NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4456 8.1927 115.4128 58.1074 64.6126 175.4112 2 K 3.8765 8.0111 123.8777 59.0497 33.0506 173.8031 3 G 4.2630 7.7411 106.7888 44.2745 0.0000 170.0559 4 V 4.5698 8.3418 119.9339 61.3850 33.1369 176.5058 5 I 4.5113 8.3412 121.3253 59.5254 39.9759 174.5337 6 T 4.9218 8.5409 123.0409 62.6888 69.3339 173.9919 7 I 4.9434 8.5998 119.8472 59.2676 41.2027 174.0085 8 T 4.8904 8.2569 110.5474 58.9653 72.0781 174.5283 9 D 4.4467 9.1988 120.7870 57.8223 40.4495 179.3288 10 A 4.1454 7.5243 119.3941 54.2870 18.5806 178.3975 11 E 4.5146 8.1097 115.1170 56.1379 30.2029 177.6267 12 F 4.0135 7.9618 122.0424 61.2762 39.4863 176.5042 13 E 3.8686 8.2880 118.5184 59.3948 29.3473 178.8025 14 S 4.1468 7.8755 112.4051 61.4141 63.4413 175.6894 15 E 4.0830 8.2554 121.3996 57.9470 29.5261 177.4540 16 V 3.9802 7.5134 115.8837 64.4119 32.9462 177.6120 17 L 3.9249 7.2143 117.7906 57.3549 41.7551 178.8160 18 K 4.4004 7.7834 115.0174 55.8833 32.1425 176.6180 19 A 4.1837 7.4629 122.4645 51.9830 18.7839 178.1105 20 E 4.0873 8.6212 120.4583 57.8172 30.1080 176.6417 21 Q 4.6640 7.5667 115.8855 52.8873 31.6908 173.0947 22 P 4.5690 0.0000 0.0000 62.9002 32.8134 175.7369 23 V 4.8566 8.7761 122.1691 61.0580 34.8754 173.9726 24 L 4.7941 8.9166 130.5344 54.0107 43.5643 175.0258 25 V 4.6304 8.9667 127.6896 61.4084 33.6295 173.5212 26 Y 5.3655 8.6685 129.4903 56.0052 41.1144 173.9972 27 F 5.2860 9.3713 126.1474 55.6468 41.7301 174.9727 28 W 5.3849 8.2190 118.8038 55.4669 32.3462 173.0215 29 A 3.9716 7.8900 119.5495 49.9809 21.2507 177.7427 30 S 4.2284 8.0335 114.4861 60.5967 63.3952 175.1828 31 W 4.5524 6.9758 116.0959 56.3118 28.2141 176.4746 32 C 4.7093 7.5848 121.0176 55.2113 43.6318 174.3685 33 G 3.7361 8.8363 114.5343 47.6253 0.0000 172.0458 34 P 4.3262 0.0000 0.0000 64.8740 31.3026 179.3082 35 C 4.5441 8.0879 115.8339 59.9944 39.8009 175.9521 36 Q 3.8647 8.0853 119.3131 58.7828 28.2773 178.3669 37 L 4.1539 7.5512 119.0884 57.7727 41.9286 178.9603 38 M 4.0639 7.8589 118.3244 57.9068 32.1794 178.1137 39 S 3.8482 8.0357 113.5055 61.2224 62.4127 174.7281 40 P 4.1684 0.0000 0.0000 65.4575 31.1103 178.3739 41 L 3.9070 7.6901 118.6673 58.1368 42.0698 178.9144 42 I 3.5756 7.6676 119.9331 64.1602 36.9144 177.9023 43 N 4.2385 7.9221 117.7020 56.4148 38.6802 176.6112 44 L 3.8648 7.8000 121.5341 58.1591 42.1132 178.7321 45 A 4.1139 8.0610 120.3933 55.1690 18.0765 179.3671 46 A 3.9855 7.8064 118.0481 55.5084 18.6485 179.3613 47 N 4.6946 8.0360 116.2164 56.3323 38.4072 177.8368 48 T 3.7707 8.0004 116.1477 65.8917 68.6666 175.5625 49 Y 4.6760 8.1854 118.2582 57.3654 39.0743 177.9347 50 S 4.6267 7.5263 117.2552 60.8581 62.8508 175.1047 51 D 4.6636 8.0036 117.2969 54.8228 41.0162 176.6483 52 R 4.6626 8.3505 116.3956 55.3744 31.9529 174.7674 53 L 4.8461 7.6737 118.6565 53.4380 45.4854 174.3782 54 K 4.6336 8.8017 125.9538 54.5720 34.9673 174.7379 55 V 4.8589 8.3451 126.3050 61.2862 34.2349 174.5239 56 V 5.2001 8.8035 120.2295 59.4861 36.2934 174.5818 57 K 5.1971 9.0772 120.6111 55.3988 36.4751 175.1699 58 L 5.0757 8.5606 121.3096 52.9273 45.7552 175.5724 59 E 3.3521 8.6022 124.1463 55.0011 30.7945 176.5818 60 I 3.8925 7.9009 119.6606 63.9423 38.2360 177.9219 61 D 4.3786 8.1605 120.2000 56.7326 40.5665 175.6869 62 P 4.5807 0.0000 0.0000 63.2388 32.3511 175.7119 63 N 5.2424 7.8378 116.0442 50.8038 38.9364 173.2423 64 P 4.2582 0.0000 0.0000 66.1499 31.7648 178.9522 65 T 3.8118 8.1452 115.4483 66.8991 68.4209 176.9682 66 T 3.6821 8.2441 117.6676 66.2551 68.3809 177.1070 67 V 3.4249 7.6024 120.3779 65.8921 31.5771 178.3228 68 K 3.8902 7.9931 118.1768 59.3021 31.6845 179.0815 69 K 3.6750 7.7662 118.6993 59.1793 31.9920 177.3647 70 Y 4.4760 7.4491 113.4709 56.1854 38.8889 175.6955 71 K 3.5916 7.6857 118.2798 57.2942 30.1848 177.0879 72 V 3.7325 7.6164 118.0512 62.5034 30.6728 175.0773 73 E 4.6919 8.5227 129.2273 54.8279 30.2798 176.6764 74 G 4.3163 7.0760 108.4522 45.7297 0.0000 173.4096 75 V 4.5930 8.0802 113.8499 58.2373 35.5549 173.9252 76 P 4.9335 0.0000 0.0000 63.1590 32.9411 174.8801 77 A 5.2371 8.8844 121.1776 50.5982 23.2270 175.0512 78 L 5.5036 9.1774 120.1106 53.0814 45.8463 175.9875 79 R 5.1278 9.0711 120.9252 54.4416 34.2605 173.8186 80 L 5.0809 9.1378 126.8612 53.6849 43.7995 175.5837 81 V 4.9852 8.8677 119.0283 59.6484 36.8265 175.1114 82 K 4.4361 9.0380 123.2856 54.6328 34.2421 176.4881 83 G 3.7982 8.7799 120.1292 46.5380 0.0000 173.5930 84 E 4.3204 8.8931 123.6858 56.6472 29.9539 175.7946 85 Q 4.2431 8.2892 122.4688 55.0996 29.7481 174.4054 86 I 4.6224 8.2556 126.5449 60.1573 37.8037 175.4801 87 L 4.1668 8.9861 127.3767 57.6554 42.1657 176.6250 88 D 4.6839 7.7481 115.8359 53.9822 44.6234 174.0670 89 S 5.3758 8.6840 114.3540 57.9210 65.7558 173.3556 90 T 4.7727 8.9049 114.7792 60.9628 71.0913 172.0783 91 E 4.9941 8.7753 124.8061 55.6835 32.7551 177.0324 92 G 4.0185 9.0708 108.4365 44.9824 0.0000 173.3460 93 V 3.7520 8.0279 118.9401 62.5174 32.0375 175.1894 94 I 4.6612 7.8418 119.2719 58.1273 40.6761 175.7081 95 S 4.3707 8.2236 116.3982 57.8087 65.0719 174.9706 96 K 3.8269 8.5554 123.0813 59.9237 31.8085 178.6293 97 D 4.3480 7.9977 118.5333 57.2728 40.7829 178.4764 98 K 3.9856 7.9853 119.9633 59.2865 32.1948 178.6188 99 L 3.9157 8.1831 120.8468 58.2212 42.0347 178.9860 100 L 4.2091 8.1823 119.0126 58.0583 41.5802 179.7541 101 S 4.3082 8.3049 115.1989 61.1934 61.5767 176.3737 102 F 4.1999 8.5158 123.8529 61.3331 39.0394 177.2993 103 L 3.9198 8.1816 118.4344 57.9017 41.2852 178.9959 104 D 4.3956 8.4842 119.2262 57.9055 40.5232 179.1284 105 T 3.7727 7.6408 115.0831 66.5048 68.4465 175.5482 106 H 4.5525 7.2194 116.6018 57.3229 29.5166 177.1679 107 L 4.1312 8.0907 120.0406 56.4925 41.5443 176.7527 108 N 4.5504 7.6470 120.6941 53.2360 38.7159 174.6142 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 S 8.19 4.45 0.00 4.11 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 2 K 8.01 3.88 0.00 1.93 1.83 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 3 G 7.74 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 0.00 0.00 0.00 0.00 4 V 8.34 4.57 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 5 I 8.34 4.51 1.88 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 1.23 0.55 0.91 0.00 0.00 6 T 8.54 4.92 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 1.35 0.00 0.00 7 I 8.60 4.94 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.93 0.00 0.00 8 T 8.26 4.89 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 1.24 0.00 0.00 9 D 9.20 4.45 0.00 2.74 2.81 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 10 A 7.52 4.15 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 11 E 8.11 4.51 0.00 2.08 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 2.26 2.31 0.00 12 F 7.96 4.01 0.00 3.24 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 13 E 8.29 3.87 0.00 2.17 1.96 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 2.38 2.41 0.00 14 S 7.88 4.15 0.00 4.05 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 0.00 15 E 8.26 4.08 0.00 1.98 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 2.42 2.45 0.00 16 V 7.51 3.98 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 0.00 0.00 0.87 0.00 0.00 0.66 0.00 0.00 17 L 7.21 3.92 0.00 1.85 1.70 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.78 4.40 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.35 7.81 19 A 7.46 4.18 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 20 E 8.62 4.09 0.00 1.91 1.97 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 2.27 2.38 0.00 21 Q 7.57 4.66 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 22 P 0.00 4.57 0.00 2.03 1.93 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 23 V 8.78 4.86 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 1.04 0.00 0.00 0.91 0.00 0.00 24 L 8.92 4.79 0.00 1.81 1.54 1.06 0.81 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 25 V 8.97 4.63 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 0.37 0.00 0.00 0.91 0.00 0.00 26 Y 8.67 5.37 0.00 2.97 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 27 F 9.37 5.29 0.00 2.95 2.81 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 28 W 8.22 5.38 0.00 3.25 2.25 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 29 A 7.89 3.97 -0.55 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 0.00 0.00 30 S 8.03 4.23 0.00 4.06 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 31 W 6.98 4.55 0.00 3.56 3.25 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 32 C 7.58 4.71 0.00 2.53 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 33 G 8.84 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 34 P 0.00 4.33 0.00 2.22 2.16 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 35 C 8.09 4.54 0.00 3.26 3.34 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 0.00 36 Q 8.09 3.86 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 37 L 7.55 4.15 0.00 1.77 1.71 0.93 0.73 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 38 M 7.86 4.06 0.00 1.68 2.14 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 39 S 8.04 3.85 0.00 3.78 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 40 P 0.00 4.17 0.00 2.13 2.02 0.00 3.61 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 2.06 2.07 0.00 41 L 7.69 3.91 0.00 1.65 1.65 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.67 3.58 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.77 0.00 0.00 43 N 7.92 4.24 0.00 2.93 2.88 0.00 0.00 6.78 6.08 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 44 L 7.80 3.86 0.00 1.73 1.83 0.90 1.14 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 45 A 8.06 4.11 1.45 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 0.00 0.00 46 A 7.81 3.99 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 47 N 8.04 4.69 0.00 2.90 2.85 0.00 0.00 6.46 7.23 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 48 T 8.00 3.77 4.28 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 0.59 0.00 0.00 49 Y 8.19 4.68 0.00 2.97 2.94 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 50 S 7.53 4.63 0.00 3.99 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 51 D 8.00 4.66 0.00 2.70 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 52 R 8.35 4.66 0.00 1.82 1.94 0.00 3.20 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 53 L 7.67 4.85 0.00 1.57 1.70 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.80 4.63 0.00 1.86 1.59 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.33 7.81 55 V 8.35 4.86 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 1.00 0.00 0.00 0.95 0.00 0.00 56 V 8.80 5.20 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 0.71 0.00 0.00 0.91 0.00 0.00 57 K 9.08 5.20 0.00 2.01 2.02 0.00 1.03 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.35 1.54 7.81 58 L 8.56 5.08 0.00 1.31 1.48 0.79 0.71 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 59 E 8.60 3.35 0.00 1.41 1.51 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 1.70 1.47 0.00 60 I 7.90 3.89 1.88 0.00 0.00 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 1.10 0.51 0.90 0.00 0.00 61 D 8.16 4.38 0.00 2.66 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 62 P 0.00 4.58 0.00 2.13 2.13 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 63 N 7.84 5.24 0.00 2.90 2.92 0.00 0.00 6.69 7.60 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 64 P 0.00 4.26 0.00 2.24 2.30 0.00 3.91 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 2.06 2.05 0.00 65 T 8.15 3.81 4.47 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 1.17 0.00 0.00 66 T 8.24 3.68 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 0.84 0.00 0.00 67 V 7.60 3.42 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 0.95 0.00 0.00 1.04 0.00 0.00 68 K 7.99 3.89 0.00 1.93 1.77 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.67 7.81 69 K 7.77 3.68 0.00 1.59 1.60 0.00 1.55 0.00 0.00 1.07 0.00 0.00 3.25 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.60 1.17 7.81 70 Y 7.45 4.48 0.00 2.92 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 71 K 7.69 3.59 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.31 7.81 72 V 7.62 3.73 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 0.46 0.00 0.00 -0.16 0.00 0.00 73 E 8.52 4.69 0.00 1.94 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 2.17 2.21 0.00 74 G 7.08 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 0.00 0.00 0.00 0.00 75 V 8.08 4.59 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 0.77 0.00 0.00 0.77 0.00 0.00 76 P 0.00 4.93 0.00 2.40 2.43 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 77 A 8.88 5.24 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 78 L 9.18 5.50 0.00 1.47 1.57 0.65 1.01 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 79 R 9.07 5.13 0.00 1.62 1.72 0.00 3.38 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 80 L 9.14 5.08 0.00 1.82 1.41 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.87 4.99 2.29 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 0.70 0.00 0.00 1.03 0.00 0.00 82 K 9.04 4.44 0.00 1.73 1.64 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.38 7.81 83 G 8.78 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 0.00 0.00 0.00 84 E 8.89 4.32 0.00 2.01 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 2.35 2.27 0.00 85 Q 8.29 4.24 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 86 I 8.26 4.62 1.96 0.00 0.00 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 1.72 0.89 1.01 0.00 0.00 87 L 8.99 4.17 0.00 1.32 1.46 0.84 1.03 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 88 D 7.75 4.68 0.00 2.11 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 0.00 0.00 0.00 89 S 8.68 5.38 0.00 4.04 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 90 T 8.90 4.77 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 0.78 0.00 0.00 91 E 8.78 4.99 0.00 1.86 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 2.21 2.23 0.00 92 G 9.07 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 93 V 8.03 3.75 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 0.84 0.00 0.00 0.96 0.00 0.00 94 I 7.84 4.66 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.89 0.00 0.00 95 S 8.22 4.37 0.00 4.06 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 96 K 8.56 3.83 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.55 7.81 97 D 8.00 4.35 0.00 2.74 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 98 K 7.99 3.99 0.00 1.86 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 99 L 8.18 3.92 0.00 1.73 1.84 0.86 0.79 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 0.00 100 L 8.18 4.21 0.00 1.98 1.81 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.30 4.31 0.00 3.96 3.95 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 0.00 102 F 8.52 4.20 0.00 3.18 3.27 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 0.00 103 L 8.18 3.92 0.00 1.63 1.07 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.48 4.40 0.00 2.73 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 0.00 105 T 7.64 3.77 4.12 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 1.01 0.00 0.00 106 H 7.22 4.55 0.00 3.11 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.09 4.13 0.00 1.56 1.72 0.60 1.02 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 0.00 108 N 7.65 4.55 0.00 2.76 2.71 0.00 0.00 6.88 7.56 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