NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4747 8.3044 118.2006 54.4771 33.1505 174.3584 2 Q 4.3456 7.9603 120.6887 53.5751 31.7680 172.2882 3 L 4.7777 9.5085 130.1085 53.6374 44.1557 174.8621 4 R 4.8790 8.4807 125.9035 54.6651 32.3867 175.5403 5 F 5.5236 8.4150 116.2534 55.3647 41.5666 173.4307 6 A 4.5515 8.8876 120.4075 50.1927 22.7804 175.3648 7 R 4.8257 8.5500 119.3716 55.9634 30.8015 176.7138 8 L 4.6048 9.1167 123.3859 55.3914 42.9030 176.1026 9 S 4.5526 7.5328 112.7766 57.1634 65.3929 174.9975 10 E 4.0532 8.5220 117.7085 58.5454 29.4161 177.3089 11 H 4.4315 7.6791 115.4250 56.4211 29.3288 175.5709 12 A 4.2496 7.2468 121.8637 52.0467 18.8669 176.7974 13 T 4.4168 8.0422 116.3029 60.9703 71.1488 174.4010 14 A 3.6817 8.4497 128.9041 51.5511 18.9458 175.4249 15 P 5.1980 0.0000 0.0000 62.6880 32.1727 175.7461 16 T 4.9423 8.8632 112.1231 59.9674 72.8054 172.1581 17 R 4.4318 8.4158 122.4508 54.3966 31.0652 176.3371 18 G 3.6767 8.7886 115.9244 48.1294 0.0000 172.6923 19 S 4.5353 7.4700 112.3603 56.5214 66.2154 174.5931 20 A 3.9939 8.6759 122.6889 54.8500 18.0597 179.1024 21 R 4.5785 7.5242 113.1649 55.4762 31.0217 176.1915 22 A 4.0268 7.4126 120.6043 51.9095 18.9768 178.8574 23 A 4.0862 8.6804 125.5139 54.3174 18.8025 177.7476 24 G 4.3090 7.5125 100.2823 44.6083 0.0000 171.8969 25 Y 4.6870 8.6554 118.7115 56.4064 39.9052 175.1925 26 D 4.7659 9.4377 124.8748 54.6136 42.2098 175.2953 27 L 5.0028 8.6858 123.0321 53.1736 44.6600 175.0053 28 Y 5.2322 8.4092 119.4598 55.9447 41.5893 175.0282 29 S 4.5436 9.1608 118.4871 58.6925 63.3177 174.2937 30 A 4.6803 8.8402 127.4729 52.7302 19.5580 175.9255 31 Y 4.7094 7.8245 111.5955 56.2105 42.6867 174.2317 32 D 5.0284 8.4014 120.0737 53.6161 42.3354 176.1242 33 Y 4.8628 9.3225 120.4706 56.5536 42.5681 174.3226 34 T 4.9489 8.7593 119.7085 62.0781 70.7480 173.8337 35 I 4.4055 8.7337 128.9233 58.9246 38.7854 174.1319 36 P 4.7707 0.0000 0.0000 61.4591 32.6608 174.6546 37 P 4.3034 0.0000 0.0000 63.6442 32.5007 176.7822 38 M 3.4728 8.4969 121.7793 56.6964 30.1470 176.0689 39 E 4.9382 7.4233 114.0035 54.3820 34.4129 174.8380 40 K 5.3073 8.6587 118.8784 55.5452 35.9082 175.4494 41 A 4.6274 8.6756 121.1594 50.6008 23.1689 175.6454 42 V 4.2519 8.2212 120.6660 61.6505 32.5630 175.3905 43 V 3.4931 8.7840 130.1099 61.3324 32.8895 175.0518 44 K 4.7818 9.0105 128.6015 56.5563 32.8001 177.9302 45 T 4.4468 8.5419 113.8259 60.2280 70.3824 174.6290 46 D 4.6475 8.4240 121.3757 55.4375 39.3070 172.7491 47 I 5.2953 7.5403 110.6485 59.1160 41.3061 174.0712 48 Q 5.3795 9.1645 121.6470 53.6853 31.2110 174.3864 49 I 5.2383 8.4250 113.6335 59.1351 41.1896 174.7217 50 A 4.6759 9.0891 125.5138 50.0454 20.8814 175.7590 51 L 4.4659 8.5776 121.7030 54.5034 42.5807 175.8796 52 P 4.6245 0.0000 0.0000 62.6118 32.1202 176.2674 53 S 4.5051 7.9745 115.5489 59.4473 63.8402 174.3492 54 G 4.1138 10.6470 111.3275 45.2606 0.0000 172.0737 55 C 5.4037 7.8703 112.4509 56.8725 33.1239 172.1551 56 Y 4.9420 8.8433 117.3750 55.1545 41.5980 174.5585 57 G 4.2157 8.9386 107.6275 44.9560 0.0000 172.6641 58 R 5.0546 8.5328 127.6097 54.7367 31.8337 175.2886 59 V 4.3412 8.7125 127.8174 62.5411 32.0176 174.9823 60 A 4.8927 8.9651 129.8528 49.2656 22.4566 173.4914 61 P 4.6341 0.0000 0.0000 62.3257 32.0717 176.8907 62 R 4.2010 8.4297 121.6845 56.0035 31.2168 178.0680 63 S 4.2708 8.7068 116.8159 61.3592 63.3527 176.9499 64 G 3.5915 7.9846 108.9798 47.5310 0.0000 175.3908 65 L 4.0385 7.9675 121.0173 57.2923 41.4929 179.4368 66 A 4.2205 7.9830 121.1799 54.7947 18.2113 179.6479 67 A 3.8498 7.9794 118.0447 54.7070 18.4858 179.0873 68 K 4.1180 8.1170 117.0171 58.0909 32.8119 176.9935 69 H 4.8579 7.7885 112.3415 54.5402 30.2012 173.3587 70 F 4.0471 7.8784 121.2766 59.3622 38.1320 173.9984 71 I 4.7267 7.6116 118.9135 59.9598 39.1395 174.9392 72 D 4.9438 8.9159 124.8177 52.5307 45.5779 173.8662 73 V 4.4270 8.3399 121.3921 61.0471 33.3790 175.5346 74 G 3.5764 7.8958 115.7544 44.0506 0.0000 175.9939 75 A 3.5703 9.9810 124.9836 51.9471 17.9763 179.1963 76 G 3.8783 9.2143 111.6392 46.9277 0.0000 172.5938 77 V 4.4681 7.4710 119.7544 61.8961 32.1991 175.2371 78 I 4.2855 9.0203 131.0736 59.7475 38.5645 175.5591 79 D 4.7651 8.6396 127.5660 53.9903 41.5350 177.1728 80 E 3.9922 9.3432 122.9780 59.3983 29.6099 178.0376 81 D 4.8095 7.9818 114.5358 53.2533 40.1397 175.5781 82 Y 4.3061 7.9767 122.7178 58.1630 39.0663 175.3289 83 R 4.3549 8.0170 124.1925 55.6723 31.3717 175.7523 84 G 3.5123 5.3800 108.7078 43.7930 0.0000 172.3878 85 N 4.6097 8.4908 118.0468 53.9259 39.5705 174.6688 86 V 4.0576 9.0021 127.0701 62.7115 32.4823 174.7920 87 G 4.3247 8.7586 115.5620 44.7199 0.0000 172.3064 88 V 4.3340 8.7796 123.8040 60.7957 34.0752 174.6499 89 V 4.2893 8.2098 128.3107 61.8529 32.5226 174.0440 90 L 4.7622 8.5246 129.1591 53.1977 43.9024 175.7111 91 F 5.1145 8.8802 122.7553 55.7864 41.5523 174.3192 92 N 4.8432 8.9207 123.7328 52.1919 39.2623 174.6292 93 F 4.4600 8.2926 123.7549 57.5933 39.6026 176.4036 94 G 4.0471 8.0310 107.1386 45.7805 0.0000 174.1443 95 K 4.4157 8.7707 117.6515 56.9325 32.7343 176.7789 96 E 4.8761 7.7319 117.3042 53.8127 32.3826 176.0135 97 K 4.3262 8.7048 120.6746 56.9963 33.1316 176.0481 98 F 4.9077 9.4443 125.9769 56.5280 41.8952 173.7632 99 E 4.7816 8.0077 125.5146 54.7940 31.0849 175.3158 100 V 4.1248 8.8365 125.8850 61.3902 33.3102 174.7593 101 K 4.9886 9.0916 127.8514 54.1781 34.6094 176.1409 102 K 3.8293 8.3197 123.9937 58.7098 32.2394 177.1083 103 G 4.0723 9.3150 115.4150 44.9890 0.0000 173.1900 104 D 4.6528 8.2158 120.6040 54.1860 42.2246 175.9516 105 R 4.2761 8.6032 122.1921 56.0358 30.0370 176.1476 106 I 4.5543 8.1844 116.7764 60.6521 39.6667 174.6175 107 A 4.5426 7.2927 123.2937 51.5984 22.6336 174.4706 108 Q 4.8985 8.8080 115.4953 54.5987 32.7533 173.9922 109 L 5.1216 9.1008 123.0374 53.5237 44.5742 174.9242 110 I 4.6551 8.5576 127.2820 59.8379 40.0238 175.0523 111 C 4.6159 8.6691 124.7639 58.8400 27.7767 171.7152 112 E 4.2349 8.4570 123.6668 55.2889 30.4608 176.1332 113 R 4.7736 8.6083 124.7184 56.1606 30.9190 175.8224 114 I 4.9687 8.4524 116.6475 59.3584 41.4017 173.5580 115 F 4.8665 8.3486 116.0712 55.3783 40.9044 174.7386 116 Y 4.5721 8.2403 118.5454 55.2682 37.6142 173.7679 117 P 4.6229 0.0000 0.0000 61.9600 32.7301 177.2713 118 E 4.1918 8.5329 119.4799 56.3467 30.1943 176.1636 119 I 4.2829 8.0033 121.2963 59.5678 39.4086 174.7174 120 E 4.5250 8.4131 126.5630 54.2244 31.8865 174.2731 121 E 4.2951 8.8006 127.4562 55.4694 30.5166 175.5804 122 V 4.5915 8.0122 118.0169 59.5515 35.4655 175.7054 123 Q 4.1497 8.8933 119.5891 57.8949 29.2828 176.6812 124 A 4.8260 8.0343 119.2601 49.8492 21.8791 176.9653 125 L 4.1143 8.6076 120.5167 57.0544 41.8962 177.8517 126 D 4.8197 7.8658 116.6306 52.9374 39.6978 176.0870 127 D 4.5195 7.9785 125.5157 55.2533 40.7054 176.1924 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 8.30 4.47 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 Q 7.96 4.35 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 3 L 9.51 4.78 0.00 1.64 1.46 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.48 4.88 0.00 1.77 1.78 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 5 F 8.42 5.52 0.00 3.07 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 6 A 8.89 4.55 1.20 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 0.00 0.00 0.00 0.00 0.00 7 R 8.55 4.83 0.00 1.73 2.08 0.00 3.23 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 8 L 9.12 4.60 0.00 1.62 1.75 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.53 4.55 0.00 4.00 4.03 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 10 E 8.52 4.05 0.00 1.99 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 1.74 2.08 0.00 11 H 7.68 4.43 0.00 2.86 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.25 4.25 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 T 8.04 4.42 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 0.31 0.00 0.00 14 A 8.45 3.68 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 15 P 0.00 5.20 0.00 1.66 2.06 0.00 2.38 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 16 T 8.86 4.94 4.35 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 1.36 0.00 0.00 17 R 8.42 4.43 0.00 1.42 1.64 0.00 2.97 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.00 18 G 8.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.47 4.54 0.00 3.92 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 20 A 8.68 3.99 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 7.52 4.58 0.00 1.75 1.89 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 22 A 7.41 4.03 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 23 A 8.68 4.09 1.25 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 0.00 0.00 24 G 7.51 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 0.00 0.00 0.00 0.00 25 Y 8.66 4.69 0.00 2.96 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 26 D 9.44 4.77 0.00 2.48 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 0.00 0.00 0.00 27 L 8.69 5.00 0.00 1.51 1.54 0.92 0.85 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 28 Y 8.41 5.23 0.00 2.82 2.83 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 29 S 9.16 4.54 0.00 4.04 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 30 A 8.84 4.68 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 31 Y 7.82 4.71 0.00 2.46 2.42 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 32 D 8.40 5.03 0.00 2.45 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 33 Y 9.32 4.86 0.00 2.80 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 34 T 8.76 4.95 4.27 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 1.23 0.00 0.00 35 I 8.73 4.41 2.01 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 1.29 0.74 0.93 0.00 0.00 36 P 0.00 4.77 0.00 1.94 2.01 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 37 P 0.00 4.30 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 38 M 8.50 3.47 0.00 2.15 2.12 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 2.52 2.61 0.00 39 E 7.42 4.94 0.00 2.11 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 2.19 2.35 0.00 40 K 8.66 5.31 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 41 A 8.68 4.63 1.10 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 0.00 0.00 42 V 8.22 4.25 2.04 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 0.77 0.00 0.00 0.91 0.00 0.00 43 V 8.78 3.49 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 0.89 0.00 0.00 0.51 0.00 0.00 44 K 9.01 4.78 0.00 2.17 1.98 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 45 T 8.54 4.45 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 1.36 0.00 0.00 46 D 8.42 4.65 0.00 3.05 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 47 I 7.54 5.30 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 1.01 0.00 0.00 48 Q 9.16 5.38 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 49 I 8.43 5.24 1.93 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 1.39 0.84 0.97 0.00 0.00 50 A 9.09 4.68 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 51 L 8.58 4.47 0.00 1.63 1.68 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 2.11 2.09 0.00 3.80 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 2.03 2.01 0.00 53 S 7.97 4.51 0.00 4.08 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 54 G 10.65 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 0.00 0.00 0.00 0.00 55 C 7.87 5.40 0.00 3.02 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 56 Y 8.84 4.94 0.00 3.30 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 57 G 8.94 4.22 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 0.00 0.00 0.00 58 R 8.53 5.05 0.00 1.54 1.64 0.00 3.15 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 59 V 8.71 4.34 2.04 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 0.73 0.00 0.00 0.92 0.00 0.00 60 A 8.97 4.89 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 61 P 0.00 4.63 0.00 1.94 1.98 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 62 R 8.43 4.20 0.00 1.82 1.82 0.00 3.19 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 63 S 8.71 4.27 0.00 4.03 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 64 G 7.98 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.04 0.00 1.67 1.65 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.98 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 67 A 7.98 3.85 1.29 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 0.00 0.00 0.00 68 K 8.12 4.12 0.00 1.71 1.65 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.38 7.81 69 H 7.79 4.86 0.00 3.22 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.88 4.05 0.00 3.19 3.07 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 71 I 7.61 4.73 1.67 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.20 0.66 0.00 0.00 72 D 8.92 4.94 0.00 3.13 2.83 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 73 V 8.34 4.43 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 0.77 0.00 0.00 0.83 0.00 0.00 74 G 7.90 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 75 A 9.98 3.57 0.95 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 0.00 0.00 76 G 9.21 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 77 V 7.47 4.47 2.04 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 0.64 0.00 0.00 0.90 0.00 0.00 78 I 9.02 4.29 2.01 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 1.44 0.79 1.05 0.00 0.00 79 D 8.64 4.77 0.00 2.76 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 80 E 9.34 3.99 0.00 2.16 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 2.48 2.70 0.00 81 D 7.98 4.81 0.00 2.84 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 82 Y 7.98 4.31 0.00 2.92 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 83 R 8.02 4.35 0.00 1.64 1.74 0.00 3.38 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 84 G 5.38 3.51 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 0.00 0.00 0.00 85 N 8.49 4.61 0.00 2.82 2.86 0.00 0.00 6.85 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 86 V 9.00 4.06 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 0.91 0.00 0.00 1.15 0.00 0.00 87 G 8.76 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 0.00 0.00 0.00 0.00 88 V 8.78 4.33 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 0.84 0.00 0.00 0.91 0.00 0.00 89 V 8.21 4.29 1.98 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 0.83 0.00 0.00 0.85 0.00 0.00 90 L 8.52 4.76 0.00 1.52 1.46 0.96 0.89 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 91 F 8.88 5.11 0.00 2.49 1.61 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 0.00 0.00 0.00 0.00 92 N 8.92 4.84 0.00 2.73 2.74 0.00 0.00 6.79 7.33 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 93 F 8.29 4.46 0.00 1.80 1.81 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 94 G 8.03 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 95 K 8.77 4.42 0.00 1.81 1.90 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 96 E 7.73 4.88 0.00 1.91 1.89 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 2.26 2.35 0.00 97 K 8.70 4.33 0.00 1.67 1.79 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.48 7.81 98 F 9.44 4.91 0.00 2.97 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 99 E 8.01 4.78 0.00 1.68 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 100 V 8.84 4.12 2.32 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 1.06 0.00 0.00 1.11 0.00 0.00 101 K 9.09 4.99 0.00 2.11 1.68 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.37 7.81 102 K 8.32 3.83 0.00 1.68 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 103 G 9.32 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 0.00 0.00 0.00 0.00 104 D 8.22 4.65 0.00 2.80 2.65 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 0.00 105 R 8.60 4.28 0.00 1.60 1.74 0.00 3.00 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.87 0.00 106 I 8.18 4.55 1.89 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 1.21 0.68 1.02 0.00 0.00 107 A 7.29 4.54 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 0.00 108 Q 8.81 4.90 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 109 L 9.10 5.12 0.00 1.73 1.59 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.56 4.66 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.89 0.00 0.00 111 C 8.67 4.62 0.00 2.86 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 0.00 112 E 8.46 4.23 0.00 1.28 1.78 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 2.10 1.80 0.00 113 R 8.61 4.77 0.00 1.72 1.90 0.00 3.16 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 114 I 8.45 4.97 1.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.31 1.09 0.00 0.00 115 F 8.35 4.87 0.00 3.13 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 0.00 116 Y 8.24 4.57 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 0.00 117 P 0.00 4.62 0.00 2.19 2.17 0.00 3.52 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 118 E 8.53 4.19 0.00 2.01 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 2.34 2.34 0.00 119 I 8.00 4.28 1.87 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 1.30 0.80 0.91 0.00 0.00 120 E 8.41 4.52 0.00 1.92 1.78 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 2.18 2.27 0.00 121 E 8.80 4.30 0.00 1.97 1.83 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 2.27 2.32 0.00 122 V 8.01 4.59 2.35 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 0.82 0.00 0.00 0.94 0.00 0.00 123 Q 8.89 4.15 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 124 A 8.03 4.83 1.29 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 0.00 0.00 0.00 125 L 8.61 4.11 0.00 1.65 1.75 0.92 1.03 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 0.00 126 D 7.87 4.82 0.00 2.78 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 0.00 127 D 7.98 4.52 0.00 2.78 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