NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.3285 8.4293 116.1788 55.0094 30.2757 173.2130 2 C 4.2197 7.6909 113.8182 57.0223 30.3055 172.4741 3 D 4.7130 8.4297 119.0540 54.5073 40.1618 175.4852 4 L 4.0771 8.0020 119.6376 57.5723 42.0735 175.5983 5 P 4.5292 0.0000 0.0000 62.3362 32.2323 175.6270 6 C 4.2075 8.5485 114.5265 57.9951 30.4434 174.9904 7 G 4.0126 8.1597 107.1912 45.5950 0.0000 173.4100 8 V 4.1712 7.2961 119.5729 60.1420 32.0961 175.3775 9 F 4.7423 8.3528 122.5741 55.7006 42.8883 174.3047 10 D 3.8357 7.9209 120.5599 51.6790 43.5383 174.4143 11 P 4.1854 0.0000 0.0000 64.1343 31.1953 177.8864 12 A 3.9822 8.6078 120.9552 55.0568 17.5971 179.8433 13 Q 3.7292 8.0604 116.5308 58.9468 28.7334 178.3979 14 A 4.0492 7.8523 121.2110 55.2507 18.4589 179.1080 15 R 3.8444 8.1553 117.3446 60.0746 30.1158 178.7650 16 I 3.8605 7.9955 119.3713 64.3012 37.0222 178.4052 17 E 3.9948 7.9697 118.4678 59.3443 29.3349 179.2316 18 A 4.0755 8.3123 120.9777 55.0215 18.3855 179.4851 19 E 3.9603 8.7278 117.7412 59.7439 29.5027 179.7583 20 S 4.1330 8.1254 115.2493 61.3107 62.8512 176.7260 21 V 3.5487 7.8082 121.0354 66.0582 31.2249 177.9710 22 K 4.1049 8.1775 118.9502 59.5643 32.0010 178.5439 23 A 4.1536 8.2271 121.1162 55.1394 18.1841 179.8459 24 V 3.6031 7.9145 116.8682 65.9946 31.4708 178.2318 25 Q 3.9944 8.1911 117.8560 59.0710 28.3883 178.5746 26 E 4.0094 8.1335 118.1701 59.7128 29.8691 179.5314 27 K 4.2120 8.2004 118.1846 59.6729 31.9984 179.3237 28 M 4.3368 8.5794 119.1562 58.3781 31.6190 178.5289 29 A 4.1226 7.8761 120.2199 54.3005 18.5798 179.0102 30 G 4.0530 7.8346 102.8891 44.8474 0.0000 173.5864 31 N 4.6205 7.5013 118.9555 52.6288 40.4887 173.1834 32 D 4.7170 8.6203 124.7791 53.0221 40.2251 176.4582 33 D 4.3447 8.3294 120.0381 54.8076 41.9665 174.9821 34 P 4.2687 0.0000 0.0000 66.0948 31.4914 177.8372 35 H 4.1263 8.3069 116.1847 59.3568 29.7877 176.5105 36 F 3.9810 8.7656 122.3022 61.6049 39.1493 176.8909 37 Q 3.9665 8.6005 117.7937 59.4677 28.4436 179.3955 38 T 3.8034 8.1757 116.7563 66.6799 68.4669 177.0558 39 R 3.7579 7.8814 119.7276 59.0463 29.9914 178.9177 40 A 3.7215 7.8402 120.9552 55.2782 18.2982 179.8526 41 T 3.7152 7.9340 114.2693 66.6571 68.5299 176.7715 42 V 3.5446 7.8931 120.4398 66.3431 31.4066 178.2013 43 I 3.6821 7.7841 119.2385 64.1653 36.8957 178.3132 44 K 3.8581 8.3644 120.9700 59.4782 32.1047 178.3326 45 E 3.9017 8.2324 119.5233 59.3477 29.5186 178.9472 46 Q 3.9672 7.9017 117.5678 59.0463 28.7949 178.8785 47 R 3.9097 8.2312 119.0446 59.1398 30.0586 178.9529 48 A 3.9718 8.1644 120.6551 55.1758 18.4160 179.1800 49 E 3.8620 8.0287 117.3067 59.4573 29.6592 179.0938 50 L 3.9303 8.1052 118.6944 57.7015 41.6697 179.2474 51 A 4.0728 8.1856 120.7614 55.1362 18.2406 179.6929 52 K 3.8558 8.2295 117.0136 59.8957 32.1164 178.9216 53 H 4.1170 8.2339 118.2275 59.6691 29.7963 176.8813 54 H 4.2104 8.1745 117.9230 58.8708 28.5374 177.9658 55 V 3.6032 8.0085 119.9166 66.1346 31.3983 177.8554 56 S 4.2775 8.7972 113.3520 61.5304 62.1624 176.2020 57 V 3.7038 8.2626 121.2060 66.0298 31.1768 177.8062 58 L 3.8963 8.0660 118.6191 57.7063 41.3291 179.1935 59 W 4.8445 8.2576 126.8875 60.7940 30.7302 177.5188 60 S 4.1335 8.4351 112.4748 60.2884 63.0928 175.1832 61 D 4.7533 8.5304 120.9152 54.6882 41.8384 176.8249 62 Y 3.5156 7.3109 118.6563 58.9728 39.4579 175.6826 63 F 4.0517 7.7704 118.1547 57.2740 39.5580 174.8090 64 K 4.6953 8.0805 122.3647 53.1051 36.0661 175.2154 65 P 4.4640 0.0000 0.0000 65.8579 31.0390 177.2394 66 P 4.2744 0.0000 0.0000 65.6282 31.0920 178.4081 67 H 4.3830 8.0049 115.5310 58.8377 28.2579 177.8143 68 F 4.3395 7.6979 118.9579 60.0830 38.4981 177.3486 69 E 3.9735 8.1212 118.7428 59.2231 29.6257 178.4832 70 K 4.0529 7.9470 118.2180 57.8673 33.4759 176.2371 71 Y 4.7605 8.0161 117.6765 54.9217 37.8317 174.1171 72 P 4.5731 0.0000 0.0000 63.9440 32.1677 177.8734 73 E 4.4134 8.0944 116.2526 56.5753 30.6740 177.6988 74 L 3.9413 8.3108 122.8976 58.6293 42.0331 178.1286 75 H 4.2803 8.3219 115.7357 59.2254 28.7314 177.3361 76 Q 3.8273 8.0386 120.5566 58.8499 28.9695 177.4977 77 L 3.8615 7.9572 121.4622 58.3072 41.9965 179.2948 78 V 3.3880 7.7087 117.9034 65.8266 31.4003 177.2718 79 N 3.9240 7.7743 116.8531 56.8784 38.6767 176.5007 80 D 4.0421 8.2384 120.3868 57.3411 40.7814 178.8568 81 T 3.4528 7.8077 116.5005 66.5162 68.4200 176.5824 82 L 3.9232 7.8787 120.9640 57.7456 41.5537 179.7749 83 K 3.8533 8.0369 118.1659 59.2763 31.8712 179.0343 84 A 4.0128 8.3995 121.3320 55.3593 18.2028 179.6923 85 L 3.9401 7.9925 117.2312 58.0877 41.6925 179.8731 86 S 4.0826 8.2975 114.9823 61.6099 62.5183 176.7298 87 A 3.9859 7.9989 122.4440 54.9938 18.4369 179.2141 88 A 4.2148 8.2862 121.0247 54.5558 18.2171 179.6478 89 K 3.9080 8.1214 116.5674 59.8508 32.3778 179.0843 90 G 3.8193 7.7513 101.8195 44.7713 0.0000 173.1130 91 S 4.7993 7.3388 114.8104 56.4151 65.1910 173.7793 92 K 4.2791 8.4626 123.1113 56.4640 32.7876 176.1948 93 D 4.5770 8.0803 121.2549 52.6717 41.3472 175.1192 94 P 5.1325 0.0000 0.0000 64.7410 31.1449 178.0738 95 A 4.0617 8.7313 121.9296 55.1337 18.0839 179.6518 96 T 3.9755 8.1091 108.9939 64.7287 68.8855 177.0928 97 G 3.7026 8.1973 108.1873 47.7215 0.0000 175.2047 98 Q 3.9488 8.4486 122.7622 58.5409 28.9990 177.9501 99 K 3.7641 8.4049 120.8374 59.5922 32.1293 178.5100 100 A 4.1533 8.1026 120.7949 55.2869 18.2626 179.5132 101 L 3.9995 8.1765 117.6112 58.0551 41.6885 179.5497 102 D 4.3111 8.6458 119.0356 57.5643 40.7765 178.4392 103 Y 4.1692 8.1296 117.2605 61.2138 37.8396 178.5765 104 I 3.7536 8.3337 120.8995 64.6165 37.2679 178.2705 105 A 4.0926 8.3613 121.5087 55.1960 18.2285 179.7903 106 Q 3.9856 8.0606 116.5978 59.2424 28.8209 178.8544 107 I 3.7556 7.8826 120.8323 64.4567 37.0592 177.9702 108 D 4.4257 8.6056 119.2186 57.1565 41.0829 177.8754 109 K 3.9910 8.2589 120.1243 59.8486 32.1651 178.4922 110 I 3.4218 7.6347 119.3290 64.3143 36.9001 177.8299 111 F 3.9290 8.6582 121.7732 61.5634 38.8575 177.4374 112 W 4.2286 8.3588 116.6725 59.3551 29.1055 178.1217 113 E 4.2385 8.3989 119.3121 59.7079 28.7509 179.3379 114 T 4.1338 7.7147 108.0572 64.0359 69.0566 176.3622 115 K 4.0565 7.3298 120.1756 58.0064 32.1906 176.9849 116 K 4.2218 7.8396 123.4569 56.5469 32.1144 176.5049 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 H 8.43 4.33 0.00 3.16 3.09 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.69 4.22 0.00 3.09 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 3 D 8.43 4.71 0.00 2.87 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 4 L 8.00 4.08 0.00 1.59 1.77 0.91 0.97 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 5 P 0.00 4.53 0.00 2.26 2.11 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 6 C 8.55 4.21 0.00 3.01 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 7 G 8.16 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 8 V 7.30 4.17 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 0.78 0.00 0.00 0.92 0.00 0.00 9 F 8.35 4.74 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.92 3.84 0.00 2.63 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 11 P 0.00 4.19 0.00 2.25 1.93 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 12 A 8.61 3.98 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 13 Q 8.06 3.73 0.00 1.81 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 14 A 7.85 4.05 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 15 R 8.16 3.84 0.00 2.00 1.96 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 16 I 8.00 3.86 1.86 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 1.52 0.72 0.91 0.00 0.00 17 E 7.97 3.99 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 18 A 8.31 4.08 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 19 E 8.73 3.96 0.00 2.16 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 2.34 2.54 0.00 20 S 8.13 4.13 0.00 4.07 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 21 V 7.81 3.55 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.18 4.10 0.00 1.89 1.93 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.66 7.81 23 A 8.23 4.15 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 24 V 7.91 3.60 2.21 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 1.10 0.00 0.00 0.94 0.00 0.00 25 Q 8.19 3.99 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 26 E 8.13 4.01 0.00 2.13 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 0.00 2.37 2.48 0.00 27 K 8.20 4.21 0.00 2.14 2.17 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.64 7.81 28 M 8.58 4.34 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.55 0.00 29 A 7.88 4.12 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 30 G 7.83 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 31 N 7.50 4.62 0.00 2.45 2.21 0.00 0.00 7.15 8.35 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 32 D 8.62 4.72 0.00 2.83 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 33 D 8.33 4.34 0.00 2.85 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 34 P 0.00 4.27 0.00 2.24 2.13 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 H 8.31 4.13 0.00 3.25 3.61 0.00 5.88 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 36 F 8.77 3.98 0.00 3.17 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 37 Q 8.60 3.97 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 38 T 8.18 3.80 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 1.17 0.00 0.00 39 R 7.88 3.76 0.00 1.67 1.79 0.00 2.97 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 40 A 7.84 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.93 3.72 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 42 V 7.89 3.54 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 0.99 0.00 0.00 0.90 0.00 0.00 43 I 7.78 3.68 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.87 0.00 0.00 44 K 8.36 3.86 0.00 1.81 1.93 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.23 3.90 0.00 2.26 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 2.29 2.39 0.00 46 Q 7.90 3.97 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 47 R 8.23 3.91 0.00 1.80 2.13 0.00 3.29 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 48 A 8.16 3.97 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 49 E 8.03 3.86 0.00 2.19 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 0.00 2.30 2.39 0.00 50 L 8.11 3.93 0.00 1.92 1.70 0.93 0.52 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 51 A 8.19 4.07 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.23 3.86 0.00 1.99 1.88 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.60 7.81 53 H 8.23 4.12 0.00 3.25 3.42 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 54 H 8.17 4.21 0.00 3.39 3.31 0.00 5.68 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 55 V 8.01 3.60 2.23 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 1.01 0.00 0.00 1.01 0.00 0.00 56 S 8.80 4.28 0.00 4.00 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 57 V 8.26 3.70 2.33 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 1.34 0.00 0.00 0.89 0.00 0.00 58 L 8.07 3.90 0.00 2.11 1.79 0.87 0.49 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 59 W 8.26 4.84 0.00 3.44 3.67 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 60 S 8.44 4.13 0.00 4.00 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 61 D 8.53 4.75 0.00 3.10 3.10 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 62 Y 7.31 3.52 0.00 1.43 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 0.00 0.00 0.00 0.00 63 F 7.77 4.05 0.00 3.16 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 0.00 0.00 0.00 64 K 8.08 4.70 0.00 1.44 1.53 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.13 7.81 65 P 0.00 4.46 0.00 2.16 2.18 0.00 3.57 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 2.14 2.28 0.00 66 P 0.00 4.27 0.00 1.96 2.01 0.00 3.39 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 67 H 8.00 4.38 0.00 2.84 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.70 4.34 0.00 3.17 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 69 E 8.12 3.97 0.00 2.01 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 0.00 2.29 2.30 0.00 70 K 7.95 4.05 0.00 1.65 1.55 0.00 1.66 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.59 1.17 7.81 71 Y 8.02 4.76 0.00 3.08 2.79 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 72 P 0.00 4.57 0.00 2.19 2.21 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 73 E 8.09 4.41 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 74 L 8.31 3.94 0.00 1.81 1.96 0.58 0.23 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 75 H 8.32 4.28 0.00 3.24 3.32 0.00 5.68 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 76 Q 8.04 3.83 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 77 L 7.96 3.86 0.00 1.89 1.83 1.11 0.78 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 78 V 7.71 3.39 1.57 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 0.59 0.00 0.00 1.00 0.00 0.00 79 N 7.77 3.92 0.00 2.45 2.70 0.00 0.00 7.28 8.19 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 80 D 8.24 4.04 0.00 2.39 1.79 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 81 T 7.81 3.45 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 1.22 0.00 0.00 82 L 7.88 3.92 0.00 1.66 1.62 0.76 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.04 3.85 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.35 7.81 84 A 8.40 4.01 1.48 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 0.00 0.00 85 L 7.99 3.94 0.00 1.86 1.73 0.95 0.76 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 86 S 8.30 4.08 0.00 3.99 3.90 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 87 A 8.00 3.99 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 88 A 8.29 4.21 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 89 K 8.12 3.91 0.00 1.91 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.48 7.81 90 G 7.75 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 91 S 7.34 4.80 0.00 3.87 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 92 K 8.46 4.28 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 D 8.08 4.58 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 5.13 0.00 2.31 2.31 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 95 A 8.73 4.06 1.46 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 0.00 0.00 96 T 8.11 3.98 4.26 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 1.22 0.00 0.00 97 G 8.20 3.70 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 0.00 0.00 0.00 98 Q 8.45 3.95 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 99 K 8.40 3.76 0.00 1.98 2.00 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.40 7.81 100 A 8.10 4.15 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 0.00 101 L 8.18 4.00 0.00 1.89 1.75 0.99 1.02 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 0.00 102 D 8.65 4.31 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.17 0.00 3.25 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 0.00 104 I 8.33 3.75 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 0.95 0.00 0.00 105 A 8.36 4.09 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 0.00 106 Q 8.06 3.99 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 107 I 7.88 3.76 2.10 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 1.45 0.81 1.11 0.00 0.00 108 D 8.61 4.43 0.00 2.86 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 0.00 109 K 8.26 3.99 0.00 2.02 2.07 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.58 7.81 110 I 7.63 3.42 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.39 -0.01 0.00 0.00 111 F 8.66 3.93 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 0.00 112 W 8.36 4.23 0.00 3.38 3.27 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 0.00 113 E 8.40 4.24 0.00 2.30 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 2.45 2.44 0.00 114 T 7.71 4.13 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 1.35 0.00 0.00 115 K 7.33 4.06 0.00 1.94 1.93 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.63 0.47 7.81 116 K 7.84 4.22 0.00 1.91 1.76 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.70 7.81