NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5302 8.1293 118.3835 57.9922 39.5112 174.7094 3 S 4.7185 8.2376 118.5021 55.4172 66.8819 174.2185 4 F 4.1912 9.5543 124.9229 61.7940 39.4719 178.0385 5 E 3.8077 8.3687 117.4629 59.6921 29.2549 179.3435 6 Q 4.0294 8.0955 117.2516 58.5216 28.7404 178.5475 7 A 4.0304 8.0611 121.9227 55.2165 18.4009 179.6563 8 I 3.4342 7.4127 118.2842 64.8133 37.1750 178.7077 9 T 3.6999 7.6500 116.4014 66.7471 67.7475 176.4350 10 Q 4.1840 8.1513 121.3886 58.9078 29.0956 177.8867 11 L 4.3332 8.0431 122.7567 57.8816 42.2035 178.8706 12 F 4.0969 8.8236 118.0042 60.9361 38.7155 177.8055 13 Q 4.1301 8.2917 117.4045 59.0401 27.9614 178.7294 14 Q 4.1644 8.3308 119.0250 58.0716 28.5688 177.4149 15 L 4.5043 7.7530 117.6947 53.5482 42.1936 176.4055 16 S 3.7759 7.6140 113.8924 59.6349 60.9032 171.9371 17 L 4.6514 8.1903 119.0918 52.4693 43.4073 177.2240 18 S 4.2438 8.4574 117.1082 58.4340 63.4903 173.8586 19 I 4.1530 8.2968 125.3405 59.8267 37.4908 174.1458 20 P 4.3571 0.0000 0.0000 62.6175 31.8087 176.0300 21 D 4.4575 8.8364 121.6406 56.8177 41.4010 176.7410 22 T 4.4657 7.5716 114.2695 61.5947 71.3367 173.5284 23 I 4.0401 8.2558 127.7807 59.8809 36.1825 175.6548 24 E 4.2856 8.4357 125.5674 55.1793 30.0290 176.8457 25 P 4.2102 0.0000 0.0000 64.8857 31.4681 176.3221 26 V 4.5436 7.2494 118.6825 61.2351 33.6838 174.7736 27 I 4.5266 9.1972 129.9849 59.8576 39.4003 175.1162 28 G 4.3693 8.7344 112.5943 44.3879 0.0000 172.3673 29 V 4.5024 8.8749 124.9332 60.7514 35.2677 174.0113 30 K 4.7460 8.5669 127.7679 54.7323 34.0338 175.4373 31 V 4.2153 8.7242 128.5921 61.6252 33.5832 175.8779 32 G 3.7978 8.2164 119.1444 47.0970 0.0000 174.6389 33 E 4.0780 8.7495 122.7839 56.0336 30.1843 175.5300 34 F 4.5474 8.0839 120.1939 55.9689 40.1213 174.4537 35 A 4.7294 8.6148 128.2067 51.3592 19.1236 176.1143 36 C 4.7947 9.3782 120.7664 59.2720 31.1279 172.9670 37 H 5.2215 8.6140 117.9296 53.9994 32.1946 172.6120 38 I 5.0580 8.7471 123.3731 60.0677 40.4881 174.5318 39 T 4.5805 8.9938 119.2753 61.4501 71.6792 171.7414 40 E 5.2241 7.8013 125.6706 54.7674 30.1809 174.8810 41 H 4.6130 8.3096 126.3382 54.9217 32.9265 172.0599 42 P 4.4366 0.0000 0.0000 61.8009 32.9461 174.9806 43 V 3.8642 8.0722 118.1937 64.8777 31.8355 176.8200 44 G 4.0473 9.8598 115.6747 44.9720 0.0000 172.2940 45 Q 4.9990 8.0025 118.5677 54.0135 32.6246 174.5746 46 I 4.5619 9.0853 125.4715 60.2393 38.6210 174.3215 47 L 5.2536 9.1411 130.6322 53.7343 44.2798 175.0712 48 M 5.4953 9.1120 124.9999 53.8014 35.9873 174.4423 49 F 5.6284 8.6607 115.9929 56.7021 41.9949 172.6767 50 T 4.9973 9.2893 113.3842 61.3119 71.4752 172.5645 51 L 5.0611 8.5925 125.7165 52.6168 42.4002 174.8411 52 P 4.7282 0.0000 0.0000 61.9228 32.9480 175.4923 53 S 4.6903 8.4712 114.1475 56.8353 63.9139 174.4988 54 L 4.4595 8.4308 125.4196 53.9248 42.8264 175.5089 55 D 4.9130 8.2776 119.5544 52.4994 42.7843 176.7140 56 N 4.3358 9.0648 124.4407 56.7234 38.8198 175.7939 57 N 4.3214 8.3935 114.2315 56.4394 38.8085 175.7189 58 D 4.3592 7.7295 117.8408 54.5519 41.2074 176.9271 59 E 4.4496 8.5272 124.1013 54.5716 32.4691 177.2743 60 K 3.8576 8.4512 119.0620 60.6482 32.2277 178.8061 61 E 3.9407 8.1127 119.2095 59.4403 29.2294 179.3999 62 T 3.8733 7.7509 113.9979 66.5013 68.7171 176.4121 63 L 4.2621 8.1981 121.1587 57.8591 41.7031 179.5594 64 L 4.0508 8.4682 119.1551 57.5573 41.0729 179.5874 65 S 4.1257 8.0477 115.3583 61.7087 62.4347 176.2081 66 H 4.2808 7.7259 117.9717 57.9669 28.4769 176.3797 67 N 4.6053 7.7649 116.3961 52.2396 39.1208 175.1801 68 I 3.6335 6.7119 121.4562 60.4053 38.6452 175.6750 69 F 4.5630 7.7506 121.8015 56.8599 38.8173 174.9268 70 S 4.6492 8.1320 114.9016 57.6053 65.0699 173.2534 71 Q 4.0942 8.7917 116.2996 57.6614 29.2317 174.8594 72 D 4.7042 7.9539 120.2088 52.4303 41.0883 176.5962 73 I 3.9698 8.2954 120.4594 62.5261 37.7932 176.5285 74 L 4.3680 8.2733 120.8264 54.5142 41.9041 176.7418 75 K 3.9483 7.7430 121.9281 55.6828 32.4754 174.7480 76 P 4.5204 0.0000 0.0000 62.9042 32.6274 175.3027 77 I 4.1803 8.1662 122.3576 59.3670 39.4090 174.4342 78 L 4.8450 8.3581 129.1564 54.2661 43.3548 175.4859 79 S 4.9513 9.1643 119.9122 57.0108 67.2093 172.0556 80 W 5.2436 8.7616 128.0413 56.0080 33.8269 174.7436 81 D 4.6074 8.6940 127.8821 52.4188 40.3078 176.1067 82 E 4.2687 9.1347 125.9032 59.2105 29.9775 178.4657 83 V 3.7325 8.0843 116.4872 65.7564 31.5318 176.8422 84 G 3.7378 8.0059 105.4254 45.1091 0.0000 173.4673 85 G 3.9901 8.1310 108.0202 47.0359 0.0000 173.3112 86 H 4.4320 6.9308 114.2725 52.5019 33.3301 171.6830 87 P 4.5163 0.0000 0.0000 62.4271 32.8076 175.5912 88 V 4.5798 8.9325 121.3627 61.2469 34.8073 173.6208 89 L 5.2588 9.0773 130.8102 53.3058 43.8311 175.1033 90 W 6.0136 8.7309 122.4589 55.3781 32.3010 173.1278 91 N 5.3423 9.3693 117.4885 51.9351 40.8785 172.8490 92 R 5.8203 8.7688 117.4865 56.4970 33.2511 173.5761 93 Q 4.7587 8.4533 120.7755 54.2235 32.3735 171.9171 94 P 4.8865 0.0000 0.0000 62.3754 32.1168 177.6149 95 L 3.9979 9.2229 126.0701 58.0540 42.1667 178.2055 96 N 4.7070 8.2025 113.6284 54.1346 37.4409 175.1931 97 S 4.7376 7.6324 112.6660 57.8567 63.6487 174.2573 98 L 4.0678 7.6553 121.3463 55.0636 41.8507 175.9593 99 D 5.2253 8.5345 121.3520 51.3331 42.2256 176.0406 100 N 4.5356 8.8390 114.5337 55.6980 38.6712 175.7016 101 N 4.8166 8.5824 113.4686 53.1775 39.6260 176.8422 102 S 4.0782 8.0150 116.4853 61.8903 62.9341 176.6519 103 L 4.0186 7.7966 120.9339 57.7128 41.3061 178.9033 104 Y 3.9410 7.9659 119.2330 60.9704 38.7851 177.8962 105 T 3.9980 8.0901 116.7421 66.6679 68.5813 176.3839 106 Q 3.9422 8.2789 121.5237 59.1315 29.1035 178.1603 107 L 3.8891 8.0103 121.3364 57.9475 42.0341 178.4099 108 E 3.8018 8.1992 119.3604 59.7270 29.5985 178.7720 109 M 3.9991 8.2814 118.8633 58.1162 31.9518 178.6370 110 L 3.8451 7.8596 120.4830 58.2614 42.2678 179.4929 111 V 3.2573 7.7079 112.3339 64.4251 31.5485 178.6189 112 Q 4.1641 8.2827 118.0687 58.8167 28.2297 179.2333 113 G 3.4854 7.6691 106.0128 47.4986 0.0000 175.4419 114 A 3.9810 7.6204 123.1137 54.9192 18.0724 179.5852 115 E 4.0905 7.7720 116.2742 59.6298 29.7312 179.4195 116 R 4.1355 7.8612 117.8877 59.1483 29.8187 179.0090 117 L 4.5014 7.2526 113.5172 55.2690 41.3060 177.2164 118 Q 4.2036 8.1869 124.6503 56.2042 29.6218 175.1449 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 2 Y 8.13 4.53 0.00 2.97 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 3 S 8.24 4.72 0.00 4.18 4.01 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 4 F 9.55 4.19 0.00 3.35 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 5 E 8.37 3.81 0.00 2.11 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 2.43 2.51 0.00 6 Q 8.10 4.03 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 7 A 8.06 4.03 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 8 I 7.41 3.43 1.36 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 0.54 -0.28 0.26 0.00 0.00 9 T 7.65 3.70 4.20 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 1.19 0.00 0.00 10 Q 8.15 4.18 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 11 L 8.04 4.33 0.00 1.93 2.00 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.82 4.10 0.00 3.17 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 13 Q 8.29 4.13 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 14 Q 8.33 4.16 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 15 L 7.75 4.50 0.00 1.64 1.57 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.61 3.78 0.00 3.96 3.94 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 17 L 8.19 4.65 0.00 1.35 1.29 0.12 0.76 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 18 S 8.46 4.24 0.00 4.02 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 19 I 8.30 4.15 1.90 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 1.51 0.63 0.86 0.00 0.00 20 P 0.00 4.36 0.00 2.02 2.00 0.00 3.47 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.21 0.00 21 D 8.84 4.46 0.00 2.64 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 22 T 7.57 4.47 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 1.30 0.00 0.00 23 I 8.26 4.04 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.82 0.00 0.00 24 E 8.44 4.29 0.00 2.05 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 2.42 2.27 0.00 25 P 0.00 4.21 0.00 2.09 2.13 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 26 V 7.25 4.54 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 0.88 0.00 0.00 0.95 0.00 0.00 27 I 9.20 4.53 2.00 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 1.41 0.59 1.11 0.00 0.00 28 G 8.73 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.50 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 0.75 0.00 0.00 0.85 0.00 0.00 30 K 8.57 4.75 0.00 1.71 1.62 0.00 1.80 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.42 7.81 31 V 8.72 4.22 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 0.91 0.00 0.00 0.85 0.00 0.00 32 G 8.22 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 33 E 8.75 4.08 0.00 1.72 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 1.47 1.47 0.00 34 F 8.08 4.55 0.00 3.15 3.02 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 35 A 8.61 4.73 1.23 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 0.00 0.00 36 C 9.38 4.79 0.00 2.76 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 37 H 8.61 5.22 0.00 1.44 2.72 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.75 5.06 2.00 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 1.13 0.78 1.06 0.00 0.00 39 T 8.99 4.58 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 1.33 0.00 0.00 40 E 7.80 5.22 0.00 1.63 1.55 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 2.30 2.27 0.00 41 H 8.31 4.61 0.00 3.06 3.11 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.44 0.00 2.19 2.07 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 43 V 8.07 3.86 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 0.80 0.00 0.00 0.91 0.00 0.00 44 G 9.86 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 45 Q 8.00 5.00 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 46 I 9.09 4.56 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 1.04 0.00 0.00 47 L 9.14 5.25 0.00 1.92 1.77 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 M 9.11 5.50 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 49 F 8.66 5.63 0.00 3.32 3.29 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 50 T 9.29 5.00 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 1.26 0.00 0.00 51 L 8.59 5.06 0.00 1.58 1.61 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.73 0.00 2.26 2.15 0.00 3.96 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 2.04 2.03 0.00 53 S 8.47 4.69 0.00 3.91 3.87 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 54 L 8.43 4.46 0.00 1.79 1.70 1.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.28 4.91 0.00 2.70 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 56 N 9.06 4.34 0.00 2.77 2.89 0.00 0.00 7.07 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 57 N 8.39 4.32 0.00 2.82 2.93 0.00 0.00 7.14 8.19 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 58 D 7.73 4.36 0.00 2.85 2.66 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 59 E 8.53 4.45 0.00 1.99 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 2.51 0.00 60 K 8.45 3.86 0.00 1.95 2.05 0.00 1.49 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 61 E 8.11 3.94 0.00 2.06 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 2.38 2.45 0.00 62 T 7.75 3.87 4.37 0.00 0.00 0.00 0.00 0.00 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 63 L 8.20 4.26 0.00 1.85 1.77 0.95 0.72 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 64 L 8.47 4.05 0.00 1.68 1.71 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.05 4.13 0.00 3.90 3.81 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 66 H 7.73 4.28 0.00 3.20 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.76 4.61 0.00 2.83 2.82 0.00 0.00 6.92 7.61 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 68 I 6.71 3.63 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.09 0.78 0.00 0.00 69 F 7.75 4.56 0.00 3.14 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 70 S 8.13 4.65 0.00 3.95 3.87 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 71 Q 8.79 4.09 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 72 D 7.95 4.70 0.00 2.72 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 73 I 8.30 3.97 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.92 0.00 0.00 74 L 8.27 4.37 0.00 1.79 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.74 3.95 0.00 1.79 1.69 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.34 7.81 76 P 0.00 4.52 0.00 1.99 1.95 0.00 3.71 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 1.89 2.05 0.00 77 I 8.17 4.18 0.56 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 0.19 0.07 0.72 0.00 0.00 78 L 8.36 4.84 0.00 1.62 1.58 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.16 4.95 0.00 4.10 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 80 W 8.76 5.24 0.00 3.47 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 81 D 8.69 4.61 0.00 2.61 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 82 E 9.13 4.27 0.00 2.14 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 2.38 2.46 0.00 83 V 8.08 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 0.83 0.00 0.00 0.93 0.00 0.00 84 G 8.01 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 85 G 8.13 3.99 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 0.00 0.00 0.00 86 H 6.93 4.43 0.00 2.75 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.52 0.00 2.14 2.20 0.00 3.42 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 88 V 8.93 4.58 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 nan 0.00 0.00 0.80 0.00 0.00 89 L 9.08 5.26 0.00 1.83 1.57 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.73 6.01 0.00 3.73 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 91 N 9.37 5.34 0.00 2.83 2.85 0.00 0.00 6.72 7.01 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 92 R 8.77 5.82 0.00 2.18 2.15 0.00 3.09 0.00 0.00 3.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 93 Q 8.45 4.76 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 94 P 0.00 4.89 0.00 2.22 2.04 0.00 3.62 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 2.13 2.10 0.00 95 L 9.22 4.00 0.00 1.74 1.82 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.20 4.71 0.00 2.89 2.97 0.00 0.00 5.79 7.64 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 97 S 7.63 4.74 0.00 3.93 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 98 L 7.66 4.07 0.00 1.26 1.20 0.70 0.88 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 99 D 8.53 5.23 0.00 2.86 2.80 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 0.00 100 N 8.84 4.54 0.00 2.74 3.09 0.00 0.00 7.19 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 0.00 101 N 8.58 4.82 0.00 2.73 2.76 0.00 0.00 6.93 8.35 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 0.00 102 S 8.02 4.08 0.00 3.72 4.06 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 0.00 103 L 7.80 4.02 0.00 1.69 1.73 0.89 0.75 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 0.00 104 Y 7.97 3.94 0.00 3.18 3.02 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 0.00 105 T 8.09 4.00 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 106 Q 8.28 3.94 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 107 L 8.01 3.89 0.00 1.80 1.61 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.20 3.80 0.00 2.08 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 0.00 2.31 2.33 0.00 109 M 8.28 4.00 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.83 0.00 110 L 7.86 3.85 0.00 1.75 1.77 0.95 0.77 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 0.00 111 V 7.71 3.26 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 0.71 0.00 0.00 0.91 0.00 0.00 112 Q 8.28 4.16 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 113 G 7.67 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.62 3.98 0.58 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 0.00 115 E 7.77 4.09 0.00 2.00 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 0.00 2.60 2.30 0.00 116 R 7.86 4.14 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 117 L 7.25 4.50 0.00 1.82 1.69 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.19 4.20 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00