NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4009 8.3044 120.3458 55.6286 33.1221 174.6203 2 E 4.3542 8.5741 124.3270 54.4003 30.9397 173.5644 3 N 4.3250 8.6801 118.9283 53.9088 40.7252 173.9704 4 K 4.1271 8.2178 124.8656 56.4725 33.9538 175.6167 5 I 5.3364 8.0743 119.9672 60.1925 41.8291 174.5067 6 I 5.1860 9.0438 124.7546 59.8228 42.1764 172.9360 7 Y 5.4980 8.4228 127.3729 55.9444 42.5257 173.7270 8 F 5.3341 8.8986 123.7122 55.6455 42.4469 174.2272 9 L 5.3771 8.8316 122.5504 52.1955 45.7419 175.4290 10 C 5.0464 8.3041 118.7498 58.0342 32.7964 174.6416 11 T 3.9274 8.6828 109.3435 65.1151 69.0151 174.3834 12 G 4.3018 7.7027 106.3156 43.9260 0.0000 173.3625 13 N 4.9853 8.6328 123.2921 52.7943 36.6525 175.9089 14 S 4.9136 8.0787 114.5942 58.2704 67.1767 175.7925 15 C 5.0783 8.2312 113.2714 59.8233 29.6128 176.0927 16 R 4.0499 9.3271 124.2270 60.1786 30.1048 178.1895 17 S 4.1884 8.1179 113.3339 61.3964 63.1627 176.2186 18 Q 4.0651 8.1173 121.1255 59.1748 28.6343 178.5171 19 M 4.0817 8.3996 119.5190 58.3840 31.9420 178.7498 20 A 3.9333 8.2728 121.1121 55.0067 18.3717 179.1065 21 E 4.0627 8.1570 117.9820 59.3835 29.4155 179.1217 22 G 3.5928 7.8710 105.4515 47.8321 0.0000 175.6472 23 W 4.0660 8.1847 121.7123 59.1863 29.0299 178.5733 24 A 4.2563 8.5774 121.1818 55.1787 16.7989 179.5241 25 K 3.8744 8.4319 117.3071 60.1466 31.9827 179.2393 26 Q 3.7632 7.5565 117.6206 59.2768 28.4442 178.4048 27 Y 4.3185 7.8399 117.2731 61.0236 38.4027 177.8848 28 L 4.2981 8.7176 118.6328 54.4949 41.5709 177.7459 29 G 3.7187 8.3637 106.7663 46.1905 0.0000 173.6190 30 D 4.5710 7.8623 115.7834 54.6305 40.7157 174.7027 31 E 4.5145 8.2678 115.9340 57.4740 29.5412 176.0920 32 W 5.2965 7.9629 118.0273 54.5339 32.5155 175.6025 33 K 4.1143 9.4732 125.2425 56.5890 31.4923 176.2309 34 V 4.3552 8.0181 125.0927 62.9150 32.6360 174.4248 35 Y 5.2570 8.8731 123.3181 57.0616 42.9889 173.7376 36 S 5.3792 8.9063 113.7585 57.9358 66.7427 173.3204 37 A 4.6198 7.5931 120.7386 54.4755 22.6943 174.5727 38 G 4.2119 8.1218 101.2838 46.2790 0.0000 174.5782 39 I 4.1032 8.3661 120.5650 64.0750 37.6341 176.1753 40 E 4.8540 7.9961 118.3008 55.1501 33.7169 174.3771 41 A 4.8489 8.1022 121.2046 51.6018 21.9720 175.7722 42 H 4.7987 8.5324 119.4931 55.4311 30.8256 173.8389 43 G 3.9966 8.4842 105.7175 44.7761 0.0000 173.3422 44 L 4.6291 7.8783 118.7033 54.1140 42.1931 176.0777 45 N 4.5388 8.9214 120.0871 52.7309 39.7350 174.2044 46 P 4.1888 0.0000 0.0000 66.0580 31.2820 178.5853 47 N 4.0113 8.4239 115.1790 55.6554 38.2183 177.4059 48 A 4.1815 7.3495 121.9166 55.0583 18.5383 179.4904 49 V 3.5075 7.7180 116.7133 66.2101 31.6183 178.2876 50 K 3.8499 8.1014 117.8887 59.4116 30.5559 179.0526 51 A 4.3085 8.6687 121.3345 55.7943 18.3067 179.6982 52 M 4.1362 8.2538 117.0914 58.3603 32.1036 179.2027 53 K 4.0282 8.3305 118.7613 59.1496 31.9510 178.7072 54 E 4.2009 8.2470 118.4615 57.9335 29.6629 177.9102 55 V 4.3853 7.0422 110.0375 60.5317 32.6822 175.6478 56 G 3.7621 7.9610 106.2005 46.4330 0.0000 173.5396 57 I 4.4116 7.4466 118.5604 58.8257 40.2304 174.7215 58 D 4.9173 8.2553 120.6776 52.5699 43.8945 175.4373 59 I 4.5823 7.9782 115.5399 60.1870 39.0306 177.1921 60 S 4.1311 8.5193 117.5162 61.8415 62.7553 175.1667 61 N 4.4405 8.4590 117.9693 55.3988 39.1934 174.5741 62 Q 4.7607 7.6911 115.7744 54.5996 28.5878 176.1642 63 T 3.8728 7.9336 106.5772 62.9654 69.3559 174.4171 64 S 4.9359 8.4221 119.7777 58.9561 63.4307 172.8063 65 D 4.8844 8.3257 120.2830 52.8491 44.6391 174.4725 66 I 4.1484 8.2563 116.7981 60.2696 38.8715 175.4349 67 I 4.0165 7.6912 122.2253 61.9621 37.7199 175.6610 68 D 4.8379 9.0319 123.9697 52.2454 44.2726 176.6071 69 S 4.1379 8.7655 121.3138 61.7761 62.9836 175.8884 70 D 4.4115 8.4998 118.3193 55.7395 41.4865 176.3018 71 I 3.9655 7.2950 117.9215 62.8399 39.4549 177.4096 72 L 4.1591 7.8827 119.5700 58.4683 40.0795 177.6183 73 N 4.7757 7.7052 113.4945 52.2933 37.6645 174.7249 74 N 4.7554 7.6335 115.7605 53.8076 41.2373 174.5230 75 A 4.0735 8.1969 121.6333 52.2433 18.7672 177.0422 76 D 4.5693 8.7460 123.1035 56.7584 42.1853 176.2145 77 L 4.9326 7.8833 119.1200 53.4696 45.9756 174.6762 78 V 4.7984 8.5489 124.6772 61.0652 35.0330 174.3130 79 V 4.7179 8.2563 125.5040 61.2257 34.6973 173.9891 80 T 4.7672 8.6828 118.3426 60.0170 71.1121 174.9064 81 L 4.9136 8.5475 124.0245 53.5900 43.4786 173.5859 82 C 4.5696 8.0678 115.7058 55.9962 41.6460 174.7904 83 G 3.9491 8.0433 113.2338 45.0199 0.0000 171.8759 84 D 5.2726 8.0289 119.7078 49.8656 42.0345 176.3396 85 A 3.8894 8.6580 120.5444 54.4240 18.5403 178.1870 86 A 4.3846 8.6890 118.1979 52.4281 20.0724 176.8236 87 D 4.4130 7.9434 111.2792 54.9824 40.3110 175.7725 88 K 4.0111 8.3009 117.5210 57.4333 32.3188 177.7375 89 C 4.2006 7.5003 111.4565 56.3449 37.3391 169.9965 90 P 4.2752 0.0000 0.0000 62.8987 31.6327 176.5421 91 M 4.2786 8.4731 122.1080 55.5336 32.5959 175.7305 92 T 4.7613 7.9662 111.1426 58.6907 72.2440 171.8239 93 P 4.4506 0.0000 0.0000 62.0247 31.9954 175.8202 94 P 4.3275 0.0000 0.0000 65.5323 31.6689 177.1449 95 H 4.2336 8.2619 117.9679 57.9879 30.0944 174.9238 96 V 4.2610 7.1068 118.7293 60.5242 33.0048 175.1721 97 K 4.1716 8.4271 127.4660 56.8618 33.1466 175.3305 98 R 5.1873 8.5057 125.6139 54.7292 33.6160 173.5998 99 E 4.9297 8.9439 122.2594 54.8080 34.1626 174.5887 100 H 5.0689 8.9390 120.1568 54.0469 32.2624 173.6540 101 W 4.8383 8.6010 128.4900 55.3212 28.4288 175.9192 102 G 3.5848 7.5992 107.1737 45.6070 0.0000 172.5286 103 F 5.0247 7.4161 117.4645 55.5230 41.2624 173.6000 104 D 4.4174 8.7248 119.4226 53.8848 41.8729 174.9638 105 D 4.5426 8.5281 125.5526 53.3565 41.8252 175.4124 106 P 3.9088 0.0000 0.0000 65.2386 31.3924 178.0429 107 A 4.2815 8.0279 121.1106 54.0706 18.3270 177.9901 108 R 4.4106 7.7701 113.1441 55.8432 31.3624 177.0752 109 A 4.0532 7.3341 122.7823 51.3626 16.4204 178.2815 110 Q 4.1153 7.7929 120.8753 55.1131 29.9389 177.7067 111 G 4.6115 8.2656 121.3219 45.2338 0.0000 172.9345 112 T 4.4222 6.7276 112.7060 59.2651 71.4039 173.6106 113 E 4.0919 8.6638 122.1698 59.4714 29.3552 178.8375 114 E 4.1400 8.2418 119.9633 59.0769 29.7281 178.2417 115 E 4.0214 8.1648 119.0373 59.0521 29.7722 178.5381 116 K 4.1168 8.5958 119.0161 59.5429 32.3590 178.9127 117 W 4.7315 8.8810 128.5667 60.7482 30.5932 177.7995 118 A 3.5487 8.3764 120.8074 55.1012 17.8066 179.6977 119 F 3.9151 8.6356 116.5773 60.2241 38.7982 177.9762 120 F 4.0158 8.5552 118.2784 60.6610 38.8292 177.6920 121 Q 3.9205 7.5648 116.8816 59.0536 28.2083 178.7950 122 R 3.7142 7.7994 119.9657 59.1672 30.0731 179.2126 123 V 3.3238 8.1619 118.4061 65.5830 31.3536 177.7736 124 R 4.0566 8.3349 119.0267 59.7366 29.8960 177.9708 125 D 4.1521 8.1460 117.5039 57.3808 41.2428 178.0688 126 E 3.7227 8.0871 119.1015 59.1573 29.2993 179.3181 127 I 3.7040 7.6630 120.2083 64.2872 37.1217 178.4440 128 G 2.1116 7.1602 106.5327 47.3239 0.0000 175.2281 129 N 4.0312 7.6757 118.9815 56.1502 38.5178 177.8835 130 R 3.6824 7.7490 119.1382 58.7078 29.9730 178.9255 131 L 4.3029 8.2879 120.9501 57.8259 42.0203 178.7144 132 K 2.7423 7.5432 119.8239 59.3917 32.0414 178.6481 133 E 3.8542 7.9757 118.6068 59.2512 28.9722 179.1288 134 F 4.3782 8.6715 120.8949 61.1853 39.2286 177.0128 135 A 3.7031 7.8579 119.6305 54.3086 18.4388 178.6032 136 E 4.1734 8.1868 117.0910 58.1198 30.1996 177.0583 137 T 4.3189 8.2055 106.6450 60.6147 70.6392 175.2690 138 G 3.8729 8.2783 108.9081 45.3749 0.0000 173.4509 139 K 4.2344 7.6200 123.2689 56.5528 31.9531 176.8508 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 4.40 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 2 E 8.57 4.35 0.00 1.93 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 2.12 2.34 0.00 3 N 8.68 4.33 0.00 2.82 2.65 0.00 0.00 7.22 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 4 K 8.22 4.13 0.00 1.12 1.44 0.00 0.93 0.00 0.00 0.97 0.00 0.00 2.63 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.89 7.81 5 I 8.07 5.34 1.91 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 1.28 0.72 1.08 0.00 0.00 6 I 9.04 5.19 2.20 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 1.26 1.05 0.00 0.00 7 Y 8.42 5.50 0.00 2.83 2.58 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 8 F 8.90 5.33 0.00 3.01 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 9 L 8.83 5.38 0.00 1.48 1.34 0.73 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.30 5.05 0.00 2.95 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 11 T 8.68 3.93 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 12 G 7.70 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 0.00 0.00 0.00 0.00 13 N 8.63 4.99 0.00 2.82 2.78 0.00 0.00 6.98 7.95 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 14 S 8.08 4.91 0.00 3.96 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 15 C 8.23 5.08 0.00 3.17 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 16 R 9.33 4.05 0.00 1.98 2.26 0.00 3.50 0.00 0.00 3.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 17 S 8.12 4.19 0.00 4.29 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 18 Q 8.12 4.07 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.38 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 19 M 8.40 4.08 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.70 0.00 20 A 8.27 3.93 0.76 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 0.00 0.00 21 E 8.16 4.06 0.00 2.27 2.22 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 2.46 2.51 0.00 22 G 7.87 3.59 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 0.00 0.00 0.00 23 W 8.18 4.07 0.00 3.60 3.46 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 24 A 8.58 4.26 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.43 3.87 0.00 1.95 1.89 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.71 7.81 26 Q 7.56 3.76 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 27 Y 7.84 4.32 0.00 3.09 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 28 L 8.72 4.30 0.00 1.81 1.54 0.77 -0.04 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 29 G 8.36 3.72 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 0.00 0.00 0.00 30 D 7.86 4.57 0.00 3.14 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 31 E 8.27 4.51 0.00 2.48 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 2.42 2.53 0.00 32 W 7.96 5.30 0.00 3.12 3.18 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 33 K 9.47 4.11 0.00 1.76 1.79 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.62 7.81 34 V 8.02 4.36 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 1.09 0.00 0.00 1.10 0.00 0.00 35 Y 8.87 5.26 0.00 2.95 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 36 S 8.91 5.38 0.00 4.06 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 0.00 37 A 7.59 4.62 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 38 G 8.12 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 0.00 0.00 0.00 0.00 39 I 8.37 4.10 2.01 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 1.27 0.55 0.91 0.00 0.00 40 E 8.00 4.85 0.00 1.93 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 2.30 0.00 41 A 8.10 4.85 1.24 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 42 H 8.53 4.80 0.00 3.16 3.25 0.00 5.82 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 43 G 8.48 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 44 L 7.88 4.63 0.00 1.81 1.72 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.92 4.54 0.00 2.98 2.84 0.00 0.00 7.52 8.42 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 46 P 0.00 4.19 0.00 2.05 1.99 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 47 N 8.42 4.01 0.00 1.44 1.93 0.00 0.00 6.79 8.23 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 A 7.35 4.18 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.72 3.51 2.17 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 1.00 0.00 0.00 0.97 0.00 0.00 50 K 8.10 3.85 0.00 1.74 1.55 0.00 1.29 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.32 7.81 51 A 8.67 4.31 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 0.00 0.00 52 M 8.25 4.14 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.88 0.00 53 K 8.33 4.03 0.00 2.04 1.85 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 E 8.25 4.20 0.00 2.30 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 0.00 2.40 2.45 0.00 55 V 7.04 4.39 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 1.02 0.00 0.00 0.45 0.00 0.00 56 G 7.96 3.76 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 0.00 0.00 0.00 57 I 7.45 4.41 1.53 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.29 0.61 0.00 0.00 58 D 8.26 4.92 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 4.58 1.87 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 1.38 0.68 0.96 0.00 0.00 60 S 8.52 4.13 0.00 3.86 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 61 N 8.46 4.44 0.00 2.72 2.89 0.00 0.00 7.00 6.35 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 62 Q 7.69 4.76 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 63 T 7.93 3.87 4.27 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 1.29 0.00 0.00 64 S 8.42 4.94 0.00 3.97 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 65 D 8.33 4.88 0.00 2.81 2.51 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 0.00 0.00 0.00 66 I 8.26 4.15 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 1.35 0.98 0.99 0.00 0.00 67 I 7.69 4.02 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.62 1.02 0.00 0.00 68 D 9.03 4.84 0.00 2.64 2.38 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 69 S 8.77 4.14 0.00 3.89 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 70 D 8.50 4.41 0.00 2.54 2.58 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 71 I 7.29 3.97 0.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.16 -0.39 0.00 0.00 72 L 7.88 4.16 0.00 1.87 2.02 0.94 0.88 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 73 N 7.71 4.78 0.00 2.81 2.94 0.00 0.00 7.00 7.78 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 74 N 7.63 4.76 0.00 2.56 2.90 0.00 0.00 7.27 7.93 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 75 A 8.20 4.07 1.27 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 0.00 0.00 76 D 8.75 4.57 0.00 2.67 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 77 L 7.88 4.93 0.00 1.95 1.57 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.55 4.80 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 0.93 0.00 0.00 1.03 0.00 0.00 79 V 8.26 4.72 1.78 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 0.09 0.00 0.00 0.25 0.00 0.00 80 T 8.68 4.77 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 1.19 0.00 0.00 81 L 8.55 4.91 0.00 1.67 1.58 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.07 4.57 0.00 3.22 3.22 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 83 G 8.04 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 0.00 0.00 0.00 84 D 8.03 5.27 0.00 2.88 2.86 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 0.00 0.00 0.00 85 A 8.66 3.89 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 86 A 8.69 4.38 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 87 D 7.94 4.41 0.00 3.17 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 88 K 8.30 4.01 0.00 1.78 1.85 0.00 2.10 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 89 C 7.50 4.20 0.00 3.19 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 90 P 0.00 4.28 0.00 1.95 1.97 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 91 M 8.47 4.28 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 92 T 7.97 4.76 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 1.24 0.00 0.00 93 P 0.00 4.45 0.00 2.27 2.23 0.00 3.72 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 2.10 2.11 0.00 94 P 0.00 4.33 0.00 2.21 2.23 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 95 H 8.26 4.23 0.00 3.11 3.39 0.00 5.91 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.11 4.26 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 0.94 0.00 0.00 1.03 0.00 0.00 97 K 8.43 4.17 0.00 1.90 1.85 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.49 7.81 98 R 8.51 5.19 0.00 1.79 1.72 0.00 3.21 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 99 E 8.94 4.93 0.00 1.65 1.67 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 2.28 2.42 0.00 100 H 8.94 5.07 0.00 3.08 3.20 0.00 5.86 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 0.00 101 W 8.60 4.84 0.00 3.00 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 0.00 102 G 7.60 3.58 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 0.00 103 F 7.42 5.02 0.00 3.07 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 0.00 104 D 8.72 4.42 0.00 2.71 2.44 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 0.00 105 D 8.53 4.54 0.00 2.71 2.49 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 0.00 106 P 0.00 3.91 0.00 0.49 1.93 0.00 3.56 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 0.95 1.52 0.00 107 A 8.03 4.28 1.47 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 0.00 0.00 108 R 7.77 4.41 0.00 1.83 1.90 0.00 3.15 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 109 A 7.33 4.05 0.96 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 0.00 0.00 110 Q 7.79 4.12 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 111 G 8.27 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 6.73 4.42 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 1.31 0.00 0.00 113 E 8.66 4.09 0.00 2.30 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 0.00 2.41 2.43 0.00 114 E 8.24 4.14 0.00 2.16 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 2.48 2.53 0.00 115 E 8.16 4.02 0.00 2.23 2.28 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 2.54 2.79 0.00 116 K 8.60 4.12 0.00 2.21 2.20 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.76 7.81 117 W 8.88 4.73 0.00 3.41 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.38 3.55 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 0.00 119 F 8.64 3.92 0.00 3.27 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 0.00 120 F 8.56 4.02 0.00 3.40 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 0.00 121 Q 7.56 3.92 0.00 2.06 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.36 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 122 R 7.80 3.71 0.00 1.85 1.85 0.00 2.21 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 123 V 8.16 3.32 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 0.78 0.00 0.00 0.98 0.00 0.00 124 R 8.33 4.06 0.00 2.14 2.29 0.00 3.43 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 125 D 8.15 4.15 0.00 2.85 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 0.00 126 E 8.09 3.72 0.00 1.71 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 2.17 2.32 0.00 127 I 7.66 3.70 2.00 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 1.53 0.16 1.02 0.00 0.00 128 G 7.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.68 4.03 0.00 2.65 2.66 0.00 0.00 7.11 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.75 3.68 0.00 1.42 0.66 0.00 2.98 0.00 0.00 2.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 131 L 8.29 4.30 0.00 1.99 1.89 1.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.54 2.74 0.00 0.79 1.54 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.16 7.81 133 E 7.98 3.85 0.00 2.07 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 2.22 2.34 0.00 134 F 8.67 4.38 0.00 3.55 3.50 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 0.00 0.00 0.00 0.00 135 A 7.86 3.70 1.34 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 0.00 0.00 136 E 8.19 4.17 0.00 1.92 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 2.25 2.29 0.00 137 T 8.21 4.32 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 1.17 0.00 0.00 138 G 8.28 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 0.00 139 K 7.62 4.23 0.00 1.81 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.39 7.81