NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4417 8.1476 120.3246 55.4008 33.5269 175.7041 2 S 4.2726 8.3632 116.0970 58.3629 63.4092 174.5184 3 D 4.1650 7.9710 123.0426 57.5285 41.6025 178.6812 4 L 3.9055 7.7953 120.3527 58.2740 42.2822 178.1009 5 D 4.3596 7.7593 117.3521 57.3491 40.9998 178.3770 6 R 3.5195 7.8888 119.0571 59.1998 30.1272 178.4380 7 L 3.8840 7.8888 118.4995 57.9202 41.5754 179.5234 8 A 4.0514 8.6523 120.7893 55.0891 18.2437 179.8589 9 S 4.1279 8.0923 113.5988 61.4266 62.9732 176.7134 10 R 3.6960 8.1644 120.7727 59.2101 29.7794 178.7975 11 A 3.8447 7.7943 119.8357 55.2402 18.3689 179.5450 12 A 3.8356 7.5906 118.9476 55.3178 18.3522 179.9978 13 I 2.9921 7.2489 118.2612 64.0318 36.9134 178.3598 14 Q 3.8210 7.9317 119.3213 59.3345 28.5106 179.0800 15 D 4.3147 8.1355 119.6095 57.1338 40.8707 178.8892 16 L 3.8553 7.8123 119.6515 57.8679 41.2583 178.7844 17 Y 4.1491 8.1861 119.6891 60.8947 38.6776 178.3961 18 S 3.9970 8.4951 116.1308 61.8686 62.9379 176.1098 19 D 4.3210 8.2147 121.7919 57.5257 40.6905 179.3011 20 K 3.5990 7.7310 119.3078 59.3439 32.0980 178.8478 21 L 3.7541 7.1044 118.7051 57.8333 41.4843 179.4761 22 I 3.6256 7.8343 119.5776 64.4848 36.9636 178.4234 23 A 3.8233 8.2769 121.7911 55.0105 17.9004 179.9572 24 V 3.9939 7.7865 116.5728 66.3971 31.4438 178.1089 25 D 4.3000 8.1449 117.5450 56.8952 40.9454 178.1205 26 K 4.1235 8.6049 116.4370 55.3116 33.3787 176.6016 27 R 2.8619 7.2412 117.0747 57.2593 27.6638 177.9400 28 Q 4.4502 8.2112 117.7922 54.1772 29.7769 177.1764 29 E 4.3967 8.8286 124.3563 59.4008 29.4255 179.5507 30 G 3.6599 8.0352 104.4187 47.6411 0.0000 175.3055 31 R 4.0729 7.9558 120.5704 58.8249 30.0015 178.0217 32 L 4.0081 7.9522 119.2185 58.3450 42.6298 178.7378 33 A 4.3936 8.2381 120.7753 54.8586 18.1208 179.1923 34 S 4.3350 7.7167 110.2420 60.0441 63.4767 174.6789 35 I 4.0553 7.1513 114.6214 60.4794 38.8488 175.0634 36 W 5.0972 7.6985 122.5057 54.6316 31.6013 175.7960 37 W 4.7621 8.5203 122.9905 56.5336 29.5349 177.1714 38 D 4.4995 9.3458 121.9294 57.5214 40.3183 177.6262 39 D 4.6789 8.1736 114.8621 53.2948 40.3953 176.3301 40 A 5.1847 8.0019 123.1033 52.1639 20.0995 176.5702 41 E 5.0110 8.9291 118.9956 54.4460 33.4656 174.6247 42 W 5.2165 9.3874 135.0000 56.2293 32.3943 174.6697 43 T 5.0890 9.2269 124.8085 61.7813 71.2562 173.5994 44 I 4.8591 8.4437 126.1898 59.1533 40.2157 175.1704 45 E 4.0607 8.6567 127.7443 58.1327 29.6713 178.0545 46 G 3.9951 9.1087 111.4366 45.4958 0.0000 173.5617 47 I 4.1572 8.0919 117.8627 63.1987 39.7204 174.8834 48 G 4.0169 7.1930 105.1190 43.6173 0.0000 171.7154 49 T 5.0754 7.8488 115.9863 61.8899 70.9910 173.8650 50 Y 4.7598 9.2358 123.0595 55.8435 42.6495 174.4983 51 K 4.8586 8.2722 120.3019 56.0699 36.3714 177.3210 52 G 4.3960 9.2535 113.8184 44.2446 0.0000 172.5241 53 P 4.3159 0.0000 0.0000 65.7779 31.0399 178.5863 54 E 4.0509 8.2921 117.6242 59.1085 29.4988 178.8929 55 G 3.6313 8.0555 105.2636 47.6150 0.0000 175.3589 56 A 4.0129 7.8049 123.2839 55.0957 18.3391 179.7825 57 L 3.8358 8.1884 117.6493 57.7027 41.6532 179.3238 58 D 4.2370 8.3285 118.3756 57.1819 41.1978 177.9607 59 L 3.0510 7.5438 120.6083 58.0204 41.8153 178.2100 60 A 3.0142 7.5585 120.5754 55.4515 17.7809 179.3559 61 N 4.5424 7.9812 114.0069 55.7006 38.8275 176.6072 62 N 4.8237 7.7982 115.3075 53.2761 40.1514 174.6898 63 V 4.1783 7.2040 117.0230 64.0653 33.9089 177.2760 64 L 4.0458 7.9544 119.2706 57.6488 41.4254 179.3835 65 W 4.7744 8.1413 119.0617 59.6753 28.8893 177.0240 66 P 4.3868 0.0000 0.0000 65.5447 30.9271 178.0133 67 M 4.0610 8.1212 117.1927 56.6757 32.2155 175.8011 68 F 5.3681 7.3430 115.4191 55.6882 42.3661 175.1025 69 H 4.4507 9.4182 122.8467 58.6515 28.7892 175.3384 70 E 4.9819 7.9593 115.1089 55.6319 33.1396 172.9429 71 C 4.9878 8.1353 113.6515 57.1674 33.0623 172.9787 72 I 4.5897 8.8072 119.3426 59.6773 41.0697 173.2263 73 H 5.0289 9.5945 127.2700 54.7250 30.0447 174.4230 74 Y 4.5657 9.5059 123.7206 56.5017 38.9614 174.7945 75 G 4.6016 8.7334 112.5562 45.4847 0.0000 171.4691 76 T 4.8164 8.7672 114.3755 60.1421 73.2512 173.4449 77 N 4.3434 8.9023 114.9397 53.8987 35.9817 174.2451 78 L 3.9179 7.8642 120.2356 55.5645 42.7446 176.0209 79 R 4.5482 9.1980 127.1675 54.5356 32.8194 173.8429 80 L 5.1551 8.5612 125.9210 52.9722 44.3964 175.6261 81 E 4.5740 8.9238 123.5279 54.2810 32.3046 175.2974 82 F 4.4491 9.1054 127.0351 57.0768 38.7439 175.9619 83 V 3.7821 8.5668 126.9063 65.2966 31.6974 175.8836 84 S 4.7839 7.7826 111.3967 56.2248 66.1140 174.0449 85 A 4.3299 8.8428 122.5250 55.0828 18.1126 177.8212 86 D 4.8100 8.0602 112.9610 53.6939 43.3701 175.6378 87 K 5.2953 8.6842 119.0198 54.8873 36.0977 175.8038 88 V 4.8562 8.8091 117.1896 59.6687 36.0062 174.3877 89 N 5.2840 9.0051 121.6571 52.1646 40.8207 174.4431 90 G 4.6786 9.2576 109.2016 44.4443 0.0000 171.4366 91 I 5.5854 7.9767 115.7773 58.4241 40.9522 174.5745 92 G 4.8414 8.4865 108.5344 46.1484 0.0000 171.2573 93 D 5.6557 9.2587 120.6430 52.1821 44.5231 175.7758 94 V 5.0513 8.5210 120.6980 59.8756 35.2167 173.9131 95 L 5.0818 9.0751 125.7766 53.3708 44.3209 174.4379 96 L 5.1274 9.0295 129.1399 53.2418 44.5353 174.7337 97 L 5.1954 8.3843 126.1774 53.1026 44.6633 175.8725 98 G 4.3499 8.9227 109.0904 45.7820 0.0000 171.2272 99 N 5.7276 9.2197 117.5761 51.1825 41.1731 174.7130 100 L 3.9720 9.5886 126.2563 54.4022 42.5778 178.4395 101 V 3.1895 8.6762 124.6414 65.8024 31.5696 175.1039 102 E 3.7804 7.8530 121.4956 58.3404 28.4257 176.2279 103 G 3.7886 8.5938 114.2440 44.4803 0.0000 171.2645 104 N 4.7150 7.3416 116.2383 53.4090 37.8378 173.5566 105 Q 4.7023 7.5096 119.5753 54.5187 32.1184 175.1130 106 S 5.4004 8.8530 122.5910 57.6076 64.3864 173.1422 107 I 5.0614 9.3604 117.7428 58.9760 41.3658 173.7512 108 L 5.3029 8.7058 125.5691 53.4903 44.6224 175.0587 109 I 5.2133 9.0393 126.3501 59.4463 41.0118 174.0410 110 A 5.2577 8.9754 128.0239 50.1902 21.2560 175.2473 111 A 5.0366 8.7203 123.5980 50.1255 23.3625 174.6220 112 V 4.4899 8.8246 119.6998 61.1701 34.3129 174.5008 113 F 5.7086 8.9679 126.6952 56.5212 41.1920 174.7933 114 T 4.9779 9.4344 120.8305 62.0999 70.6590 173.0150 115 D 5.5093 9.5090 126.3505 52.4227 45.4121 174.8710 116 E 4.8972 8.7519 119.4442 54.8401 33.5878 174.5512 117 Y 5.2745 9.0510 121.0994 56.2200 41.8690 174.3113 118 E 5.2724 9.9065 123.2119 54.6424 33.4087 174.0229 119 R 4.4554 8.3555 127.6550 54.6857 31.1042 175.7142 120 R 4.2088 8.6581 126.0432 55.2194 31.8356 175.5249 121 D 4.1601 9.1899 124.4404 55.5791 37.6366 175.4955 122 G 3.8608 8.4501 106.0197 45.1925 0.0000 173.7017 123 V 4.4188 7.3935 120.6375 60.7750 33.6839 174.5739 124 W 5.2648 8.8849 127.9988 56.4204 30.2342 175.7009 125 K 4.4542 9.0827 121.8096 54.5850 36.5971 175.3639 126 F 4.2880 8.9433 121.2314 58.2689 39.2809 176.3593 127 S 4.8233 9.4687 118.2350 59.8860 64.2500 173.4873 128 K 5.2245 7.8825 118.3820 55.4801 35.8795 174.6817 129 R 5.4151 9.1051 124.5240 54.7356 33.9185 172.8964 130 N 5.5715 9.9974 125.8731 51.8424 41.7049 172.8566 131 A 5.5512 8.9961 127.7816 50.4296 21.9391 174.4603 132 C 5.0977 9.2935 123.9146 57.7615 34.4961 172.6284 133 T 4.7733 8.6001 116.9004 60.9070 69.1587 174.1766 134 N 4.5991 9.1905 125.0152 55.0814 39.7317 175.2994 135 Y 5.1925 7.7869 115.3316 56.3516 41.3149 175.3103 136 F 4.8896 8.9845 125.0297 57.2926 41.6196 173.4516 137 T 4.6631 9.1080 123.6536 60.4238 71.0930 171.8898 138 P 4.6518 0.0000 0.0000 63.1747 31.8697 175.7699 139 L 4.6706 8.3893 121.8378 52.5974 43.7066 177.6823 140 A 4.2816 8.8217 123.1971 53.3647 17.4588 178.6209 141 G 4.0281 9.0140 105.4446 47.4799 0.0000 173.2143 142 I 4.2799 7.5044 120.1264 59.1805 39.0761 175.0106 143 H 4.4811 8.2868 123.5643 53.9529 32.0554 172.7595 144 F 4.4551 8.2772 126.8399 57.6260 39.2239 174.7651 145 A 4.6542 8.1769 126.1796 50.3124 21.9875 174.1243 146 P 4.5107 0.0000 0.0000 61.4862 32.4541 176.0429 147 P 4.1363 0.0000 0.0000 65.8765 31.0551 178.6531 148 G 3.7975 7.9216 106.1539 47.5268 0.0000 174.6025 149 I 3.7919 7.6515 120.2014 63.6271 37.5106 175.8625 150 H 4.0157 7.5301 119.4455 55.9644 30.2269 174.1938 151 F 4.2174 7.7289 114.0171 57.9325 36.7132 175.0794 152 A 4.8676 7.1758 121.3544 50.4515 22.2184 175.1291 153 P 4.4254 0.0000 0.0000 63.0727 31.5170 176.4379 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 8.15 4.44 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 S 8.36 4.27 0.00 4.09 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 3 D 7.97 4.16 0.00 2.77 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 4 L 7.80 3.91 0.00 1.78 1.78 0.91 1.12 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 5 D 7.76 4.36 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 6 R 7.89 3.52 0.00 1.99 1.80 0.00 2.68 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.00 7 L 7.89 3.88 0.00 2.00 1.67 0.86 0.79 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 8 A 8.65 4.05 1.40 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 0.00 0.00 9 S 8.09 4.13 0.00 4.34 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 10 R 8.16 3.70 0.00 1.98 1.90 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 11 A 7.79 3.84 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 12 A 7.59 3.84 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 13 I 7.25 2.99 1.21 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 0.28 -0.36 -0.77 0.00 0.00 14 Q 7.93 3.82 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 15 D 8.14 4.31 0.00 2.76 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 16 L 7.81 3.86 0.00 1.53 1.37 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.19 4.15 0.00 2.95 3.10 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 18 S 8.50 4.00 0.00 3.89 3.90 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 19 D 8.21 4.32 0.00 2.78 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 20 K 7.73 3.60 0.00 1.39 1.30 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.55 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.88 0.44 7.81 21 L 7.10 3.75 0.00 1.86 1.60 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.83 3.63 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 1.42 0.86 0.88 0.00 0.00 23 A 8.28 3.82 1.49 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 24 V 7.79 3.99 2.21 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 1.18 0.00 0.00 1.08 0.00 0.00 25 D 8.14 4.30 0.00 2.65 2.63 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 26 K 8.60 4.12 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.45 7.81 27 R 7.24 2.86 0.00 1.46 0.66 0.00 2.72 0.00 0.00 2.35 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 28 Q 8.21 4.45 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 29 E 8.83 4.40 0.00 2.11 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 0.00 2.89 2.54 0.00 30 G 8.04 3.66 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 0.00 0.00 0.00 31 R 7.96 4.07 0.00 1.88 1.94 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 32 L 7.95 4.01 0.00 1.97 2.02 0.95 0.98 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 33 A 8.24 4.39 1.49 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 34 S 7.72 4.34 0.00 4.04 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 35 I 7.15 4.06 1.51 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.74 0.00 0.00 36 W 7.70 5.10 0.00 3.15 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 37 W 8.52 4.76 0.00 3.41 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 38 D 9.35 4.50 0.00 2.79 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 39 D 8.17 4.68 0.00 2.82 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 40 A 8.00 5.18 1.87 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 41 E 8.93 5.01 0.00 1.97 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 2.44 2.37 0.00 42 W 9.39 5.22 0.00 2.35 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 43 T 9.23 5.09 4.33 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 1.23 0.00 0.00 44 I 8.44 4.86 1.70 0.00 0.00 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 1.35 0.53 0.94 0.00 0.00 45 E 8.66 4.06 0.00 2.01 1.92 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 2.37 2.31 0.00 46 G 9.11 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 47 I 8.09 4.16 1.92 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 1.33 0.95 0.78 0.00 0.00 48 G 7.19 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 49 T 7.85 5.08 4.14 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 1.19 0.00 0.00 50 Y 9.24 4.76 0.00 2.53 2.63 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 51 K 8.27 4.86 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 52 G 9.25 4.40 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 0.00 0.00 0.00 53 P 0.00 4.32 0.00 2.26 2.44 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.57 0.00 54 E 8.29 4.05 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 2.39 2.46 0.00 55 G 8.06 3.63 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 0.00 56 A 7.80 4.01 1.07 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 57 L 8.19 3.84 0.00 1.82 1.75 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.33 4.24 0.00 2.85 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 59 L 7.54 3.05 0.00 0.27 0.94 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.56 3.01 -0.18 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 0.00 0.00 61 N 7.98 4.54 0.00 2.82 2.98 0.00 0.00 7.08 8.34 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 62 N 7.80 4.82 0.00 2.79 2.83 0.00 0.00 6.73 7.67 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 63 V 7.20 4.18 1.93 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 0.95 0.00 0.00 0.84 0.00 0.00 64 L 7.95 4.05 0.00 1.23 1.69 0.88 0.83 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 65 W 8.14 4.77 0.00 3.53 3.12 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 66 P 0.00 4.39 0.00 2.04 2.16 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 67 M 8.12 4.06 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.85 0.00 68 F 7.34 5.37 0.00 3.11 3.08 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 69 H 9.42 4.45 0.00 3.23 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.96 4.98 0.00 2.01 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 2.27 2.40 0.00 71 C 8.14 4.99 0.00 2.30 1.80 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 72 I 8.81 4.59 1.62 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.37 0.64 0.00 0.00 73 H 9.59 5.03 0.00 3.03 3.23 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.51 4.57 0.00 2.90 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 75 G 8.73 4.60 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 0.00 0.00 0.00 76 T 8.77 4.82 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 1.29 0.00 0.00 77 N 8.90 4.34 0.00 3.01 2.95 0.00 0.00 6.83 7.85 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 78 L 7.86 3.92 0.00 1.13 1.27 0.51 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 79 R 9.20 4.55 0.00 1.85 1.70 0.00 3.13 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 80 L 8.56 5.16 0.00 1.50 1.32 0.58 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.92 4.57 0.00 2.01 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 2.24 2.29 0.00 82 F 9.11 4.45 0.00 3.05 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 83 V 8.57 3.78 2.27 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 0.83 0.00 0.00 0.98 0.00 0.00 84 S 7.78 4.78 0.00 4.05 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 85 A 8.84 4.33 1.40 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 0.00 0.00 86 D 8.06 4.81 0.00 2.53 2.56 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 0.00 0.00 0.00 0.00 87 K 8.68 5.30 0.00 1.76 1.74 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 88 V 8.81 4.86 1.56 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 -0.38 0.00 0.00 0.69 0.00 0.00 89 N 9.01 5.28 0.00 2.66 2.74 0.00 0.00 6.54 7.16 0.00 0.00 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 G 9.26 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.98 5.59 1.93 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 1.14 2.18 0.97 0.00 0.00 92 G 8.49 4.84 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 93 D 9.26 5.66 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.05 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 0.47 0.00 0.00 1.11 0.00 0.00 95 L 9.08 5.08 0.00 1.76 1.73 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.03 5.13 0.00 1.59 1.45 0.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.38 5.20 0.00 1.27 0.74 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.92 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 0.00 0.00 0.00 0.00 99 N 9.22 5.73 0.00 2.92 2.89 0.00 0.00 7.47 7.18 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 0.00 100 L 9.59 3.97 0.00 1.51 1.45 0.89 -0.08 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 0.00 101 V 8.68 3.19 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 0.88 0.00 0.00 0.67 0.00 0.00 102 E 7.85 3.78 0.00 1.91 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 2.28 2.36 0.00 103 G 8.59 3.79 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 0.00 0.00 0.00 104 N 7.34 4.72 0.00 2.83 2.81 0.00 0.00 6.95 7.09 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 0.00 105 Q 7.51 4.70 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 106 S 8.85 5.40 0.00 3.67 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 0.00 107 I 9.36 5.06 1.60 0.00 0.00 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 1.17 1.00 0.61 0.00 0.00 108 L 8.71 5.30 0.00 1.85 1.58 1.00 1.10 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 0.00 109 I 9.04 5.21 1.93 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 1.22 0.53 1.08 0.00 0.00 110 A 8.98 5.26 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 0.00 111 A 8.72 5.04 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 0.00 112 V 8.82 4.49 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 1.08 0.00 0.00 0.91 0.00 0.00 113 F 8.97 5.71 0.00 3.30 3.31 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 0.00 114 T 9.43 4.98 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 0.00 115 D 9.51 5.51 0.00 2.50 1.92 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 0.00 116 E 8.75 4.90 0.00 1.91 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 2.42 2.27 0.00 117 Y 9.05 5.27 0.00 2.84 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 0.00 118 E 9.91 5.27 0.00 2.20 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 2.06 2.21 0.00 119 R 8.36 4.46 0.00 0.67 0.97 0.00 2.97 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 120 R 8.66 4.21 0.00 1.25 1.39 0.00 2.21 0.00 0.00 2.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.72 0.00 121 D 9.19 4.16 0.00 2.84 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 0.00 122 G 8.45 3.86 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 0.00 0.00 0.00 123 V 7.39 4.42 2.32 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 0.93 0.00 0.00 1.00 0.00 0.00 124 W 8.88 5.26 0.00 3.13 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 0.00 125 K 9.08 4.45 0.00 0.79 1.01 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.42 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.78 0.21 7.81 126 F 8.94 4.29 0.00 2.62 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 0.00 127 S 9.47 4.82 0.00 4.10 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 0.00 128 K 7.88 5.22 0.00 1.94 1.65 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.65 7.81 129 R 9.11 5.42 0.00 1.95 1.83 0.00 2.51 0.00 0.00 2.78 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 130 N 10.00 5.57 0.00 2.86 2.75 0.00 0.00 6.48 6.96 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 0.00 131 A 9.00 5.55 1.62 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 0.00 0.00 132 C 9.29 5.10 0.00 3.29 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 0.00 133 T 8.60 4.77 4.38 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 1.33 0.00 0.00 134 N 9.19 4.60 0.00 2.32 2.60 0.00 0.00 6.92 7.18 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 0.00 135 Y 7.79 5.19 0.00 2.99 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 0.00 136 F 8.98 4.89 0.00 3.05 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 0.00 137 T 9.11 4.66 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 1.18 0.00 0.00 138 P 0.00 4.65 0.00 2.07 2.07 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 139 L 8.39 4.67 0.00 1.31 1.46 0.84 1.07 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 0.00 140 A 8.82 4.28 0.97 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 0.00 0.00 141 G 9.01 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 0.00 0.00 0.00 142 I 7.50 4.28 1.66 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 1.21 0.60 0.52 0.00 0.00 143 H 8.29 4.48 0.00 2.97 3.09 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.28 4.46 0.00 3.04 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 0.00 145 A 8.18 4.65 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 0.00 146 P 0.00 4.51 0.00 2.19 1.99 0.00 3.63 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 2.12 2.08 0.00 147 P 0.00 4.14 0.00 2.21 2.30 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 148 G 7.92 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 0.00 149 I 7.65 3.79 2.00 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 1.19 0.45 0.90 0.00 0.00 150 H 7.53 4.02 0.00 2.93 2.43 0.00 5.71 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 7.73 4.22 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.18 4.87 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 0.00 153 P 0.00 4.43 0.00 2.19 2.05 0.00 3.81 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 1.99 1.96 0.00