NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4275 8.3049 120.3289 54.6788 33.4498 174.4183 2 E 3.7843 8.4997 119.7511 55.5777 29.6770 175.5263 3 A 3.9163 9.4821 127.1894 52.5926 19.7323 177.0045 4 L 4.0105 8.5651 123.0293 56.1683 41.8933 178.1172 5 G 3.7832 8.3982 104.6828 44.9756 0.0000 172.7367 6 A 4.7183 7.2889 121.4102 51.4530 21.3176 176.8087 7 D 4.7285 8.0269 121.0854 53.7254 42.5851 175.8316 8 V 4.6115 8.2836 121.3625 61.4511 34.6920 175.0365 9 T 4.3880 7.8504 122.0305 61.8714 69.0641 174.0516 10 Q 3.8919 8.7529 126.2694 56.2111 28.6796 177.9539 11 G 3.9340 8.9893 110.9461 46.6820 0.0000 172.2888 12 L 5.0458 8.5163 120.4812 52.9926 46.1482 174.9620 13 E 4.9051 8.7292 118.9655 54.3043 34.3889 174.5228 14 K 4.0577 8.3119 122.3899 57.5875 31.9507 177.0203 15 G 4.1005 9.0814 116.2149 45.5183 0.0000 174.2619 16 S 4.2599 7.8461 116.7803 58.7968 64.0666 173.3343 17 L 5.1568 8.4368 123.9080 53.3433 42.8885 175.7128 18 I 4.7310 8.6668 116.8612 59.1824 41.9818 174.2999 19 T 4.4043 8.3590 118.8247 63.2020 69.9396 174.3770 20 C 5.0343 8.7091 126.6472 56.7591 31.0772 173.7524 21 A 4.5375 7.9328 132.0435 49.7142 15.7938 174.5890 22 D 4.5284 7.4391 120.3918 52.6440 42.5619 175.8156 23 N 4.9135 7.9934 113.8514 53.1536 37.5937 176.2697 24 T 4.0882 9.0501 108.4805 62.7594 69.2871 175.5765 25 G 3.8442 7.9603 110.3113 45.5355 0.0000 172.9844 26 A 4.6924 7.2786 122.0393 51.3067 20.1188 176.7539 27 R 4.3579 8.9399 122.5210 57.6229 32.1012 175.8960 28 E 4.9016 8.0303 120.7785 54.4044 32.0376 173.8721 29 L 5.0050 8.8194 127.5943 53.0347 44.5237 175.6480 30 K 4.7608 9.2612 125.5839 54.3316 33.9324 175.4065 31 V 3.9377 8.3575 128.6273 64.0959 31.8040 176.1929 32 I 4.3237 9.1233 127.5663 62.5424 39.8417 175.6949 33 S 4.6454 7.8231 115.1533 57.2138 68.2170 173.6716 34 V 4.4117 8.0984 120.8941 61.0837 32.9827 173.2126 35 H 3.9735 8.7313 126.1500 57.2254 29.6398 175.1984 36 G 3.8911 8.8395 114.6441 45.7386 0.0000 172.0445 37 Y 4.4849 8.3296 120.7707 56.2786 39.8369 174.9969 38 S 4.2040 7.1478 119.5573 56.3346 65.0936 173.7241 39 G 3.8455 8.0551 124.0646 45.5965 0.0000 170.5970 40 T 4.6019 8.0648 114.9951 59.6074 71.0335 173.3568 41 K 4.0928 8.3920 124.5196 57.7920 32.2911 176.3220 42 N 4.4796 8.9998 122.0479 53.4160 36.0904 173.5903 43 R 4.5073 7.5038 118.5090 54.6607 31.4657 175.4412 44 H 4.4674 8.7244 122.8959 54.5854 29.3110 173.1910 45 P 4.4316 0.0000 0.0000 63.6217 31.6113 175.2651 46 K 4.9398 7.8406 123.1634 55.0959 34.9970 175.1694 47 A 4.7879 8.8562 123.0778 50.7424 23.4183 174.7709 48 G 4.1467 9.4782 105.3365 45.5148 0.0000 172.6627 49 L 4.0944 9.4736 119.9987 56.2318 41.6022 178.5519 50 G 4.1549 9.0296 112.6248 45.2695 0.0000 173.2191 51 D 4.6928 8.2793 120.6305 53.7864 42.7108 175.5910 52 K 4.6542 8.7157 124.0433 55.2532 33.6367 175.4394 53 I 4.7429 8.3563 121.4774 59.7091 41.1484 174.1817 54 T 4.8377 8.5650 119.1137 62.0123 70.4455 174.4748 55 V 4.9098 9.2445 125.4297 61.1251 35.5129 173.9072 56 S 5.6293 8.5966 120.1092 55.6842 65.6091 172.7684 57 V 4.3502 8.2007 125.8314 62.7298 32.2022 176.0197 58 T 4.1135 9.2458 125.6374 65.6409 69.1229 175.3454 59 K 4.5370 9.2192 119.9045 54.6950 35.5619 177.0844 60 G 4.0784 8.5491 108.8339 44.5257 0.0000 173.0413 61 T 4.0144 7.7898 110.6474 60.9774 69.2434 173.3693 62 P 4.1911 0.0000 0.0000 66.1054 31.3135 178.4796 63 E 4.1569 8.0070 116.0158 59.4100 29.7231 178.5438 64 M 4.1930 7.9035 118.7361 56.8678 32.2299 177.1513 65 R 3.8942 7.5614 117.9511 57.6162 30.6801 176.7041 66 R 3.9462 8.6569 119.3250 56.9966 28.4703 176.0490 67 Q 4.4719 7.5789 117.4036 54.8310 30.9040 175.2679 68 V 4.2445 8.3025 122.8010 61.7778 32.4176 174.3063 69 L 4.9096 9.2172 128.0517 52.8335 46.2181 174.7811 70 E 5.0957 8.5047 119.3409 54.9210 32.3817 174.3728 71 A 4.9049 8.5754 126.1632 50.9169 23.8352 174.6849 72 V 4.4730 8.5369 119.0253 60.7906 34.4683 174.9786 73 V 3.9295 8.5712 128.2098 63.2233 31.2603 176.3829 74 V 3.7312 8.9079 130.0148 65.0073 32.9550 175.7477 75 R 4.2354 7.2584 117.0362 54.4704 35.0604 173.8129 76 Q 4.9180 7.5830 115.3567 56.0040 30.8608 175.5109 77 R 4.0687 8.9242 120.2554 58.8208 30.5401 177.8328 78 K 4.1427 7.9076 119.1384 55.6789 32.7682 175.3562 79 P 4.8996 0.0000 0.0000 63.0862 32.8264 174.9063 80 I 4.8620 8.9461 114.6843 59.1764 41.9078 174.0495 81 R 4.9255 8.8379 123.0334 54.7563 32.0756 174.9357 82 R 4.5557 9.0468 126.2322 54.8949 31.5133 176.4665 83 P 4.0286 0.0000 0.0000 65.9639 31.5047 177.0955 84 D 4.4953 7.9523 114.1336 53.9467 39.5585 176.0665 85 G 4.0713 8.8302 109.5930 45.8077 0.0000 174.6506 86 T 3.9981 7.9005 115.9677 64.1077 69.4219 173.8796 87 R 4.9857 8.4807 124.0300 55.4637 32.1015 175.9757 88 V 4.6182 8.7956 121.2387 61.1884 35.1364 174.3075 89 K 5.1252 8.4469 124.5810 55.6548 35.9954 174.7072 90 F 4.8367 8.6294 119.2362 55.5669 41.6439 175.3939 91 E 4.2034 9.0881 119.3918 58.4732 29.9270 175.0966 92 D 4.6606 7.5587 115.2038 53.2870 42.1113 173.5512 93 N 5.2574 8.7023 114.4761 52.0468 41.7349 173.7513 94 A 5.6854 8.7410 122.9354 50.9076 23.1820 174.9067 95 A 5.0596 8.4750 121.8181 50.2383 23.3644 174.7964 96 V 4.2396 8.5099 120.9505 60.9878 33.5992 175.7903 97 I 4.3328 8.4579 128.8346 61.9952 38.4142 175.0841 98 V 4.5900 8.6436 123.4143 61.4831 35.0300 172.0264 99 D 5.0556 8.5092 120.4196 51.1923 41.8947 176.2148 100 E 3.8888 8.9505 117.5560 60.1868 29.2609 178.0851 101 N 4.7067 8.5341 112.9180 52.8101 38.5366 174.7181 102 E 3.7953 8.4470 116.7394 57.8448 27.4431 173.9457 103 D 5.1070 8.3429 117.0088 50.5335 42.9790 174.5147 104 P 4.7190 0.0000 0.0000 62.6712 31.2919 176.7712 105 R 4.1712 8.7041 121.2863 57.0627 30.3847 175.6737 106 G 4.4249 7.4048 105.8241 45.3398 0.0000 171.3882 107 T 4.3401 8.8965 113.2691 64.8886 70.4019 174.3134 108 E 4.8468 8.4406 119.5947 54.4058 33.3408 174.5870 109 L 4.8734 8.2877 120.4871 52.9788 44.2265 176.3174 110 K 4.1927 8.1998 122.9636 56.7749 32.7166 178.2214 111 G 4.0210 8.9871 110.1597 44.4611 0.0000 170.6429 112 P 4.8772 0.0000 0.0000 62.9005 32.5428 175.1312 113 I 4.8424 8.4903 118.4707 59.5103 42.1081 174.6200 114 A 4.8918 8.1855 127.6809 51.6260 19.1553 178.5199 115 R 3.8686 9.1887 120.5846 59.9955 29.1470 178.6406 116 E 3.9151 8.4495 118.6886 59.2986 29.2615 179.5212 117 V 3.6956 8.1283 117.8761 65.5365 31.5402 177.9589 118 A 4.0524 8.3018 121.3296 55.0217 18.0403 179.0187 119 Q 4.1919 7.5078 113.3778 57.3818 28.6718 176.6781 120 R 4.0215 7.3735 116.6420 57.1662 32.3161 176.5819 121 F 4.7273 7.7764 121.1751 54.9559 38.2291 176.2350 122 G 3.7447 8.1623 111.1040 47.9520 0.0000 172.1597 123 S 4.1459 8.1178 117.5532 59.9813 62.5784 177.0246 124 V 3.5695 7.8309 120.8476 65.7681 31.3743 177.4668 125 A 4.1646 8.1182 120.7854 55.2155 18.2916 180.8585 126 S 4.5234 8.7561 109.6899 58.6286 62.7290 175.1637 127 A 4.6936 7.5332 120.5669 52.2716 21.0525 177.0863 128 A 4.2985 8.5395 120.4290 52.2273 19.0823 178.0426 129 T 4.1584 8.3069 118.9502 65.6229 69.6085 174.5140 130 M 4.6775 7.7309 119.9208 53.7509 34.8888 174.7502 131 I 4.5317 8.2771 122.9651 59.4899 39.6951 175.5222 132 V 3.9206 8.7138 126.2940 62.8597 30.9897 175.5605 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 4.43 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 E 8.50 3.78 0.00 1.93 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 2.31 0.00 3 A 9.48 3.92 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 4 L 8.57 4.01 0.00 1.66 1.76 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.40 3.78 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 0.00 0.00 0.00 6 A 7.29 4.72 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 7 D 8.03 4.73 0.00 2.64 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 8 V 8.28 4.61 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 0.86 0.00 0.00 0.96 0.00 0.00 9 T 7.85 4.39 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 10 Q 8.75 3.89 0.00 1.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 11 G 8.99 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 12 L 8.52 5.05 0.00 1.46 1.49 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.73 4.91 0.00 1.86 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 2.20 2.21 0.00 14 K 8.31 4.06 0.00 1.91 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 15 G 9.08 4.10 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 0.00 16 S 7.85 4.26 0.00 3.81 3.78 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 17 L 8.44 5.16 0.00 1.51 1.59 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.67 4.73 1.83 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 1.30 0.84 0.88 0.00 0.00 19 T 8.36 4.40 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 1.20 0.00 0.00 20 C 8.71 5.03 0.00 2.97 3.09 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 21 A 7.93 4.54 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 22 D 7.44 4.53 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 23 N 7.99 4.91 0.00 3.00 3.05 0.00 0.00 7.19 7.10 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 24 T 9.05 4.09 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 1.27 0.00 0.00 25 G 7.96 3.84 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 0.00 0.00 0.00 26 A 7.28 4.69 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 27 R 8.94 4.36 0.00 1.78 1.95 0.00 3.07 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.03 4.90 0.00 2.00 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 2.25 2.28 0.00 29 L 8.82 5.00 0.00 1.59 1.51 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.26 4.76 0.00 1.76 1.66 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 V 8.36 3.94 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 0.95 0.00 0.00 0.95 0.00 0.00 32 I 9.12 4.32 1.96 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 1.22 1.03 0.91 0.00 0.00 33 S 7.82 4.65 0.00 3.74 3.73 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 34 V 8.10 4.41 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 1.01 0.00 0.00 0.82 0.00 0.00 35 H 8.73 3.97 0.00 3.25 3.33 0.00 6.06 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 36 G 8.84 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.33 4.48 0.00 2.85 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 38 S 7.15 4.20 0.00 3.64 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.06 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 40 T 8.06 4.60 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 1.23 0.00 0.00 41 K 8.39 4.09 0.00 1.76 1.72 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 42 N 9.00 4.48 0.00 2.96 3.01 0.00 0.00 6.96 7.66 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 43 R 7.50 4.51 0.00 1.78 2.00 0.00 3.41 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 44 H 8.72 4.47 0.00 3.26 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.43 0.00 2.12 2.44 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 46 K 7.84 4.94 0.00 1.71 1.72 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.08 1.13 7.81 47 A 8.86 4.79 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 0.00 0.00 0.00 0.00 0.00 48 G 9.48 4.15 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 0.00 0.00 0.00 49 L 9.47 4.09 0.00 1.59 1.67 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.03 4.15 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 0.00 0.00 0.00 51 D 8.28 4.69 0.00 2.69 2.59 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 52 K 8.72 4.65 0.00 1.80 1.70 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.39 7.81 53 I 8.36 4.74 1.95 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 1.31 0.51 0.86 0.00 0.00 54 T 8.56 4.84 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 1.26 0.00 0.00 55 V 9.24 4.91 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 0.99 0.00 0.00 0.89 0.00 0.00 56 S 8.60 5.63 0.00 3.92 3.64 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 57 V 8.20 4.35 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 0.91 0.00 0.00 58 T 9.25 4.11 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 1.28 0.00 0.00 59 K 9.22 4.54 0.00 1.76 1.66 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.39 7.81 60 G 8.55 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 0.00 0.00 0.00 61 T 7.79 4.01 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 1.20 0.00 0.00 62 P 0.00 4.19 0.00 2.03 2.17 0.00 3.67 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 2.03 2.19 0.00 63 E 8.01 4.16 0.00 1.93 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 0.00 2.31 2.33 0.00 64 M 7.90 4.19 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 65 R 7.56 3.89 0.00 1.88 1.86 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 66 R 8.66 3.95 0.00 1.96 2.06 0.00 3.14 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.58 4.47 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 68 V 8.30 4.24 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 9.22 4.91 0.00 1.52 1.51 0.90 0.84 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 70 E 8.50 5.10 0.00 1.99 1.71 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 2.19 2.33 0.00 71 A 8.58 4.90 1.15 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 0.00 0.00 72 V 8.54 4.47 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 0.07 0.00 0.00 0.23 0.00 0.00 73 V 8.57 3.93 2.14 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 0.87 0.00 0.00 0.90 0.00 0.00 74 V 8.91 3.73 2.06 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 0.81 0.00 0.00 0.92 0.00 0.00 75 R 7.26 4.24 0.00 1.42 0.80 0.00 3.28 0.00 0.00 3.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.29 0.00 76 Q 7.58 4.92 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.54 0.00 77 R 8.92 4.07 0.00 1.87 2.06 0.00 3.18 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.59 0.00 78 K 7.91 4.14 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.90 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 80 I 8.95 4.86 2.09 0.00 0.00 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 1.34 1.02 1.00 0.00 0.00 81 R 8.84 4.93 0.00 1.88 1.82 0.00 3.09 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 82 R 9.05 4.56 0.00 1.92 1.83 0.00 3.23 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 83 P 0.00 4.03 0.00 2.04 2.12 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 84 D 7.95 4.50 0.00 2.78 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 85 G 8.83 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 86 T 7.90 4.00 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 1.20 0.00 0.00 87 R 8.48 4.99 0.00 1.69 1.85 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 88 V 8.80 4.62 2.12 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 0.88 0.00 0.00 0.91 0.00 0.00 89 K 8.45 5.13 0.00 1.97 1.74 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.44 7.81 90 F 8.63 4.84 0.00 3.11 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 91 E 9.09 4.20 0.00 1.97 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 2.31 2.26 0.00 92 D 7.56 4.66 0.00 2.68 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 93 N 8.70 5.26 0.00 2.60 2.68 0.00 0.00 6.52 8.00 0.00 0.00 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 A 8.74 5.69 1.14 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 0.00 0.00 95 A 8.47 5.06 1.14 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 0.00 0.00 96 V 8.51 4.24 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 0.89 0.00 0.00 0.88 0.00 0.00 97 I 8.46 4.33 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.12 0.93 0.00 0.00 98 V 8.64 4.59 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 0.50 0.00 0.00 0.94 0.00 0.00 99 D 8.51 5.06 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 0.00 100 E 8.95 3.89 0.00 1.97 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 0.00 2.32 2.36 0.00 101 N 8.53 4.71 0.00 2.99 2.85 0.00 0.00 7.15 8.50 0.00 0.00 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 E 8.45 3.80 0.00 2.17 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 2.27 2.32 0.00 103 D 8.34 5.11 0.00 2.96 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 0.00 104 P 0.00 4.72 0.00 2.20 2.20 0.00 3.87 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 2.08 2.07 0.00 105 R 8.70 4.17 0.00 1.77 1.95 0.00 3.15 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 106 G 7.40 4.42 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 0.00 107 T 8.90 4.34 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 1.21 0.00 0.00 108 E 8.44 4.85 0.00 1.88 1.82 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 2.22 2.25 0.00 109 L 8.29 4.87 0.00 1.49 1.55 0.95 0.93 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 0.00 110 K 8.20 4.19 0.00 1.69 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 111 G 8.99 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 0.00 112 P 0.00 4.88 0.00 2.24 2.17 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 113 I 8.49 4.84 1.92 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 1.16 0.67 0.94 0.00 0.00 114 A 8.19 4.89 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 0.00 115 R 9.19 3.87 0.00 2.07 2.27 0.00 3.02 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 116 E 8.45 3.92 0.00 2.12 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 2.44 2.61 0.00 117 V 8.13 3.70 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 1.36 0.00 0.00 1.01 0.00 0.00 118 A 8.30 4.05 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 0.00 119 Q 7.51 4.19 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.37 4.02 0.00 1.23 0.66 0.00 3.00 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 121 F 7.78 4.73 0.00 3.15 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 0.00 122 G 8.16 3.74 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 0.00 0.00 0.00 123 S 8.12 4.15 0.00 4.08 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 0.00 124 V 7.83 3.57 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 1.03 0.00 0.00 1.01 0.00 0.00 125 A 8.12 4.16 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 0.00 126 S 8.76 4.52 0.00 4.03 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 0.00 127 A 7.53 4.69 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 0.00 128 A 8.54 4.30 1.31 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 0.00 129 T 8.31 4.16 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 0.00 130 M 7.73 4.68 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 131 I 8.28 4.53 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 1.27 0.63 0.95 0.00 0.00 132 V 8.71 3.92 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 0.60 0.00 0.00 0.94 0.00 0.00