.0073 30.1602 175.9483 115 D 4.6099 8.6978 124.9284 53.4919 41.1755 174.5125 116 P 3.9888 0.0000 0.0000 63.6726 31.4276 177.3070 117 G 4.0124 8.5953 108.1484 44.0599 0.0000 171.2486 118 P 4.6064 0.0000 0.0000 64.0833 32.7945 175.8354 119 A 5.0307 7.7248 121.9305 50.1209 22.3090 175.4765 120 R 4.7708 8.6725 118.1367 54.1672 34.7850 174.7359 121 V 4.1859 8.5857 122.8821 60.6440 33.5729 174.7239 122 I 4.5544 8.2916 126.4928 59.6825 39.1025 174.3625 123 Y 5.2039 8.1314 124.1519 55.3385 41.9891 174.6654 124 T 4.5405 8.7836 111.0755 61.8316 70.8742 172.4884 125 Y 4.7720 8.8253 124.7975 55.1569 40.8786 174.1236 126 P 3.9201 0.0000 0.0000 62.3891 31.6985 175.0942 127 N 4.4757 7.9102 114.7666 52.7866 39.3592 174.6713 128 K 4.0860 7.6327 117.3296 57.4022 30.3067 175.6687 129 V 3.9519 8.4622 119.2660 62.2231 33.0449 175.8015 130 F 4.3574 8.9913 130.8036 59.1761 39.4698 174.1192 131 C 4.3129 7.7157 122.8089 56.5829 39.0523 174.2226 132 G 3.1287 5.4412 102.0345 46.0316 0.0000 170.5236 133 I 4.5646 5.6414 119.4983 59.2850 39.7573 175.7483 134 V 4.9416 8.1535 118.7365 59.8524 35.9198 174.3183 135 A 4.8641 8.5028 122.1602 51.0166 22.9018 175.6961 136 H 4.9267 8.6554 117.4655 55.6586 29.1340 176.2338 137 Q 4.1880 8.8556 120.7897 57.9351 30.4371 176.0329 138 R 4.5778 7.6518 119.3651 54.8357 32.8662 174.3750 139 G 3.9789 8.9026 116.1244 47.3257 0.0000 174.0184 140 N 5.1020 8.6651 113.9810 52.1820 39.4074 173.4981 141 Q 4.1807 7.5107 115.7014 55.1537 32.9090 173.6152 142 G 3.7263 8.4633 106.1793 43.7999 0.0000 172.5103 143 D 4.7897 8.4351 118.4610 52.9825 41.7005 174.8838 144 L 4.9244 8.4077 118.3274 53.0546 43.8400 176.5046 145 R 4.7319 8.7855 122.2310 53.6679 33.9479 174.8933 146 L 4.3941 8.5941 124.5246 56.1930 42.6009 177.6085 147 C 4.9690 9.2638 124.7060 56.4005 37.2105 172.7380 148 S 4.9959 8.7846 114.5131 57.6344 65.4171 174.5388 149 H 4.4342 7.8458 114.5800 56.5163 27.6422 173.3595 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 A 8.12 4.43 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 2 T 8.38 5.04 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 1.30 0.00 0.00 3 W 10.81 5.14 0.00 3.38 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 4 T 9.52 5.30 4.33 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 1.34 0.00 0.00 5 C 9.88 5.50 0.00 3.02 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 6 I 8.47 4.88 1.92 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 0.88 0.96 0.00 0.00 7 N 9.32 5.21 0.00 2.77 2.73 0.00 0.00 6.79 7.03 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 8 Q 9.29 4.85 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 9 Q 9.71 5.12 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 10 L 7.73 3.70 0.00 0.27 0.81 0.21 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.54 4.36 0.00 2.94 2.70 0.00 0.00 6.89 7.86 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 12 P 0.00 4.18 0.00 2.02 2.03 0.00 3.67 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 1.97 2.01 0.00 13 K 8.04 4.06 0.00 1.89 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.35 7.81 14 T 7.96 4.29 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 1.20 0.00 0.00 15 N 7.54 4.29 0.00 2.75 2.81 0.00 0.00 6.90 6.99 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 16 K 7.35 4.77 0.00 1.88 1.89 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.43 7.81 17 W 8.93 4.74 0.00 3.21 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 18 E 9.51 4.90 0.00 1.87 1.85 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 2.24 2.44 0.00 19 D 8.78 4.81 0.00 2.61 2.67 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 20 K 9.27 4.60 0.00 1.83 1.76 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 21 R 8.68 4.76 0.00 1.86 1.87 0.00 3.20 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 22 L 9.52 4.78 0.00 1.77 1.40 1.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.28 5.29 0.00 1.53 1.58 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.53 4.77 0.00 2.99 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 25 S 8.70 4.89 0.00 3.90 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 26 Q 9.14 3.76 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 27 A 7.90 3.90 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 28 K 8.16 3.95 0.00 2.00 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 29 A 8.19 4.25 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.35 3.74 0.00 2.05 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 2.14 1.93 0.00 31 S 8.07 4.02 0.00 3.83 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 32 N 8.45 4.96 0.00 3.07 3.04 0.00 0.00 6.43 7.26 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 33 S 7.40 3.33 0.00 2.72 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 34 H 7.42 4.28 0.00 3.23 3.33 0.00 5.65 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 35 H 7.96 4.43 0.00 3.23 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.56 3.82 0.07 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 37 P 0.00 4.31 0.00 2.11 1.89 0.00 2.75 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.38 0.00 38 L 8.10 4.47 0.00 1.63 1.70 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.64 4.70 0.00 4.01 3.83 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 40 D 8.49 4.75 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.03 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 0.00 0.00 0.00 42 K 8.98 4.21 0.00 1.97 2.01 0.00 1.61 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.50 7.81 43 T 7.31 4.89 4.81 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 1.49 0.00 0.00 44 G 8.94 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 0.00 0.00 0.00 45 S 8.49 4.48 0.00 4.60 4.37 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 46 S 8.42 4.50 0.00 4.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 4.94 0.00 3.01 2.92 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 0.00 0.00 0.00 48 P 0.00 5.38 0.00 2.35 2.70 0.00 3.81 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.13 0.00 49 H 8.83 5.43 0.00 3.29 3.56 0.00 5.31 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.40 4.84 0.00 2.68 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.91 4.68 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.36 3.24 3.77 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 -0.57 0.00 0.00 53 N 6.84 3.64 0.00 2.91 3.06 0.00 0.00 7.37 7.86 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 54 G 7.77 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 55 Y 7.78 4.96 0.00 3.06 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 56 D 8.56 5.20 0.00 2.87 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 57 G 8.66 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 58 N 9.72 4.97 0.00 2.76 2.83 0.00 0.00 6.73 7.87 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 59 G 7.71 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 0.00 0.00 0.00 60 K 7.84 4.44 0.00 2.53 1.80 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.58 7.81 61 L 8.50 4.27 0.00 1.55 1.51 0.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.39 3.87 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 0.84 0.00 0.00 63 K 8.77 3.68 0.00 1.71 1.69 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.50 7.81 64 G 8.72 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 65 R 7.81 4.47 0.00 1.71 1.61 0.00 3.20 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 66 T 8.17 4.37 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 1.17 0.00 0.00 67 P 0.00 4.54 0.00 2.12 2.24 0.00 3.61 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 1.86 1.70 0.00 68 I 9.13 3.76 1.63 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.02 0.00 0.00 69 K 8.25 4.39 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 70 F 9.92 4.37 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.53 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 0.00 0.00 0.00 72 K 8.02 4.50 0.00 1.85 1.72 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.52 7.81 73 A 8.99 4.01 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 74 D 8.16 4.36 0.00 2.64 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 75 C 8.44 4.48 0.00 3.14 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 76 D 7.64 4.71 0.00 2.72 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 77 R 7.41 4.13 0.00 1.77 1.82 0.00 3.21 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 78 P 0.00 3.36 0.00 1.95 1.80 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 79 P 0.00 4.74 0.00 2.20 2.32 0.00 2.75 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 80 K 8.94 4.66 0.00 1.62 1.35 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.51 7.81 81 H 8.79 4.81 0.00 2.09 1.94 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.55 4.22 0.00 3.89 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 83 Q 8.28 3.67 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 84 N 8.09 4.50 0.00 2.90 2.98 0.00 0.00 5.97 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 85 G 7.98 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 86 M 7.42 4.73 0.00 1.88 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 87 G 8.68 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 0.00 0.00 0.00 88 K 8.51 4.40 0.00 1.88 1.92 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 89 D 7.94 4.72 0.00 2.80 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 90 D 8.08 4.97 0.00 2.90 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 91 H 9.15 5.36 0.00 3.20 3.35 0.00 5.77 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 92 Y 7.96 5.09 0.00 3.09 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 93 L 9.00 5.03 0.00 2.20 1.73 1.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.84 5.42 0.00 0.57 1.12 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.00 5.13 0.00 1.82 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 2.45 2.34 0.00 96 F 8.54 4.90 0.00 3.32 3.01 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 97 P 0.00 4.08 0.00 0.87 1.19 0.00 2.20 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 98 T 7.55 4.61 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 99 F 8.75 5.29 0.00 3.31 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 0.00 100 P 0.00 4.15 0.00 1.95 1.97 0.00 3.87 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.37 0.00 101 D 8.19 4.45 0.00 2.79 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 0.00 102 G 8.60 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 0.00 103 H 8.72 4.44 0.00 3.28 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.64 4.81 0.00 2.91 2.91 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 0.00 105 Y 9.02 4.48 0.00 2.95 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 0.00 106 K 8.27 4.11 0.00 1.66 1.34 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.14 7.81 107 F 8.55 5.12 0.00 3.95 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 0.00 108 D 7.14 4.63 0.00 2.69 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 0.00 0.00 0.00 109 S 7.46 4.57 0.00 3.71 3.69 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 0.00 110 K 8.63 4.42 0.00 1.86 1.82 0.00 1.63 0.00 0.00 2.39 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.50 7.81 111 K 7.68 4.45 0.00 1.73 1.69 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 112 P 0.00 4.63 0.00 2.19 2.05 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 113 K 8.14 4.65 0.00 2.12 2.05 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.56 7.81 114 E 8.40 3.98 0.00 1.72 1.63 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 2.39 2.26 0.00 115 D 8.70 4.61 0.00 2.78 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 0.00 116 P 0.00 3.99 0.00 1.74 1.65 0.00 4.02 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 117 G 8.60 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 0.00 0.00 0.00 118 P 0.00 4.61 0.00 2.18 2.56 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 119 A 7.72 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.67 4.77 0.00 1.30 1.49 0.00 2.94 0.00 0.00 2.67 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 121 V 8.59 4.19 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 0.97 0.00 0.00 0.98 0.00 0.00 122 I 8.29 4.55 1.16 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.31 0.44 0.00 0.00 123 Y 8.13 5.20 0.00 3.00 2.84 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 0.00 124 T 8.78 4.54 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 1.20 0.00 0.00 125 Y 8.83 4.77 0.00 2.45 1.82 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 0.00 126 P 0.00 3.92 0.00 1.58 0.49 0.00 3.54 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 127 N 7.91 4.48 0.00 2.66 2.84 0.00 0.00 7.17 7.61 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 0.00 128 K 7.63 4.09 0.00 1.87 1.73 0.00 1.65 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.37 7.81 129 V 8.46 3.95 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 1.00 0.00 0.00 0.98 0.00 0.00 130 F 8.99 4.36 0.00 2.99 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 0.00 131 C 7.72 4.31 0.00 2.01 1.65 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 0.00 132 G 5.44 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 0.00 0.00 0.00 133 I 5.64 4.56 1.44 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.45 0.33 0.00 0.00 134 V 8.15 4.94 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 0.68 0.00 0.00 0.58 0.00 0.00 135 A 8.50 4.86 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 0.00 136 H 8.66 4.93 0.00 3.17 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.86 4.19 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 138 R 7.65 4.58 0.00 1.47 1.40 0.00 2.58 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 139 G 8.90 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 0.00 140 N 8.67 5.10 0.00 2.75 2.85 0.00 0.00 6.44 7.69 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 0.00 141 Q 7.51 4.18 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.25 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 142 G 8.46 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.44 4.79 0.00 2.82 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 0.00 144 L 8.41 4.92 0.00 1.67 1.54 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.79 4.73 0.00 1.71 1.77 0.00 3.13 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 146 L 8.59 4.39 0.00 1.54 1.59 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 C 9.26 4.97 0.00 3.29 3.46 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 0.00 148 S 8.78 5.00 0.00 3.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.85 4.43 0.00 2.23 1.31 0.00 5.16 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00