NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5131 8.3649 120.1950 53.7771 42.9644 175.4029 2 I 3.5049 8.2392 122.3991 61.0586 38.1424 173.7744 3 Q 4.5083 10.1996 129.5963 55.2797 31.5278 173.8062 4 M 5.1347 8.6909 125.2895 53.8650 34.7097 175.1286 5 T 4.5822 9.2699 120.8853 61.9967 70.9878 172.8754 6 Q 5.3352 8.7655 127.7068 54.5418 31.6052 174.5331 7 S 4.7481 8.9064 118.7961 56.5421 66.5149 172.3762 8 P 4.9612 0.0000 0.0000 62.3338 32.8568 175.9750 9 S 4.8401 8.6222 113.6885 61.0297 64.0820 174.8718 10 S 5.2712 7.8079 111.1164 57.3158 65.9143 173.2357 11 L 4.6151 8.7975 119.8537 55.2240 43.9392 173.8885 12 S 5.2777 8.8133 114.7096 55.8750 66.4862 173.0992 13 A 4.7064 8.3501 123.5462 51.0743 23.1890 174.8419 14 S 4.8926 9.2226 115.2028 56.8442 65.4791 175.0888 15 V 3.9362 8.1718 115.6550 63.0876 31.5033 176.1311 16 G 4.5680 9.1829 113.3187 45.2992 0.0000 173.6369 17 D 4.4624 8.2239 119.4871 54.1526 42.0585 175.9533 18 R 4.8832 8.2725 121.2367 55.3551 31.4475 175.7052 19 V 4.4722 8.8951 124.6207 61.4015 34.9697 174.1960 20 T 5.0799 8.5062 123.0507 61.8567 71.8128 173.2815 21 I 4.9187 8.9301 126.1388 59.7103 41.7203 174.5000 22 T 5.4665 9.1595 114.4789 60.3702 72.5990 172.0370 23 C 5.7602 10.0966 119.7375 55.5285 41.3583 173.0473 24 Q 5.3179 9.2894 121.4648 54.1786 31.5334 174.3883 25 A 5.2124 9.1660 126.2054 50.4934 21.1987 177.6763 26 S 4.6174 8.8897 114.7488 59.2656 63.4660 174.0371 27 Q 4.4836 7.6716 115.8610 54.9621 31.3404 173.3078 28 D 4.4745 8.7039 119.4892 55.2971 41.2363 176.2251 29 I 4.4539 8.6723 119.9975 59.9301 37.8552 176.0314 30 S 3.5945 9.0625 114.4965 60.1952 60.1718 172.5990 31 D 4.5165 8.2380 115.7897 55.3381 39.6624 174.6911 32 Y 4.3255 7.3334 119.5139 56.8190 36.2385 173.8764 33 L 5.0525 7.3407 122.7793 52.9616 46.1893 175.2212 34 I 4.8281 8.2742 125.2472 58.8517 41.6297 173.7407 35 W 4.9700 8.8242 127.3807 55.0648 31.7413 174.5234 36 Y 5.3731 9.3324 121.8539 56.2216 41.4650 174.2671 37 Q 4.3680 9.0617 122.3725 54.2546 32.4119 173.9987 38 Q 4.6868 8.9850 127.6818 54.0181 31.3282 174.7608 39 K 4.5142 8.3951 125.7890 55.2299 33.9600 176.4855 40 L 3.9779 8.5301 123.5849 56.9919 42.1367 177.2671 41 G 3.9237 8.9745 112.5096 45.9137 0.0000 172.6315 42 K 4.5934 7.7137 117.2591 53.7908 35.5694 175.5997 43 A 4.4498 8.1804 121.8911 50.7004 19.3997 175.7773 44 P 4.5931 0.0000 0.0000 62.9438 32.5102 175.1976 45 N 5.0953 9.1968 120.1459 51.5376 41.9868 173.1037 46 L 4.3342 8.9608 128.7194 55.6234 42.4329 175.6000 47 L 4.6509 9.2178 126.1049 55.9538 44.1628 176.6204 48 I 5.2122 7.6481 118.2133 59.5769 41.6462 174.0450 49 Y 4.9730 7.7343 122.7039 55.1538 41.9502 174.6605 50 D 4.5852 9.8519 115.4388 54.3751 40.3539 174.1814 51 A 4.3388 8.9781 125.1621 51.9448 18.2743 179.8363 52 S 4.7691 7.6240 103.7555 56.6380 65.1254 173.3390 53 T 4.2169 7.5685 117.6474 60.5419 67.9299 173.8987 54 L 4.5207 8.4359 129.3874 55.1077 42.3685 177.0229 55 E 4.6586 9.2519 124.4080 55.6278 31.3993 175.9367 56 T 4.0507 8.4056 114.3654 62.6530 69.2701 174.4436 57 G 4.0885 9.0470 113.6204 45.3955 0.0000 173.8425 58 V 3.9681 7.3294 120.2643 61.4883 32.1155 174.1307 59 P 4.4993 0.0000 0.0000 63.1586 31.9963 176.4970 60 S 4.4725 8.4582 114.8024 59.5349 63.3727 176.0095 61 R 4.1523 7.5855 115.8941 56.1902 29.6206 175.2722 62 F 5.2593 7.3002 117.4093 56.0829 40.6926 175.2155 63 S 4.6714 8.4653 116.9767 57.5134 66.8939 173.2650 64 G 4.6336 8.4365 106.6607 45.2243 0.0000 172.1424 65 S 4.7828 9.1935 117.7110 56.7268 66.9368 171.8946 66 G 3.8502 9.3922 105.0973 45.9198 0.0000 172.2378 67 S 4.5151 7.3239 110.7409 58.7901 67.3025 180.0441 68 G 4.4053 9.0096 113.8252 46.2466 0.0000 174.5669 69 T 4.7778 8.7740 114.8172 60.9696 72.1552 174.8357 70 E 5.1586 7.8144 122.7165 54.8868 32.3441 174.6622 71 Y 5.3477 9.4398 121.8819 56.5180 42.7568 174.3850 72 T 5.2474 9.2182 116.3317 60.3574 71.3786 172.1298 73 F 5.0194 9.1797 129.8043 56.5170 42.2403 174.0279 74 T 4.8376 8.1678 121.4184 61.6312 72.9997 173.1788 75 I 4.4013 8.3184 125.9599 59.3168 38.8640 176.2756 76 S 4.0288 8.7490 124.0294 60.8784 64.0899 174.5414 77 S 4.8551 7.4486 115.3740 54.9580 65.5480 172.6408 78 L 4.4519 8.6775 130.8433 55.1848 42.7798 175.7798 79 Q 4.8912 9.1640 125.6717 53.5098 31.4219 175.3344 80 P 4.2240 0.0000 0.0000 65.4067 31.5379 177.7906 81 E 4.4224 8.1499 113.6942 56.7789 29.8472 176.6086 82 D 4.8813 8.1888 119.6075 55.2140 41.6669 176.8189 83 I 3.8177 7.1917 119.0395 62.3349 37.5166 175.0863 84 A 4.3148 7.7240 125.4215 52.4741 24.6838 173.9888 85 T 4.9420 7.6023 112.8295 62.2720 71.2677 173.6040 86 Y 5.0541 8.9497 123.9864 56.6627 40.8823 174.4604 87 Y 5.5636 9.1665 119.3600 56.6188 42.9246 172.0003 88 C 4.5627 8.8007 116.7841 53.8541 46.1674 172.3775 89 Q 4.8647 7.9466 120.3986 54.6539 32.7412 173.0863 90 Q 4.9293 8.7725 124.5718 54.4668 31.0033 175.2753 91 Y 3.6270 8.0329 121.0347 56.6263 37.3499 176.3803 92 D 4.1174 8.9048 122.0403 57.4101 41.9703 175.7005 93 D 4.7885 7.8392 115.5992 52.6180 44.1748 174.4412 94 L 4.1557 8.3114 125.6899 53.6502 42.4523 175.1120 95 P 4.3083 0.0000 0.0000 62.3800 32.2446 175.5397 96 Y 4.8908 8.4509 119.3103 57.9831 38.4014 175.1525 97 T 4.8940 8.7590 114.2382 60.0598 71.9329 173.3154 98 F 5.2408 8.9877 121.6273 55.7421 41.7199 175.6136 99 G 4.0184 8.7694 110.2995 44.8781 0.0000 174.3925 100 Q 4.0285 8.5895 119.0822 57.0517 29.3090 176.9280 101 G 3.5764 8.5020 102.7211 46.0952 0.0000 173.0775 102 T 4.6941 8.2546 115.5347 61.5499 72.5606 173.1632 103 K 4.6958 9.2254 129.8067 55.5513 33.5150 175.6259 104 V 4.7643 8.9903 122.4659 60.0158 33.3880 175.3248 105 E 4.9460 9.2119 125.0089 54.6418 33.1931 174.7985 106 I 4.6585 8.0474 121.6182 59.3362 39.0521 175.7777 107 K 4.1667 9.4481 130.3038 56.3633 32.9189 177.0709 108 R 4.2351 8.4167 124.5375 56.4266 30.7012 175.4657 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 D 8.36 4.51 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 2 I 8.24 3.50 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.93 0.00 0.00 3 Q 10.20 4.51 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 4 M 8.69 5.13 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 5 T 9.27 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 1.27 0.00 0.00 6 Q 8.77 5.34 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 7 S 8.91 4.75 0.00 3.97 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 8 P 0.00 4.96 0.00 2.22 2.03 0.00 3.77 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 2.05 2.13 0.00 9 S 8.62 4.84 0.00 3.80 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 10 S 7.81 5.27 0.00 3.84 3.80 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 11 L 8.80 4.62 0.00 1.71 1.78 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.81 5.28 0.00 3.73 3.76 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 13 A 8.35 4.71 1.18 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 0.00 0.00 0.00 14 S 9.22 4.89 0.00 3.91 3.76 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 15 V 8.17 3.94 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 0.68 0.00 0.00 0.92 0.00 0.00 16 G 9.18 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.22 4.46 0.00 2.72 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 18 R 8.27 4.88 0.00 1.74 1.75 0.00 2.90 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 19 V 8.90 4.47 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 0.85 0.00 0.00 0.88 0.00 0.00 20 T 8.51 5.08 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 21 I 8.93 4.92 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.13 0.00 0.00 22 T 9.16 5.47 4.38 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 1.28 0.00 0.00 23 C 10.10 5.76 0.00 2.93 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 24 Q 9.29 5.32 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 25 A 9.17 5.21 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 26 S 8.89 4.62 0.00 3.92 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 27 Q 7.67 4.48 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 28 D 8.70 4.47 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.67 4.45 1.83 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 1.52 0.46 0.97 0.00 0.00 30 S 9.06 3.59 0.00 3.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.24 4.52 0.00 2.77 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 32 Y 7.33 4.33 0.00 2.71 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 33 L 7.34 5.05 0.00 0.99 0.83 0.33 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.27 4.83 1.57 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 1.09 1.02 0.47 0.00 0.00 35 W 8.82 4.97 0.00 3.06 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.33 5.37 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 37 Q 9.06 4.37 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 1.96 1.53 0.00 38 Q 8.98 4.69 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 39 K 8.40 4.51 0.00 1.75 1.71 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.41 7.81 40 L 8.53 3.98 0.00 1.59 1.61 0.93 1.04 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 41 G 8.97 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 0.00 0.00 0.00 42 K 7.71 4.59 0.00 1.86 1.69 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.55 7.81 43 A 8.18 4.45 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.59 0.00 1.59 1.94 0.00 3.56 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 45 N 9.20 5.10 0.00 2.83 2.84 0.00 0.00 6.99 6.32 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 46 L 8.96 4.33 0.00 1.84 1.62 0.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.22 4.65 0.00 1.63 1.65 0.66 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.65 5.21 2.15 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 1.09 0.00 0.00 49 Y 7.73 4.97 0.00 2.93 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 50 D 9.85 4.59 0.00 3.05 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 51 A 8.98 4.34 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 52 S 7.62 4.77 0.00 3.88 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 53 T 7.57 4.22 4.07 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 1.01 0.00 0.00 54 L 8.44 4.52 0.00 1.57 1.64 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.25 4.66 0.00 2.26 1.91 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 2.37 2.38 0.00 56 T 8.41 4.05 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 1.27 0.00 0.00 57 G 9.05 4.09 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 0.00 0.00 0.00 58 V 7.33 3.97 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 0.98 0.00 0.00 1.07 0.00 0.00 59 P 0.00 4.50 0.00 2.13 1.99 0.00 4.18 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 60 S 8.46 4.47 0.00 3.86 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 61 R 7.59 4.15 0.00 1.70 1.94 0.00 2.85 0.00 0.00 3.05 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.73 0.00 62 F 7.30 5.26 0.00 3.21 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 63 S 8.47 4.67 0.00 3.82 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 64 G 8.44 4.63 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 65 S 9.19 4.78 0.00 3.87 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 66 G 9.39 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 67 S 7.32 4.52 0.00 3.91 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 68 G 9.01 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 69 T 8.77 4.78 4.43 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 1.34 0.00 0.00 70 E 7.81 5.16 0.00 1.74 1.80 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 2.20 2.36 0.00 71 Y 9.44 5.35 0.00 3.10 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 72 T 9.22 5.25 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 73 F 9.18 5.02 0.00 1.51 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 74 T 8.17 4.84 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 1.11 0.00 0.00 75 I 8.32 4.40 1.66 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.32 0.59 0.00 0.00 76 S 8.75 4.03 0.00 3.77 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 77 S 7.45 4.86 0.00 3.76 3.58 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 78 L 8.68 4.45 0.00 1.90 1.64 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.16 4.89 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 80 P 0.00 4.22 0.00 2.19 2.13 0.00 3.60 0.00 0.00 3.82 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 81 E 8.15 4.42 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 82 D 8.19 4.88 0.00 2.96 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.19 3.82 1.93 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 1.29 0.53 0.96 0.00 0.00 84 A 7.72 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.60 4.94 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 0.75 0.00 0.00 86 Y 8.95 5.05 0.00 2.96 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 87 Y 9.17 5.56 0.00 3.21 3.15 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 88 C 8.80 4.56 0.00 1.67 1.18 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 0.00 89 Q 7.95 4.86 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 90 Q 8.77 4.93 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 91 Y 8.03 3.63 0.00 1.66 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 0.00 0.00 0.00 0.00 92 D 8.90 4.12 0.00 2.82 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 93 D 7.84 4.79 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.16 0.00 1.56 1.40 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.31 0.00 2.18 2.00 0.00 3.76 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 2.00 1.98 0.00 96 Y 8.45 4.89 0.00 2.90 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 T 8.76 4.89 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 1.29 0.00 0.00 98 F 8.99 5.24 0.00 2.74 3.03 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 0.00 0.00 0.00 99 G 8.77 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 0.00 100 Q 8.59 4.03 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 101 G 8.50 3.58 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 0.00 102 T 8.25 4.69 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 103 K 9.23 4.70 0.00 1.80 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 104 V 8.99 4.76 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 1.17 0.00 0.00 1.11 0.00 0.00 105 E 9.21 4.95 0.00 1.91 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 2.25 2.29 0.00 106 I 8.05 4.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.92 0.00 0.00 107 K 9.45 4.17 0.00 1.71 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 108 R 8.42 4.24 0.00 1.80 1.77 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00