NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6706 8.2076 120.1982 54.4456 42.4722 175.0361 2 N 5.1624 8.6376 120.2243 51.9761 39.1367 171.5786 3 I 4.7989 7.8640 119.5294 59.8678 40.9241 175.7491 4 L 4.5490 8.8344 130.3707 53.6915 43.4554 175.2097 5 Y 4.8499 9.1545 125.1140 56.8984 39.6201 175.7238 6 S 4.5358 8.8926 117.8458 60.3957 63.3359 174.9720 7 G 4.0034 9.6456 112.7759 45.0140 0.0000 172.4884 8 E 4.8335 8.0707 119.0756 55.2255 33.0315 175.0879 9 T 5.0528 8.1410 116.2532 62.6481 72.7178 173.6828 10 L 4.4616 9.2735 127.6402 54.2435 43.3334 177.3440 11 S 5.0945 9.2276 121.4691 57.4546 65.9134 173.6179 12 T 4.2921 8.4801 117.0463 65.5474 68.4609 175.9259 13 G 4.1137 9.3910 114.8350 45.5889 0.0000 173.5621 14 E 4.6214 8.1117 119.6345 56.4375 31.0357 175.4838 15 F 5.2283 7.6763 114.1793 56.5107 40.5813 173.1665 16 L 4.9357 8.9918 120.1364 53.9602 43.9352 175.4079 17 N 5.7102 9.0685 117.5088 52.7201 40.7127 173.5341 18 Y 4.5105 9.6858 119.7205 57.9222 43.4650 173.9097 19 G 3.4087 7.4034 116.2161 47.0465 0.0000 174.7375 20 S 4.4019 7.6026 118.9606 57.9731 63.6640 173.2227 21 F 5.4747 7.7400 122.2347 57.3667 40.4088 174.9575 22 V 4.8148 9.0566 122.6799 61.5685 34.8151 173.9996 23 F 5.2123 9.5720 132.0526 57.0507 39.6194 173.2075 24 I 4.8645 8.6410 125.9195 59.2507 40.6074 174.0560 25 M 4.5957 8.7301 129.6832 54.4029 32.6050 175.4737 26 Q 4.4971 8.5259 125.3853 55.0680 30.3367 177.2788 27 E 3.9187 8.9245 121.3982 59.5952 29.9289 178.0459 28 D 4.6031 8.0082 115.1944 53.9628 39.5136 177.4417 29 C 3.8268 8.0470 115.9417 57.6680 32.4149 171.9830 30 N 4.6605 8.0685 119.6632 51.7934 40.1825 173.7208 31 L 4.4214 7.9714 130.2705 54.4528 43.0995 175.5740 32 V 4.7020 8.4125 126.2841 60.8210 35.4161 173.7871 33 L 5.2875 8.8227 128.6901 53.8014 44.0957 174.6003 34 Y 5.1645 9.2049 124.3549 56.5082 41.2246 174.5574 35 D 5.5371 9.3027 123.3816 52.2817 41.7516 178.0614 36 V 3.5418 8.9647 129.5401 63.6492 31.0330 173.1215 37 D 4.6303 9.0791 116.5021 52.9675 40.2044 176.0180 38 K 4.4487 7.8425 121.5238 54.8875 32.9909 174.4908 39 P 4.5131 0.0000 0.0000 62.5916 32.1322 175.6003 40 I 4.4323 8.8027 122.7283 62.2456 39.4735 175.5581 41 W 5.2004 7.5888 128.9727 56.1643 33.4978 173.2031 42 A 5.1150 6.5549 121.1415 52.0423 21.1787 177.2680 43 T 2.7542 7.9516 109.8483 61.0040 69.6608 174.2047 44 N 3.9971 6.9472 119.2086 55.0959 36.7591 174.6168 45 T 4.4640 7.6274 104.1070 61.0401 69.3850 174.0090 46 G 3.7515 7.8272 111.1528 47.5218 0.0000 173.9921 47 G 4.0459 9.2279 112.7926 45.4281 0.0000 175.4305 48 L 4.2068 7.4717 118.1068 57.0224 41.9656 176.8939 49 S 4.5927 7.1317 110.9558 58.7935 67.7005 174.5686 50 R 4.9631 8.2723 119.1538 56.8605 33.2132 175.5245 51 S 4.0900 8.4722 117.1256 58.9766 60.5844 170.9865 52 C 5.0499 7.8623 116.8307 56.4757 41.5735 174.7193 53 F 5.2068 8.3221 114.1622 55.6237 41.1306 173.4820 54 L 4.8092 9.1995 125.8362 54.7840 43.5969 175.2387 55 S 5.2006 9.5943 120.7110 56.8384 65.9616 172.1146 56 M 4.7868 8.7259 127.7348 54.4830 33.0987 175.2528 57 Q 4.8296 8.7806 126.2521 55.1993 30.4278 177.7354 58 T 4.3183 8.6781 111.1423 64.3912 69.4051 175.7795 59 D 4.6439 8.1175 120.7386 54.1014 39.9364 177.5773 60 G 2.8447 7.8028 108.6239 44.4081 0.0000 172.9962 61 N 4.3654 8.4912 120.1920 52.9096 40.4504 173.6735 62 L 4.8136 8.8133 129.4335 54.0255 43.0814 174.8380 63 V 4.6157 8.5998 126.7704 60.8777 34.6708 174.4994 64 V 4.6303 8.8371 127.4865 61.7991 32.9765 174.1029 65 Y 5.0505 8.0355 126.2197 56.2302 40.8032 175.5335 66 N 5.0210 8.6857 119.8795 50.4752 39.3296 174.3496 67 P 4.5900 0.0000 0.0000 65.9972 31.1141 177.3285 68 S 4.3841 8.2387 112.2976 58.4316 62.8969 174.0892 69 N 4.4023 8.8357 117.0302 53.5873 36.6656 173.8176 70 K 4.3475 8.6302 121.5688 54.7687 32.9709 174.2790 71 P 4.6152 0.0000 0.0000 62.8881 31.8843 175.9951 72 I 4.1822 8.5647 124.4805 62.9542 38.2956 175.7434 73 W 5.1007 7.6540 129.0713 56.5254 34.1792 173.1513 74 A 4.3673 6.2422 122.6775 50.7621 20.6926 176.8352 75 S 3.5653 8.1865 114.8524 58.4951 64.3080 175.4500 76 N 4.2677 7.7642 116.6806 54.3766 36.1874 173.9357 77 T 4.3629 7.1618 107.1180 61.6897 69.2480 175.2773 78 G 3.7077 7.8917 110.3626 45.3274 0.0000 174.7311 79 G 4.5373 6.9104 117.3360 46.4505 0.0000 172.1735 80 Q 4.2007 7.5916 124.4569 54.1103 29.7465 175.7174 81 N 4.7588 8.9779 125.0943 52.9137 39.9799 174.9627 82 G 3.8652 8.1198 112.0478 46.3725 0.0000 170.6837 83 N 4.9335 7.6680 116.9151 52.2669 40.6505 174.1327 84 Y 5.3393 9.0963 119.7685 56.7211 43.4506 174.4668 85 V 4.9125 8.8307 112.8871 60.0601 36.6733 173.9711 86 C 5.1226 9.2278 125.5198 57.8018 33.6887 172.3183 87 I 4.7513 8.6385 127.5698 59.5247 39.8005 175.1634 88 L 4.7130 8.6675 130.6971 53.2468 40.7299 176.0386 89 Q 4.1574 8.5767 123.8786 55.1484 29.9450 177.8151 90 K 3.7458 8.4331 119.3211 58.8061 32.8527 177.2912 91 D 4.7343 7.9072 118.3057 52.7019 39.7860 175.9983 92 R 3.0011 7.6331 116.5306 57.5880 28.4417 175.9514 93 N 4.6963 7.4520 115.0600 51.7020 42.5913 173.2459 94 V 4.1088 8.0148 126.6355 62.0878 32.2603 175.1329 95 V 4.2882 8.4039 127.1696 61.0239 35.2280 173.8573 96 I 4.9004 7.8892 125.7918 59.8628 39.2780 174.6203 97 Y 4.9200 10.0267 123.0713 55.4821 42.0124 175.1930 98 G 4.4601 8.6369 112.8246 44.8604 0.0000 172.1443 99 T 4.2036 7.9082 110.6844 59.4584 70.1939 173.6994 100 D 4.5127 8.1571 121.0794 53.5559 40.1498 176.1119 101 R 4.3550 8.6712 121.3068 57.4317 31.2537 176.2121 102 W 5.2061 7.6779 123.5737 56.0858 33.7719 173.2213 103 A 3.8479 6.2953 121.7793 51.0018 21.0443 177.7013 104 T 3.2965 7.6428 110.8460 62.2048 69.3115 175.8782 105 G 3.7659 7.4080 111.0722 46.1609 0.0000 174.9501 106 T 4.0989 7.4372 107.6413 62.0442 68.7620 174.0379 107 H 3.8422 7.3156 121.9179 57.3233 30.3300 174.6874 108 T 4.0376 8.1044 121.1184 63.6684 68.5056 174.5272 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 D 8.21 4.67 0.00 2.80 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 2 N 8.64 5.16 0.00 2.94 3.37 0.00 0.00 5.84 6.73 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 3 I 7.86 4.80 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 -0.21 0.00 0.00 4 L 8.83 4.55 0.00 1.79 1.58 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.15 4.85 0.00 3.05 2.89 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 6 S 8.89 4.54 0.00 4.15 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 0.00 7 G 9.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.83 0.00 2.23 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 0.00 2.33 2.53 0.00 9 T 8.14 5.05 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 1.55 0.00 0.00 10 L 9.27 4.46 0.00 1.70 1.69 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 S 9.23 5.09 0.00 3.88 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 12 T 8.48 4.29 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 1.42 0.00 0.00 13 G 9.39 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 14 E 8.11 4.62 0.00 2.21 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 0.00 2.36 2.35 0.00 15 F 7.68 5.23 0.00 3.27 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 16 L 8.99 4.94 0.00 1.91 1.75 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.07 5.71 0.00 2.93 3.35 0.00 0.00 6.67 8.12 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 18 Y 9.69 4.51 0.00 3.08 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 19 G 7.40 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 0.00 0.00 0.00 20 S 7.60 4.40 0.00 3.98 3.98 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 21 F 7.74 5.47 0.00 3.28 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 22 V 9.06 4.81 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 0.94 0.00 0.00 0.93 0.00 0.00 23 F 9.57 5.21 0.00 3.18 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 24 I 8.64 4.86 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 1.19 1.64 1.19 0.00 0.00 25 M 8.73 4.60 0.00 2.49 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 26 Q 8.53 4.50 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 27 E 8.92 3.92 0.00 2.07 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 2.39 2.38 0.00 28 D 8.01 4.60 0.00 2.93 2.88 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 29 C 8.05 3.83 0.00 3.19 3.28 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 30 N 8.07 4.66 0.00 2.87 2.60 0.00 0.00 6.86 6.62 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 31 L 7.97 4.42 0.00 1.48 1.13 0.27 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.41 4.70 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 0.00 0.00 0.78 0.00 0.00 33 L 8.82 5.29 0.00 2.10 1.78 1.08 0.73 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 34 Y 9.20 5.16 0.00 2.95 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 D 9.30 5.54 0.00 2.79 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 36 V 8.96 3.54 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 0.79 0.00 0.00 0.98 0.00 0.00 37 D 9.08 4.63 0.00 2.80 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 38 K 7.84 4.45 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 P 0.00 4.51 0.00 1.98 1.76 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 40 I 8.80 4.43 2.03 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 1.34 0.90 0.93 0.00 0.00 41 W 7.59 5.20 0.00 3.29 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 42 A 6.55 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.95 2.75 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 -0.53 0.00 0.00 44 N 6.95 4.00 0.00 2.83 2.79 0.00 0.00 6.78 7.42 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 45 T 7.63 4.46 4.21 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 1.25 0.00 0.00 46 G 7.83 3.75 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 0.00 0.00 0.00 47 G 9.23 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 48 L 7.47 4.21 0.00 1.76 1.74 0.92 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 49 S 7.13 4.59 0.00 3.88 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 50 R 8.27 4.96 0.00 1.73 1.76 0.00 3.23 0.00 0.00 3.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 51 S 8.47 4.09 0.00 4.13 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 52 C 7.86 5.05 0.00 2.87 3.04 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 53 F 8.32 5.21 0.00 3.26 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 54 L 9.20 4.81 0.00 1.85 1.70 1.18 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.59 5.20 0.00 4.29 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 56 M 8.73 4.79 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 57 Q 8.78 4.83 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 58 T 8.68 4.32 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 1.34 0.00 0.00 59 D 8.12 4.64 0.00 2.87 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 60 G 7.80 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 0.00 0.00 0.00 61 N 8.49 4.37 0.00 2.74 2.63 0.00 0.00 6.65 7.07 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 62 L 8.81 4.81 0.00 1.82 1.62 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.60 4.62 1.74 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 -0.27 0.00 0.00 0.77 0.00 0.00 64 V 8.84 4.63 2.30 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 0.86 0.00 0.00 0.99 0.00 0.00 65 Y 8.04 5.05 0.00 1.45 2.37 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 66 N 8.69 5.02 0.00 2.99 2.97 0.00 0.00 6.93 7.38 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 67 P 0.00 4.59 0.00 2.28 2.36 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 68 S 8.24 4.38 0.00 4.06 3.98 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 69 N 8.84 4.40 0.00 2.88 2.94 0.00 0.00 6.85 7.94 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 70 K 8.63 4.35 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 P 0.00 4.62 0.00 2.03 1.77 0.00 3.88 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 72 I 8.56 4.18 1.88 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 1.09 0.84 0.93 0.00 0.00 73 W 7.65 5.10 0.00 3.31 2.93 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 74 A 6.24 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.19 3.57 0.00 3.78 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 76 N 7.76 4.27 0.00 2.76 2.85 0.00 0.00 6.94 7.70 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 77 T 7.16 4.36 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 1.16 0.00 0.00 78 G 7.89 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 79 G 6.91 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.59 4.20 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 81 N 8.98 4.76 0.00 2.76 2.75 0.00 0.00 7.08 7.98 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 82 G 8.12 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 0.00 0.00 0.00 83 N 7.67 4.93 0.00 2.76 2.70 0.00 0.00 6.61 7.48 0.00 0.00 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 Y 9.10 5.34 0.00 2.90 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 85 V 8.83 4.91 2.01 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 0.88 0.00 0.00 1.07 0.00 0.00 86 C 9.23 5.12 0.00 2.96 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 87 I 8.64 4.75 1.95 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 1.04 0.93 0.88 0.00 0.00 88 L 8.67 4.71 0.00 1.54 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.58 4.16 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 90 K 8.43 3.75 0.00 1.93 1.47 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.42 7.81 91 D 7.91 4.73 0.00 2.78 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 92 R 7.63 3.00 0.00 0.82 1.58 0.00 2.96 0.00 0.00 2.80 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 93 N 7.45 4.70 0.00 2.71 2.55 0.00 0.00 6.67 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 94 V 8.01 4.11 1.37 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 -0.17 0.00 0.00 0.18 0.00 0.00 95 V 8.40 4.29 1.85 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 0.22 0.00 0.00 0.74 0.00 0.00 96 I 7.89 4.90 1.73 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 1.27 0.62 0.86 0.00 0.00 97 Y 10.03 4.92 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 98 G 8.64 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.20 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 0.86 0.00 0.00 100 D 8.16 4.51 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.35 0.00 1.90 2.08 0.00 3.36 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 102 W 7.68 5.21 0.00 3.12 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 0.00 103 A 6.30 3.85 0.92 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 0.00 0.00 104 T 7.64 3.30 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 1.11 0.00 0.00 105 G 7.41 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 0.00 0.00 0.00 106 T 7.44 4.10 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 1.17 0.00 0.00 107 H 7.32 3.84 0.00 2.96 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.10 4.04 4.13 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 1.14 0.00 0.00