NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5294 8.4293 116.2098 55.1048 30.3745 173.2894 2 C 4.0983 7.8973 114.0094 56.7420 30.1608 172.1522 3 D 4.5737 8.3758 118.5498 55.1050 40.1562 175.4606 4 L 4.0825 8.0863 120.5570 57.0671 42.2485 175.7465 5 P 4.5897 0.0000 0.0000 62.3154 32.3181 175.3070 6 C 4.3950 8.5143 113.0018 57.5981 30.8365 175.0089 7 G 3.9555 8.3678 107.6423 45.5172 0.0000 172.8826 8 V 4.3038 7.2911 118.9756 61.0001 32.8683 174.3375 9 Y 4.6317 8.0517 123.3679 56.7881 42.1583 174.3243 10 D 3.6929 7.9289 117.3636 51.7334 43.8267 174.7599 11 P 4.0762 0.0000 0.0000 64.7126 31.1439 178.0825 12 A 4.0018 8.6125 120.6126 55.0546 17.6289 179.6576 13 Q 3.7910 8.0220 116.5003 59.0749 28.7667 178.8588 14 A 4.0616 7.7829 121.2289 55.0282 18.4360 179.3446 15 R 3.8419 8.1021 117.2966 59.7602 30.2530 178.7098 16 I 3.6987 7.9521 119.6287 64.5698 37.1106 178.3467 17 E 4.0016 7.9836 118.3451 59.3517 29.2852 179.2901 18 A 4.0804 8.2577 120.8625 55.0765 18.2899 179.5750 19 E 3.9612 8.4458 117.6385 59.6609 29.4216 179.6857 20 S 4.1203 7.9931 115.1316 61.3466 62.8366 176.7600 21 V 3.5691 7.7368 121.0112 66.0426 31.2836 178.0823 22 K 4.1323 8.0886 119.0339 59.4547 32.1634 178.5523 23 A 4.0319 8.3387 121.3876 55.2864 18.2043 179.7408 24 I 3.7896 8.1865 118.7033 64.6001 37.0435 178.6817 25 Q 4.0256 8.0833 119.0157 58.9373 28.0689 178.6604 26 E 4.0164 8.4265 119.7272 59.4199 29.5410 179.5925 27 K 3.8918 8.1217 118.2362 59.7402 31.9038 179.3996 28 M 4.4368 8.2721 118.1230 58.1881 31.9145 178.3053 29 A 4.1527 7.9775 119.5580 54.1590 18.6035 178.5583 30 A 4.6025 7.3567 117.8128 51.7128 19.9139 176.2293 31 N 4.6708 7.7698 115.5831 52.1786 39.4283 173.5590 32 D 4.7330 8.5862 124.7796 54.3407 41.3651 177.0224 33 D 4.4220 8.6247 120.8842 54.1995 42.3718 176.1448 34 L 3.9377 8.7128 128.6265 59.0520 42.1890 178.9566 35 H 4.1362 8.3261 115.2767 58.6842 28.6471 177.5441 36 F 4.1894 8.6423 122.7038 61.3442 39.2846 177.1841 37 Q 3.9262 8.4842 117.9900 58.9215 28.4005 179.0885 38 I 3.6237 7.8387 120.6765 64.5510 37.1449 178.7201 39 R 3.8164 7.9470 118.5751 59.1145 29.8074 179.0492 40 A 3.6937 7.9929 120.8590 55.2768 18.2641 179.8731 41 T 3.7402 7.7651 114.2201 66.5909 68.3817 177.0616 42 V 3.5237 7.8314 120.2142 66.2608 31.5906 178.2458 43 I 4.0030 7.8861 121.0505 63.5619 36.8448 178.3294 44 K 3.9144 8.4364 121.1011 59.3038 31.9970 178.3998 45 E 3.8924 8.1558 119.6432 59.4329 29.4529 178.9250 46 Q 3.9666 7.8073 118.0209 59.1536 28.8042 179.0434 47 R 4.0457 8.2007 118.8903 59.0293 30.0244 178.9705 48 A 4.0059 8.2694 120.9374 55.0827 18.3396 179.2796 49 E 3.8757 8.1688 117.8398 59.4074 29.6052 179.1114 50 L 3.9411 8.0124 118.9108 57.5509 41.6459 179.2604 51 A 4.0579 8.1844 120.8075 55.1396 18.2893 179.8354 52 K 3.9051 8.2405 117.0542 59.7842 32.1359 178.9466 53 H 4.1375 8.3494 118.4919 59.7721 29.8980 176.9367 54 H 4.2238 8.3587 118.0769 58.9174 28.5114 177.8657 55 L 4.1064 8.0581 120.7982 57.9000 41.4919 179.1669 56 D 4.5755 8.5875 119.3460 57.4666 40.7564 179.1170 57 V 3.7522 8.0463 118.7281 65.9410 31.4832 178.0780 58 L 3.9766 7.9744 118.3418 57.5377 41.2667 179.3461 59 W 4.6641 8.4666 127.2967 60.7274 30.8383 177.7799 60 S 4.0129 8.8915 113.1487 60.3158 62.8673 175.0683 61 D 4.7383 8.3901 120.7815 56.0213 41.9133 177.3652 62 Y 3.3775 7.6051 118.2256 60.1293 39.0434 175.7351 63 F 4.0323 7.9865 118.3950 57.4174 39.5030 175.2923 64 K 4.5241 8.0462 124.0180 53.7258 35.0096 175.3088 65 P 4.4413 0.0000 0.0000 65.9296 31.0275 177.1103 66 P 4.2663 0.0000 0.0000 65.8042 31.0934 178.4119 67 H 4.2959 7.9866 115.1555 58.9867 28.5830 177.9142 68 F 4.2704 7.7719 118.8607 60.1785 38.5162 177.5905 69 E 4.1235 7.8459 117.6035 59.5626 29.4476 179.1381 70 S 4.1291 8.1639 114.2042 60.1029 64.2056 174.3016 71 Y 4.7122 7.9341 119.0890 54.5637 37.9105 173.8166 72 P 4.4274 0.0000 0.0000 64.4159 32.0730 177.2330 73 E 4.4495 8.1562 115.3298 56.3906 30.2212 177.6076 74 L 3.9389 8.3923 122.7424 58.4107 42.0033 178.3993 75 H 4.3936 8.3624 115.5987 59.4743 28.7704 177.6784 76 T 3.7988 7.9479 116.8063 66.3758 68.2505 176.1899 77 L 3.9247 8.1828 122.4823 58.2724 42.1528 179.2488 78 V 3.5257 7.9317 118.1677 65.9540 31.4814 177.3900 79 N 4.0255 8.0985 116.8273 56.7310 38.6627 176.7047 80 E 3.7078 8.4383 120.0756 58.9488 29.4257 179.1762 81 A 3.9038 7.6234 120.9181 55.3574 18.5305 180.1955 82 V 3.5877 7.7787 110.9216 64.4396 31.5722 179.0609 83 K 3.9812 8.0853 118.1441 59.2442 31.8229 179.2881 84 A 4.1080 8.1977 121.4136 54.9945 18.2493 179.7045 85 L 4.0303 7.8511 117.6960 57.9398 41.4603 179.7642 86 S 4.1195 7.9182 114.2744 61.4882 62.8961 176.2513 87 A 4.1184 8.2181 123.3314 55.0639 18.2175 179.5607 88 A 4.0456 7.9235 120.7040 54.6133 18.1704 179.9789 89 K 3.9440 7.8206 116.2566 59.2386 32.1816 178.3857 90 A 4.4766 7.3067 118.1557 51.2407 19.0033 176.6494 91 S 4.6589 7.3092 112.1111 57.3413 65.6100 173.8990 92 T 4.3569 8.3282 113.2614 61.2799 69.6333 173.8380 93 D 4.5170 8.2753 124.2821 53.2493 41.3437 174.9455 94 P 4.4507 0.0000 0.0000 65.5631 31.2408 178.3196 95 A 4.0208 8.7542 120.5703 55.1867 17.8182 179.7396 96 T 4.0008 8.2539 108.7773 64.8719 68.9639 177.2560 97 G 3.7709 7.9847 109.5038 47.0366 0.0000 175.3515 98 Q 3.9880 8.3174 122.0372 58.7200 29.0929 178.0910 99 K 3.7640 8.2152 120.5892 59.3706 32.1358 178.6660 100 A 4.1700 7.8754 121.0066 55.2458 18.3622 179.5800 101 L 3.9690 7.8487 117.4127 58.0090 41.5090 179.5696 102 D 4.3266 8.2857 119.1689 57.5271 40.7590 178.4300 103 Y 4.2748 7.7858 117.1133 61.2176 37.8953 178.5334 104 I 3.7846 8.1894 120.6648 64.4759 37.3295 178.2970 105 A 4.1793 8.2195 121.4933 55.2428 18.0601 179.7826 106 Q 4.0235 7.9380 116.5306 59.2087 28.7503 178.9494 107 I 3.7953 7.9909 120.9123 64.2812 37.1503 177.8546 108 D 4.3788 8.6940 119.3656 57.4046 41.0234 178.5821 109 K 4.1772 8.0827 118.4033 59.7042 32.1158 179.4725 110 I 3.4716 7.6315 119.8133 63.9490 36.9469 178.0273 111 F 4.0862 8.6312 122.0162 61.4502 39.3038 177.4597 112 W 4.1565 8.3105 117.9849 59.4087 28.8738 178.5593 113 E 4.0807 8.0449 118.9376 59.6125 28.7172 179.3807 114 T 3.9726 7.7125 108.6568 64.6653 68.8009 176.4618 115 K 4.0111 7.4375 120.6540 59.0330 32.1069 178.9709 116 K 4.2212 7.9374 116.8851 58.1808 32.2239 177.4388 117 A 4.3269 7.6115 125.0356 52.5250 18.4769 176.8865 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 4.53 0.00 3.18 3.11 0.00 5.47 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 2 C 7.90 4.10 0.00 3.12 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 3 D 8.38 4.57 0.00 2.87 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 4 L 8.09 4.08 0.00 1.62 1.77 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.30 2.10 0.00 3.81 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 2.00 1.98 0.00 6 C 8.51 4.40 0.00 3.05 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 7 G 8.37 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 8 V 7.29 4.30 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 0.74 0.00 0.00 0.89 0.00 0.00 9 Y 8.05 4.63 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.93 3.69 0.00 2.57 2.37 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 11 P 0.00 4.08 0.00 2.21 1.87 0.00 2.98 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 1.29 0.98 0.00 12 A 8.61 4.00 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 13 Q 8.02 3.79 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 14 A 7.78 4.06 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 15 R 8.10 3.84 0.00 1.90 2.09 0.00 3.13 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 1.74 1.70 0.00 16 I 7.95 3.70 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 1.52 1.12 0.92 0.00 0.00 17 E 7.98 4.00 0.00 2.19 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 0.00 2.56 2.57 0.00 18 A 8.26 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 19 E 8.45 3.96 0.00 2.22 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 2.61 0.00 20 S 7.99 4.12 0.00 4.10 3.92 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 21 V 7.74 3.57 2.30 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.09 4.13 0.00 1.90 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.34 4.03 1.41 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 24 I 8.19 3.79 2.02 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 1.54 0.78 0.90 0.00 0.00 25 Q 8.08 4.03 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 26 E 8.43 4.02 0.00 2.18 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 2.55 2.51 0.00 27 K 8.12 3.89 0.00 2.25 2.11 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.73 7.81 28 M 8.27 4.44 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.48 0.00 29 A 7.98 4.15 1.41 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 30 A 7.36 4.60 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 31 N 7.77 4.67 0.00 2.37 2.36 0.00 0.00 7.23 8.47 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 32 D 8.59 4.73 0.00 2.73 2.71 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 33 D 8.62 4.42 0.00 2.87 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 34 L 8.71 3.94 0.00 1.79 1.66 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.14 0.00 3.49 3.40 0.00 5.87 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 36 F 8.64 4.19 0.00 3.18 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 37 Q 8.48 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 38 I 7.84 3.62 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.87 0.00 0.00 39 R 7.95 3.82 0.00 1.72 1.90 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 40 A 7.99 3.69 0.77 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 0.00 0.00 41 T 7.77 3.74 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 1.17 0.00 0.00 42 V 7.83 3.52 2.17 0.00 0.00 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 0.97 0.00 0.00 43 I 7.89 4.00 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.90 0.00 0.00 44 K 8.44 3.91 0.00 1.80 1.95 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.16 3.89 0.00 2.30 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 0.00 2.29 2.39 0.00 46 Q 7.81 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 47 R 8.20 4.05 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 A 8.27 4.01 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 49 E 8.17 3.88 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 50 L 8.01 3.94 0.00 1.93 1.69 0.93 0.80 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 51 A 8.18 4.06 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 52 K 8.24 3.91 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.66 7.81 53 H 8.35 4.14 0.00 3.21 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 8.36 4.22 0.00 3.36 3.31 0.00 5.67 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 55 L 8.06 4.11 0.00 1.91 1.77 0.95 1.18 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 56 D 8.59 4.58 0.00 2.90 2.87 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 57 V 8.05 3.75 2.31 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 1.20 0.00 0.00 0.87 0.00 0.00 58 L 7.97 3.98 0.00 2.10 1.70 0.77 0.26 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 59 W 8.47 4.66 0.00 3.48 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 60 S 8.89 4.01 0.00 4.03 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 61 D 8.39 4.74 0.00 3.02 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 62 Y 7.61 3.38 0.00 1.43 2.47 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 63 F 7.99 4.03 0.00 2.93 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 0.00 0.00 0.00 64 K 8.05 4.52 0.00 1.39 1.53 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.13 7.81 65 P 0.00 4.44 0.00 2.14 2.17 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 66 P 0.00 4.27 0.00 2.00 2.03 0.00 3.36 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 2.00 2.12 0.00 67 H 7.99 4.30 0.00 2.94 3.15 0.00 5.64 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 68 F 7.77 4.27 0.00 3.22 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 69 E 7.85 4.12 0.00 2.16 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 2.59 2.50 0.00 70 S 8.16 4.13 0.00 3.60 3.21 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 71 Y 7.93 4.71 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.07 2.18 0.00 3.74 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 73 E 8.16 4.45 0.00 2.06 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 2.40 2.28 0.00 74 L 8.39 3.94 0.00 1.80 1.84 0.60 -0.30 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 75 H 8.36 4.39 0.00 3.26 3.35 0.00 5.68 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 76 T 7.95 3.80 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 77 L 8.18 3.92 0.00 1.85 1.85 1.06 1.11 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 7.93 3.53 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 0.93 0.00 0.00 1.18 0.00 0.00 79 N 8.10 4.03 0.00 2.71 2.75 0.00 0.00 7.26 7.17 0.00 0.00 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 E 8.44 3.71 0.00 1.31 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 2.14 2.40 0.00 81 A 7.62 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 82 V 7.78 3.59 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 0.83 0.00 0.00 0.84 0.00 0.00 83 K 8.09 3.98 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 A 8.20 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.85 4.03 0.00 1.92 1.73 0.96 0.90 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 86 S 7.92 4.12 0.00 4.01 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 87 A 8.22 4.12 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 88 A 7.92 4.05 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 89 K 7.82 3.94 0.00 1.98 2.02 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 A 7.31 4.48 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 91 S 7.31 4.66 0.00 3.82 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 0.00 92 T 8.33 4.36 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 1.21 0.00 0.00 93 D 8.28 4.52 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.45 0.00 2.20 2.21 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 95 A 8.75 4.02 1.41 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 96 T 8.25 4.00 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 7.98 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 0.00 0.00 0.00 0.00 98 Q 8.32 3.99 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.22 3.76 0.00 1.95 1.97 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.30 7.81 100 A 7.88 4.17 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 0.00 101 L 7.85 3.97 0.00 1.94 1.74 0.98 1.09 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 0.00 102 D 8.29 4.33 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.79 4.27 0.00 3.22 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 0.00 104 I 8.19 3.78 2.07 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 1.51 0.77 0.94 0.00 0.00 105 A 8.22 4.18 1.41 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 0.00 106 Q 7.94 4.02 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 107 I 7.99 3.80 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 1.10 0.00 0.00 108 D 8.69 4.38 0.00 2.90 2.98 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 0.00 109 K 8.08 4.18 0.00 2.10 1.91 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.77 7.81 110 I 7.63 3.47 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.95 0.06 0.00 0.00 111 F 8.63 4.09 0.00 3.04 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 0.00 112 W 8.31 4.16 0.00 3.54 3.24 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 0.00 113 E 8.04 4.08 0.00 2.09 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 0.00 2.40 2.54 0.00 114 T 7.71 3.97 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 1.26 0.00 0.00 115 K 7.44 4.01 0.00 1.97 1.92 0.00 1.45 0.00 0.00 0.86 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.36 0.34 7.81 116 K 7.94 4.22 0.00 1.95 1.91 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.80 7.81 117 A 7.61 4.33 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