NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9171 8.3049 118.3797 55.3433 33.0687 174.1084 2 I 4.4265 8.2034 120.5481 59.1305 40.1271 173.1747 3 I 4.5725 8.4006 127.2601 59.7886 40.1495 174.5957 4 S 4.2209 7.6069 121.2170 57.6526 66.0232 172.3011 5 S 4.9906 8.3554 110.9366 56.5253 65.2222 175.9295 6 L 3.2619 9.2668 127.2129 57.0318 41.4113 177.9483 7 T 4.2820 7.4797 111.5249 62.2121 66.4163 174.5359 8 N 4.6743 7.8258 119.1291 53.0200 39.2709 174.1763 9 P 4.6006 0.0000 0.0000 65.3449 31.7422 177.1358 10 N 5.0101 7.6889 114.1211 52.6553 39.2837 176.3365 11 F 4.4987 8.5002 114.6720 59.1014 38.2438 176.0066 12 K 4.0124 7.2447 120.2514 57.4940 32.3709 176.7579 13 V 3.7176 7.2106 119.3675 64.3578 31.4348 176.3469 14 G 4.0423 8.9527 115.3771 45.4739 0.0000 173.3332 15 L 4.2849 7.7309 120.2954 53.5760 42.3714 175.8925 16 P 4.4004 0.0000 0.0000 62.3453 33.2625 177.1950 17 K 3.8117 8.7615 122.4421 60.0416 31.9695 179.1840 18 V 3.6379 7.8169 117.5943 66.0417 31.3800 177.9033 19 I 3.6486 7.7514 118.7605 64.2158 37.0223 177.7607 20 A 4.0796 8.2475 121.9455 55.5005 18.1226 179.5347 21 E 3.9232 8.7258 117.0455 59.4920 29.5600 179.5158 22 V 3.6332 8.0407 118.5781 66.5925 31.6128 177.9448 23 C 3.9878 8.2512 116.2076 62.5969 27.6519 175.6727 24 D 4.4626 8.3552 120.1649 57.7643 40.8303 177.8632 25 Y 4.2891 8.2396 119.8075 60.9510 38.7644 178.3316 26 L 3.7167 8.0791 119.6715 57.5289 41.4830 178.5363 27 N 4.5344 7.6597 113.7251 54.7031 38.6380 176.4119 28 T 4.1797 7.5026 116.7111 63.3503 69.1062 174.3584 29 L 4.5255 6.6985 120.5021 52.9440 43.9973 176.5149 30 D 4.5979 8.0139 120.7017 52.4348 39.6315 176.4708 31 L 3.8695 8.0947 125.1596 57.3126 42.0202 179.0904 32 N 4.3512 8.2092 115.3904 55.1812 38.9485 174.9595 33 A 4.5606 7.8353 118.9770 52.0972 20.5224 176.9884 34 L 3.9376 7.2855 115.4810 55.1797 42.1466 177.3400 35 E 4.1779 8.6776 122.5960 55.8651 30.1691 176.6230 36 N 4.4188 8.6676 119.9113 54.5660 39.2755 173.6545 37 G 3.6998 8.4344 107.5889 43.8612 0.0000 171.7419 38 R 4.8769 8.3422 119.9156 55.5977 31.1696 175.8114 39 H 4.9996 9.4544 123.7949 54.1080 31.6478 172.9608 40 D 4.9615 8.8583 123.1083 53.9913 41.3127 176.3343 41 I 4.2275 8.4013 122.9343 62.4441 39.4178 175.2263 42 N 4.5998 7.3078 114.2614 52.8325 39.2755 173.3505 43 D 4.5077 8.9340 116.5147 57.3747 41.2277 177.1193 44 Q 4.4774 8.0852 116.1990 56.4262 30.3235 175.5625 45 I 4.9634 7.8614 118.6414 58.9698 39.5917 174.7155 46 Y 5.5410 8.1765 123.6228 55.5901 42.2898 173.4346 47 M 5.1283 9.2879 115.5388 53.8809 35.3613 173.5238 48 N 5.6659 8.8377 117.4091 51.5237 41.7291 174.1646 49 V 5.0124 8.7179 122.7336 60.4184 34.8605 174.3374 50 M 4.8427 8.7525 118.5762 54.7551 34.9412 173.3294 51 E 5.7643 8.7656 118.6620 52.8933 29.6772 173.6955 52 P 4.8102 0.0000 0.0000 61.5842 34.4458 174.9901 53 E 5.6014 8.6903 118.8244 54.1037 30.9184 175.6310 54 T 4.1594 8.6592 114.0524 62.2938 69.3285 172.4789 55 A 4.8590 9.1006 124.7745 49.7091 23.7378 174.9605 56 E 4.2969 8.5540 118.2711 55.7237 30.1073 176.7896 57 P 4.2586 0.0000 0.0000 65.9008 31.5990 178.7801 58 S 4.1591 7.9406 112.9013 60.9960 62.9232 175.1736 59 S 4.3335 7.8085 113.1597 59.1570 62.9175 173.5347 60 K 4.5664 7.5043 121.1193 55.0539 35.3206 174.8460 61 K 4.6011 8.1344 121.0230 54.5760 34.1626 176.5090 62 A 4.3216 8.6490 124.9382 52.0716 19.8864 176.3333 63 E 5.4024 8.7054 116.5623 54.7121 33.6830 174.3749 64 L 4.8728 9.2149 120.3886 54.7089 44.6223 174.4477 65 H 5.5451 8.4145 115.1349 53.8065 32.2054 174.2579 66 H 4.3552 9.4068 116.1196 56.3747 30.7180 175.4037 67 E 4.5925 9.1903 117.8011 56.5886 31.7770 175.8404 68 Y 5.1963 8.2070 115.8483 55.9391 40.5316 175.8682 69 L 4.7675 9.4488 123.8833 55.3723 43.0956 174.9623 70 D 5.3605 8.8427 120.1102 52.7417 43.7383 175.7404 71 V 4.5868 8.6193 123.4961 61.1305 33.2215 173.7020 72 Q 4.7792 8.7765 127.4240 55.2654 30.3428 175.4336 73 V 5.0977 8.4614 116.8794 58.4045 34.9186 174.8215 74 L 4.4860 8.5785 127.4011 55.2988 42.9413 176.3360 75 I 4.3410 8.7539 126.1835 62.4653 39.2715 176.2302 76 R 4.4780 7.8858 116.6311 56.0785 32.6613 174.5705 77 G 3.9331 9.6847 105.7090 44.3804 0.0000 172.3873 78 T 4.9531 7.6451 114.9554 62.1245 72.6779 173.4780 79 E 4.7074 8.8826 124.8004 54.6188 33.6271 173.7679 80 N 5.0893 8.7958 123.8863 52.5393 40.6391 174.1280 81 I 4.8858 8.7434 123.8453 59.5200 40.7915 174.4898 82 E 4.7038 8.7650 127.2783 56.0230 30.9106 176.2889 83 V 4.7346 9.1155 116.8542 59.5086 36.7546 174.4958 84 G 4.3767 8.3567 107.8643 44.7296 0.0000 172.7903 85 A 4.7698 9.0257 126.2989 52.3671 20.4726 177.0171 86 T 4.4161 7.7519 106.1276 60.3456 70.1028 174.1767 87 Y 4.1241 8.6295 125.8186 57.2424 39.3617 174.2059 88 P 4.4486 0.0000 0.0000 62.2074 32.5288 176.1710 89 N 4.6712 8.5477 118.4263 52.5872 37.7595 175.4033 90 L 4.1933 8.4704 126.6159 57.1982 42.0775 180.0605 91 S 4.4058 8.2745 112.8296 60.8081 62.9234 175.1812 92 K 4.3433 8.0760 118.5412 56.6360 32.0284 175.6576 93 Y 4.5294 8.1276 118.2230 56.3315 39.0092 175.7009 94 E 4.2607 8.9122 123.8190 56.3007 30.5674 176.6374 95 D 4.5780 8.7295 120.7389 54.8391 41.7047 176.4060 96 Y 4.2545 8.8130 123.1818 57.6865 39.7407 174.2153 97 N 4.5562 8.1491 125.6009 51.6459 39.5809 175.3670 98 E 3.4736 8.2546 125.9136 58.8386 30.1115 178.4921 99 A 4.0111 7.8738 120.8289 55.2441 18.5113 177.8925 100 D 4.5562 8.3234 112.4640 53.5673 41.5556 176.0953 101 D 4.4232 8.0565 118.2171 53.8490 39.8144 171.1260 102 Y 5.3252 6.1857 117.1330 56.2311 42.5252 175.2006 103 Q 5.1226 9.7769 118.3166 54.3085 33.2084 174.5972 104 L 5.4294 8.6268 120.9988 53.6621 45.6901 174.7963 105 C 4.5861 8.3904 119.1326 58.1908 34.5929 175.0054 106 A 3.9465 8.5328 127.3655 54.6009 18.3889 177.3670 107 D 4.7720 7.4486 113.1065 52.7817 45.0381 174.4097 108 I 4.4567 7.9799 121.6295 59.4063 39.1070 175.5876 109 D 4.4669 8.7085 125.6323 55.4548 41.4036 175.9169 110 D 4.4902 8.8157 123.0859 55.0707 38.5183 174.1504 111 K 5.0711 8.2726 116.2835 56.7875 33.8870 175.9595 112 F 5.1254 7.8608 115.5514 55.9436 42.3197 172.6641 113 T 5.0836 8.8018 115.0799 61.7364 70.6087 174.2586 114 V 4.4823 8.8880 126.7558 60.3920 34.0233 174.8898 115 T 4.9231 8.5144 120.9393 62.6457 69.9650 173.8408 116 M 4.4792 9.8485 127.9129 54.0933 33.7898 175.9829 117 K 4.8445 8.4380 122.4828 53.6195 35.5615 174.0718 118 P 4.3659 0.0000 0.0000 64.6753 31.6364 177.3259 119 K 4.0403 9.5639 121.1521 56.6632 30.8938 176.1248 120 M 4.7991 7.9651 119.7353 55.3986 33.1625 175.3656 121 F 5.3380 8.7920 115.6855 55.3557 42.4121 173.1542 122 A 4.7812 8.9144 121.3852 50.1190 22.1512 175.0323 123 V 4.2930 8.4266 123.3402 61.3629 33.5274 174.5433 124 F 5.3718 8.2718 126.9287 55.9767 41.1820 175.2317 125 Y 4.8528 9.9620 122.8405 56.3747 39.6196 173.6211 126 P 4.5119 0.0000 0.0000 65.1692 31.6885 176.6671 127 Y 3.4231 8.0758 119.2316 57.5389 36.3366 168.7834 128 E 4.6008 8.0331 120.5090 54.3393 30.3248 174.4776 129 P 4.7551 0.0000 0.0000 63.0616 33.1130 175.0031 130 H 4.8084 8.4262 116.3212 54.4851 32.3406 172.4609 131 K 4.6350 8.8445 122.6082 54.0597 33.2665 173.7482 132 P 4.7554 0.0000 0.0000 61.3832 33.3920 174.8984 133 C 3.8874 9.5861 115.7689 61.2614 26.1089 173.2454 134 C 5.0018 8.0126 116.2866 58.8358 29.5040 174.6042 135 V 3.9763 8.4363 116.1014 61.9253 32.0081 175.7516 136 V 4.2648 7.8105 123.3805 61.7600 34.2978 175.3804 137 N 4.0951 9.8785 122.6918 54.2320 36.1421 174.5509 138 G 4.2355 8.4879 109.1198 45.6576 0.0000 175.3463 139 K 4.2190 7.5318 118.1403 56.4814 32.7320 175.5496 140 T 4.8436 8.2136 117.4934 61.9171 70.5125 173.5914 141 E 4.7905 9.0492 126.5769 53.9787 33.7005 174.7760 142 K 4.8177 8.7676 125.4822 56.5611 33.3266 175.9125 143 I 4.5730 8.4111 118.9654 58.8524 41.1730 174.0591 144 K 5.1105 8.8047 123.4507 54.6543 35.0825 174.7971 145 K 5.1045 8.7413 124.6378 55.9696 36.5971 174.1283 146 L 5.3677 8.7754 120.2593 54.0315 44.6667 175.3877 147 V 4.8172 8.5733 119.1055 61.1735 34.6259 174.3528 148 V 4.2783 8.7524 128.7292 62.0215 33.1178 174.6689 149 K 4.7208 8.5862 127.9682 54.9200 33.6599 175.3466 150 V 4.5351 8.4274 125.8869 60.0556 34.3924 173.3608 151 P 4.3401 0.0000 0.0000 62.3952 31.9131 177.6605 152 V 3.7513 8.5601 123.2299 65.4706 31.7559 177.9576 153 K 3.8817 8.1635 118.3999 59.5713 31.8356 177.4899 154 L 4.2624 7.8314 115.9986 55.6658 41.9696 176.9974 155 I 4.0199 7.7452 125.0398 61.5420 37.0420 175.6088 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 4.92 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 2 I 8.20 4.43 1.88 0.00 0.00 1.00 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 1.09 0.94 0.00 0.00 3 I 8.40 4.57 1.80 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 1.24 0.94 0.80 0.00 0.00 4 S 7.61 4.22 0.00 3.55 2.76 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 5 S 8.36 4.99 0.00 3.77 3.60 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 6 L 9.27 3.26 0.00 1.49 1.59 0.76 0.28 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 7 T 7.48 4.28 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 1.22 0.00 0.00 8 N 7.83 4.67 0.00 3.22 2.86 0.00 0.00 6.87 8.30 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 9 P 0.00 4.60 0.00 2.07 2.16 0.00 3.68 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 2.06 2.16 0.00 10 N 7.69 5.01 0.00 2.76 2.74 0.00 0.00 6.77 8.01 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 11 F 8.50 4.50 0.00 3.35 3.41 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 12 K 7.24 4.01 0.00 1.57 1.72 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.79 0.43 7.81 13 V 7.21 3.72 2.09 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 0.74 0.00 0.00 0.96 0.00 0.00 14 G 8.95 4.04 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 0.00 0.00 0.00 15 L 7.73 4.28 0.00 1.88 1.70 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.40 0.00 2.25 2.06 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 17 K 8.76 3.81 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.59 7.81 18 V 7.82 3.64 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 1.11 0.00 0.00 0.98 0.00 0.00 19 I 7.75 3.65 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 1.56 0.45 0.90 0.00 0.00 20 A 8.25 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 21 E 8.73 3.92 0.00 2.19 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 0.00 2.35 2.33 0.00 22 V 8.04 3.63 2.19 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 0.99 0.00 0.00 0.97 0.00 0.00 23 C 8.25 3.99 0.00 3.28 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 24 D 8.36 4.46 0.00 2.98 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 25 Y 8.24 4.29 0.00 3.06 3.23 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 26 L 8.08 3.72 0.00 1.93 1.55 nan 0.44 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 27 N 7.66 4.53 0.00 2.99 2.86 0.00 0.00 7.03 7.35 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 28 T 7.50 4.18 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 1.05 0.00 0.00 29 L 6.70 4.53 0.00 1.61 1.51 0.54 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.01 4.60 0.00 2.64 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 31 L 8.09 3.87 0.00 1.73 1.67 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.21 4.35 0.00 2.68 2.82 0.00 0.00 7.04 8.02 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 33 A 7.84 4.56 1.33 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 0.00 0.00 0.00 34 L 7.29 3.94 0.00 1.74 1.60 0.80 0.66 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 35 E 8.68 4.18 0.00 2.02 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 2.33 2.36 0.00 36 N 8.67 4.42 0.00 2.72 2.78 0.00 0.00 7.11 7.65 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 37 G 8.43 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 38 R 8.34 4.88 0.00 1.84 1.82 0.00 2.92 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 39 H 9.45 5.00 0.00 3.10 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.86 4.96 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.40 4.23 1.99 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 1.38 0.64 0.46 0.00 0.00 42 N 7.31 4.60 0.00 2.73 2.69 0.00 0.00 6.05 8.06 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 43 D 8.93 4.51 0.00 2.68 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 44 Q 8.09 4.48 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 45 I 7.86 4.96 1.85 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 1.05 1.57 0.92 0.00 0.00 46 Y 8.18 5.54 0.00 3.08 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 47 M 9.29 5.13 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 48 N 8.84 5.67 0.00 2.69 2.78 0.00 0.00 6.80 7.72 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 49 V 8.72 5.01 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 1.04 0.00 0.00 0.99 0.00 0.00 50 M 8.75 4.84 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 51 E 8.77 5.76 0.00 1.82 1.88 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 2.19 2.31 0.00 52 P 0.00 4.81 0.00 2.10 2.16 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 53 E 8.69 5.60 0.00 1.98 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 2.19 2.12 0.00 54 T 8.66 4.16 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 1.25 0.00 0.00 55 A 9.10 4.86 1.19 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 0.00 0.00 56 E 8.55 4.30 0.00 2.00 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 0.00 2.39 2.26 0.00 57 P 0.00 4.26 0.00 2.15 2.21 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 58 S 7.94 4.16 0.00 3.84 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 59 S 7.81 4.33 0.00 3.97 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 60 K 7.50 4.57 0.00 1.59 1.60 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 61 K 8.13 4.60 0.00 1.59 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 62 A 8.65 4.32 1.19 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 0.00 0.00 63 E 8.71 5.40 0.00 1.90 1.84 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 2.05 1.82 0.00 64 L 9.21 4.87 0.00 1.47 1.60 0.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.41 5.55 0.00 3.28 3.58 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.41 4.36 0.00 3.00 3.22 0.00 5.69 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 67 E 9.19 4.59 0.00 1.94 1.88 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 2.57 2.59 0.00 68 Y 8.21 5.20 0.00 2.97 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 69 L 9.45 4.77 0.00 1.83 1.88 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.84 5.36 0.00 2.85 2.70 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 71 V 8.62 4.59 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 0.85 0.00 0.00 0.84 0.00 0.00 72 Q 8.78 4.78 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 73 V 8.46 5.10 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 1.04 0.00 0.00 0.95 0.00 0.00 74 L 8.58 4.49 0.00 1.78 1.68 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.75 4.34 1.92 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 1.25 0.75 0.89 0.00 0.00 76 R 7.89 4.48 0.00 1.86 1.95 0.00 2.97 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 77 G 9.68 3.93 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 0.00 0.00 0.00 78 T 7.65 4.95 4.24 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 1.25 0.00 0.00 79 E 8.88 4.71 0.00 2.03 1.73 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 2.21 2.28 0.00 80 N 8.80 5.09 0.00 3.03 2.72 0.00 0.00 6.54 7.24 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 81 I 8.74 4.89 1.96 0.00 0.00 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 1.28 0.89 0.98 0.00 0.00 82 E 8.76 4.70 0.00 1.87 1.77 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 2.28 2.26 0.00 83 V 9.12 4.73 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 0.68 0.00 0.00 0.14 0.00 0.00 84 G 8.36 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 0.00 0.00 0.00 0.00 85 A 9.03 4.77 1.53 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 0.00 0.00 86 T 7.75 4.42 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 1.37 0.00 0.00 87 Y 8.63 4.12 0.00 2.93 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 88 P 0.00 4.45 0.00 2.09 1.98 0.00 2.47 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.63 0.00 89 N 8.55 4.67 0.00 2.83 2.87 0.00 0.00 6.93 6.66 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 90 L 8.47 4.19 0.00 1.81 1.77 0.99 0.52 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 91 S 8.27 4.41 0.00 4.04 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 0.00 92 K 8.08 4.34 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 93 Y 8.13 4.53 0.00 3.03 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 94 E 8.91 4.26 0.00 1.92 1.95 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 2.35 2.42 0.00 95 D 8.73 4.58 0.00 2.58 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 96 Y 8.81 4.25 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 97 N 8.15 4.56 0.00 2.05 1.42 0.00 0.00 7.07 7.54 0.00 0.00 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 E 8.25 3.47 0.00 1.87 1.93 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 2.48 2.36 0.00 99 A 7.87 4.01 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 0.00 100 D 8.32 4.56 0.00 2.82 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 0.00 101 D 8.06 4.42 0.00 3.12 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 0.00 102 Y 6.19 5.33 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.78 5.12 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 104 L 8.63 5.43 0.00 1.63 1.52 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.39 4.59 0.00 1.23 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 0.00 0.00 0.00 106 A 8.53 3.95 1.21 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 0.00 0.00 107 D 7.45 4.77 0.00 2.55 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 0.00 108 I 7.98 4.46 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.89 0.00 0.00 109 D 8.71 4.47 0.00 2.72 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 0.00 110 D 8.82 4.49 0.00 2.90 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 0.00 111 K 8.27 5.07 0.00 1.76 1.95 0.00 1.12 0.00 0.00 2.48 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.31 7.81 112 F 7.86 5.13 0.00 3.07 3.16 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 0.00 0.00 0.00 0.00 113 T 8.80 5.08 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 1.25 0.00 0.00 114 V 8.89 4.48 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 1.01 0.00 0.00 0.98 0.00 0.00 115 T 8.51 4.92 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 1.25 0.00 0.00 116 M 9.85 4.48 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 117 K 8.44 4.84 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.38 7.81 118 P 0.00 4.37 0.00 2.02 2.20 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 119 K 9.56 4.04 0.00 1.91 1.95 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.51 7.81 120 M 7.97 4.80 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 121 F 8.79 5.34 0.00 3.07 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 0.00 122 A 8.91 4.78 0.70 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 0.00 123 V 8.43 4.29 1.86 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 0.32 0.00 0.00 0.98 0.00 0.00 124 F 8.27 5.37 0.00 2.89 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 0.00 125 Y 9.96 4.85 0.00 3.01 2.96 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 0.00 126 P 0.00 4.51 0.00 2.37 2.25 0.00 4.01 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 127 Y 8.08 3.42 0.00 3.25 3.17 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 0.00 128 E 8.03 4.60 0.00 2.22 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 2.48 2.57 0.00 129 P 0.00 4.76 0.00 2.09 2.23 0.00 3.94 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 2.05 1.95 0.00 130 H 8.43 4.81 0.00 2.50 2.20 0.00 5.20 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.84 4.63 0.00 1.69 1.60 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.25 1.46 7.81 132 P 0.00 4.76 0.00 2.00 2.15 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 133 C 9.59 3.89 0.00 3.08 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 0.00 134 C 8.01 5.00 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 0.00 135 V 8.44 3.98 2.26 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 0.64 0.00 0.00 0.93 0.00 0.00 136 V 7.81 4.26 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 0.98 0.00 0.00 1.07 0.00 0.00 137 N 9.88 4.10 0.00 2.90 2.88 0.00 0.00 7.13 7.65 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 0.00 138 G 8.49 4.24 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 0.00 139 K 7.53 4.22 0.00 1.81 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.41 7.81 140 T 8.21 4.84 4.24 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 1.24 0.00 0.00 141 E 9.05 4.79 0.00 1.99 1.72 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 2.18 2.22 0.00 142 K 8.77 4.82 0.00 1.78 1.84 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.49 7.81 143 I 8.41 4.57 2.03 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 1.33 0.74 1.01 0.00 0.00 144 K 8.80 5.11 0.00 1.79 1.64 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.46 7.81 145 K 8.74 5.10 0.00 1.98 1.85 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 146 L 8.78 5.37 0.00 1.89 1.74 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.57 4.82 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 0.90 0.00 0.00 0.95 0.00 0.00 148 V 8.75 4.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.88 0.00 0.00 149 K 8.59 4.72 0.00 0.79 0.94 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.62 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.91 0.78 7.81 150 V 8.43 4.54 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 1.00 0.00 0.00 0.92 0.00 0.00 151 P 0.00 4.34 0.00 2.12 1.69 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.87 0.00 152 V 8.56 3.75 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 1.06 0.00 0.00 1.08 0.00 0.00 153 K 8.16 3.88 0.00 1.73 1.88 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 154 L 7.83 4.26 0.00 1.67 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.75 4.02 1.95 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.95 0.00 0.00