NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4185 8.3049 120.3521 54.7081 32.5104 175.3006 2 V 3.6551 7.7842 117.1823 58.7869 33.9406 173.8915 3 P 4.4665 0.0000 0.0000 65.3274 31.6782 177.7063 4 H 4.4769 8.0146 118.8833 58.5731 30.2205 176.6338 5 T 4.1266 7.7965 117.2925 66.1629 68.4923 176.5438 6 L 3.9797 7.7398 122.2281 58.2163 42.2751 179.1843 7 S 4.2366 8.2052 113.8618 61.3738 62.8025 176.4823 8 T 4.0776 7.5442 118.4595 65.2330 68.4890 174.5969 9 L 4.1769 6.9157 120.9257 55.1644 43.4313 176.6009 10 K 5.2180 8.3737 117.8678 55.1063 36.8554 176.4706 11 T 5.4390 9.1345 113.7900 59.7331 71.0949 175.3355 12 A 4.2815 8.8348 123.3178 54.4595 18.4626 177.7142 13 D 4.8370 8.1600 114.6036 53.5178 41.0017 175.8405 14 N 4.2709 7.9647 114.3137 54.2862 37.0431 174.4055 15 R 4.6709 7.4517 115.8236 53.6409 32.5724 174.1635 16 P 4.8103 0.0000 0.0000 62.4151 32.2195 177.3650 17 A 4.3108 9.0258 125.1281 54.2620 18.1215 179.7555 18 S 4.1125 8.0921 113.1741 61.5632 62.8638 176.5144 19 V 3.1892 7.5888 120.4507 65.1808 31.0476 176.4603 20 Y 4.7788 7.6580 114.7521 56.1764 38.5367 175.4615 21 L 4.4418 8.0580 121.5719 53.8802 45.2422 175.7368 22 K 4.1346 9.1246 122.4046 57.3042 35.0641 174.8443 23 K 4.0154 8.4391 116.2000 57.8585 29.0425 175.6682 24 D 4.5246 8.0038 115.0660 55.3262 38.5503 173.7351 25 K 4.7774 7.4835 116.7641 53.9831 35.2405 174.9398 26 P 4.5745 0.0000 0.0000 63.2567 33.0742 175.1810 27 T 5.1950 8.6779 116.9302 61.7727 72.8171 172.6472 28 L 5.3200 9.6476 127.7484 53.4526 45.3248 175.1350 29 I 4.8684 9.2497 126.7479 59.4476 40.5863 174.7529 30 K 4.2122 7.9721 125.6375 54.5623 34.9684 175.0779 31 F 5.2828 9.4257 127.4690 55.9771 40.3651 175.0641 32 W 5.1882 7.6211 118.4430 54.8651 31.9155 173.7658 33 A 3.8720 7.8297 120.8277 49.8438 21.4161 177.2337 34 S 3.7436 7.9151 116.5219 60.7818 62.4290 175.7770 35 W 4.5225 7.7522 115.1620 58.0199 28.4368 175.6455 36 C 4.6716 7.2052 121.1828 57.5345 31.8365 171.8951 37 P 4.2525 0.0000 0.0000 66.0558 31.5045 178.1038 38 L 4.0184 8.1276 119.9270 58.7084 39.8042 179.1134 39 C 4.0268 7.9570 116.6007 62.5883 26.8188 175.4724 40 L 3.7794 7.6767 120.7673 58.0923 39.8612 180.0297 41 S 4.2351 8.6479 113.8161 61.1674 62.7990 176.2196 42 E 4.0354 7.8595 122.2117 58.5406 29.0417 178.6639 43 L 3.8202 7.6440 119.9352 57.8399 41.7960 179.5587 44 G 3.6285 7.1669 103.0278 48.1842 0.0000 175.3672 45 Q 3.6743 7.1384 121.6177 58.7616 29.0459 178.1950 46 T 3.8030 8.2243 118.0232 65.9457 68.2097 176.5901 47 E 3.9071 8.4933 122.3538 58.9283 29.8839 178.5645 48 K 4.2244 7.9700 118.5947 59.5869 33.0273 179.2775 49 W 4.4264 8.4014 119.9486 59.3388 28.6776 177.6674 50 A 4.2204 7.7403 118.4282 53.4276 18.0822 178.2731 51 Q 4.4898 7.9864 115.3217 54.7241 29.9588 175.7005 52 D 4.5891 7.6925 120.8802 53.4595 42.8691 176.0719 53 A 4.2462 8.7385 128.9928 55.5360 18.2373 179.5887 54 K 3.7158 8.3663 114.8118 60.0158 32.2842 178.9724 55 F 4.3354 8.0813 116.1916 60.2541 38.6381 177.7833 56 S 4.1878 8.9654 115.4364 62.0282 62.7603 176.3582 57 S 4.2188 7.5723 114.0467 59.8136 62.2972 173.9301 58 A 4.8820 7.5500 120.6479 50.0185 22.0037 175.5220 59 N 4.8183 9.1299 117.2805 52.5032 40.1036 174.3771 60 L 5.4021 8.6554 125.8444 53.2445 44.4126 175.2236 61 I 4.5177 8.6855 118.5741 59.9075 41.5319 173.6127 62 T 4.8403 7.9113 112.4414 60.0523 71.9738 173.1980 63 V 4.7772 8.2612 121.9039 61.0306 35.0557 174.1350 64 A 4.3018 8.9708 127.7035 49.9571 22.7039 175.1676 65 S 4.9505 8.0600 116.9761 55.8432 63.8189 171.9485 66 P 4.3785 0.0000 0.0000 63.4172 31.8663 177.3470 67 G 3.6221 8.9801 109.6720 45.7608 0.0000 172.7533 68 F 4.6154 7.7584 122.2693 57.1317 41.3014 174.9948 69 L 3.1815 8.1590 128.7907 56.4963 39.6873 173.9937 70 H 4.0206 8.3218 109.7536 55.8683 26.2650 174.4295 71 E 4.7812 7.9051 120.4151 55.4868 30.3038 176.3697 72 K 4.2159 9.0897 124.5469 56.2926 33.9755 175.9896 73 K 4.6995 8.7216 123.5434 55.6532 33.9113 175.6480 74 D 4.6224 8.5083 122.7215 55.4791 42.0220 174.9384 75 G 4.7280 9.3453 116.6827 46.1082 0.0000 175.5957 76 D 4.4686 7.9291 119.4862 56.3360 40.7828 178.6256 77 F 4.3627 8.4145 121.7417 61.3770 39.5796 177.1804 78 Q 3.7984 8.6028 116.8730 59.5063 27.8324 178.7083 79 K 3.9963 7.7581 120.6853 58.7802 32.5280 178.4694 80 W 4.4128 7.9811 128.2450 60.9101 30.6720 177.5226 81 Y 3.9000 8.5450 119.7688 60.2401 37.8690 177.4708 82 A 3.2641 7.9154 121.6197 53.9884 18.3067 178.1824 83 G 3.9854 7.4499 104.6360 45.0902 0.0000 173.1536 84 L 4.5765 7.7407 119.1650 52.8356 45.3966 177.4544 85 N 3.6138 8.1394 116.8874 53.9420 37.5961 172.9090 86 Y 4.8545 7.6726 114.1039 55.9665 40.8334 174.5095 87 P 4.5618 0.0000 0.0000 62.9386 30.8413 177.1517 88 K 4.6351 8.1174 113.1115 56.8859 34.8866 176.0836 89 L 4.6941 7.5682 121.3175 52.1866 43.6681 174.0309 90 P 4.3992 0.0000 0.0000 62.6511 32.8485 175.2707 91 V 5.0465 8.1554 123.0002 60.0338 35.0086 173.6613 92 V 4.7091 8.8720 128.4143 61.0820 34.2880 174.0887 93 T 4.7432 8.3847 117.7362 59.8938 70.7064 172.8407 94 D 4.7111 8.7457 127.3839 51.7311 43.4327 174.7299 95 N 4.3195 8.7180 125.5440 55.6639 38.9338 174.4557 96 G 3.9739 8.1066 115.2905 44.1237 0.0000 172.2328 97 G 3.4590 7.9296 109.2092 46.3895 0.0000 174.3217 98 T 3.6028 8.8947 119.8766 67.0501 68.9139 176.4150 99 I 3.8571 7.8749 121.1122 64.1567 37.2008 178.1487 100 A 3.8200 7.7558 121.2820 55.0517 18.2565 179.4885 101 Q 3.7444 8.7538 117.5271 58.7467 28.6691 178.5762 102 S 4.0861 8.3902 114.3406 61.0654 62.4971 174.7514 103 L 4.2421 7.9003 117.1998 54.0984 42.0594 175.6860 104 N 4.1550 7.6536 116.6238 54.6304 36.9721 174.0361 105 I 3.8089 7.9644 120.3044 58.6768 37.9814 176.3907 106 S 3.9559 8.0565 116.0915 58.7404 62.3092 172.9413 107 V 4.2573 7.0904 117.7898 61.3974 33.9751 173.0845 108 Y 5.3501 8.2086 120.3950 55.4435 41.8460 173.2753 109 P 5.0475 0.0000 0.0000 62.7719 33.6638 174.7251 110 S 5.0958 8.2868 113.2135 57.4571 67.5178 173.8438 111 W 5.5008 9.3652 122.0402 55.0131 32.7606 174.4395 112 A 5.1626 9.5282 124.7731 50.1755 22.4320 174.4368 113 L 5.0827 9.6734 124.5955 53.3516 44.9602 175.1472 114 I 4.9430 8.8520 127.1141 59.2412 39.9409 175.5230 115 G 4.4025 9.2886 115.8307 45.7841 0.0000 173.9272 116 K 4.5878 8.6251 117.4861 58.1838 32.7758 177.7823 117 D 4.4551 7.9708 118.9430 55.3675 41.2202 176.9663 118 G 4.0642 8.4846 107.5914 45.5763 0.0000 172.7103 119 D 4.9642 7.8396 117.0280 50.2406 42.4427 174.9870 120 V 4.0186 8.3898 119.8499 64.0036 31.7340 174.8868 121 Q 4.5249 9.1450 126.4603 57.2850 29.8126 176.1207 122 R 4.7304 7.7615 117.8936 54.7977 33.9101 172.6773 123 I 4.9056 8.4793 125.1501 59.2023 40.5693 174.5057 124 V 4.7049 9.3493 128.8514 60.8412 34.6941 174.0111 125 K 4.7180 8.7461 126.5450 56.1151 33.9020 174.0232 126 G 4.0963 7.8732 111.4652 44.3171 0.0000 172.4703 127 S 5.2603 8.7594 117.4214 56.4716 65.7181 173.0355 128 I 5.3150 8.4605 115.4772 57.4178 40.6962 174.3042 129 N 5.2572 8.3301 118.2977 51.0624 40.7468 175.1274 130 E 2.6265 8.4365 120.1370 58.8277 29.4104 178.5998 131 A 3.7263 7.6216 120.1817 55.1060 18.6143 178.8777 132 Q 3.7527 7.9765 117.3552 59.4132 28.9446 178.3693 133 A 3.6630 7.4684 121.3881 55.1074 18.1762 179.4675 134 L 3.5651 7.0772 116.7094 58.0040 41.6632 179.7845 135 A 3.9770 7.8269 120.3346 54.7823 17.9515 179.5657 136 L 3.8118 7.8294 118.7783 58.5060 42.3386 179.1091 137 I 3.8208 7.9337 118.3581 63.6236 36.9875 178.2130 138 R 3.9990 7.9202 119.7885 57.5728 30.5707 176.0557 139 D 4.4087 8.0178 114.8694 52.8388 44.7594 174.6575 140 P 4.3527 0.0000 0.0000 65.2397 31.8541 177.3977 141 N 4.3388 8.1751 115.8052 55.4081 38.6105 175.3059 142 A 3.9228 7.1198 121.4101 52.8960 18.6368 176.3699 143 D 4.4594 8.1157 119.2381 53.2436 44.2432 175.2417 144 L 4.1839 8.5998 125.3500 56.0654 40.6820 176.6069 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 4.42 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 V 7.78 3.66 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 0.92 0.00 0.00 0.95 0.00 0.00 3 P 0.00 4.47 0.00 2.27 2.45 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 2.07 2.03 0.00 4 H 8.01 4.48 0.00 3.16 3.35 0.00 5.56 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 5 T 7.80 4.13 4.42 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 1.21 0.00 0.00 6 L 7.74 3.98 0.00 1.74 1.68 0.91 1.44 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 7 S 8.21 4.24 0.00 4.15 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 8 T 7.54 4.08 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 L 6.92 4.18 0.00 1.75 1.60 0.88 0.92 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 10 K 8.37 5.22 0.00 1.66 1.66 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.42 7.81 11 T 9.13 5.44 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 1.16 0.00 0.00 12 A 8.83 4.28 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 13 D 8.16 4.84 0.00 2.77 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 14 N 7.96 4.27 0.00 2.88 2.90 0.00 0.00 6.81 7.13 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 15 R 7.45 4.67 0.00 1.92 1.91 0.00 3.17 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 16 P 0.00 4.81 0.00 2.25 2.21 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 17 A 9.03 4.31 1.41 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 18 S 8.09 4.11 0.00 4.09 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 0.00 19 V 7.59 3.19 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 0.55 0.00 0.00 0.92 0.00 0.00 20 Y 7.66 4.78 0.00 3.22 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 21 L 8.06 4.44 0.00 1.68 1.58 1.03 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.12 4.13 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.14 7.81 23 K 8.44 4.02 0.00 1.92 1.93 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 24 D 8.00 4.52 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.78 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.29 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.57 7.81 26 P 0.00 4.57 0.00 2.16 2.20 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 27 T 8.68 5.20 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 1.36 0.00 0.00 28 L 9.65 5.32 0.00 1.82 1.77 1.15 1.28 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 29 I 9.25 4.87 1.70 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 0.94 0.42 0.14 0.00 0.00 30 K 7.97 4.21 0.00 0.79 0.74 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.78 7.81 31 F 9.43 5.28 0.00 2.90 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 0.00 0.00 0.00 0.00 32 W 7.62 5.19 0.00 3.07 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 33 A 7.83 3.87 -0.35 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 34 S 7.92 3.74 0.00 3.64 3.84 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 35 W 7.75 4.52 0.00 3.59 3.37 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 36 C 7.21 4.67 0.00 2.16 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 37 P 0.00 4.25 0.00 2.37 2.37 0.00 3.93 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 38 L 8.13 4.02 0.00 1.97 2.06 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.96 4.03 0.00 3.07 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 40 L 7.68 3.78 0.00 1.88 1.68 1.03 0.76 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 41 S 8.65 4.24 0.00 3.94 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 0.00 42 E 7.86 4.04 0.00 2.05 1.83 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 2.28 2.46 0.00 43 L 7.64 3.82 0.00 1.50 1.32 -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.17 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 45 Q 7.14 3.67 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 46 T 8.22 3.80 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 1.02 0.00 0.00 47 E 8.49 3.91 0.00 1.86 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 0.00 2.36 2.45 0.00 48 K 7.97 4.22 0.00 2.15 2.07 0.00 1.45 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.78 7.81 49 W 8.40 4.43 0.00 3.34 2.48 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 0.00 0.00 0.00 0.00 50 A 7.74 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.99 4.49 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 52 D 7.69 4.59 0.00 3.01 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 53 A 8.74 4.25 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 54 K 8.37 3.72 0.00 1.96 1.64 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.52 7.81 55 F 8.08 4.34 0.00 3.31 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 56 S 8.97 4.19 0.00 3.88 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 57 S 7.57 4.22 0.00 4.00 3.93 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 58 A 7.55 4.88 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 59 N 9.13 4.82 0.00 2.73 2.92 0.00 0.00 6.98 6.33 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 60 L 8.66 5.40 0.00 1.70 1.52 0.27 0.95 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 61 I 8.69 4.52 1.38 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.17 0.44 0.00 0.00 62 T 7.91 4.84 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 0.87 0.00 0.00 63 V 8.26 4.78 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 0.00 0.00 0.90 0.00 0.00 0.59 0.00 0.00 64 A 8.97 4.30 0.11 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 65 S 8.06 4.95 0.00 3.87 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 66 P 0.00 4.38 0.00 2.25 2.02 0.00 3.79 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 1.99 1.81 0.00 67 G 8.98 3.62 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 0.00 68 F 7.76 4.62 0.00 2.99 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 69 L 8.16 3.18 0.00 1.63 2.14 0.72 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.32 4.02 0.00 3.06 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.91 4.78 0.00 2.53 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 2.36 2.20 0.00 72 K 9.09 4.22 0.00 2.13 2.12 0.00 1.99 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.90 2.18 7.81 73 K 8.72 4.70 0.00 1.90 1.74 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.47 7.81 74 D 8.51 4.62 0.00 2.68 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 75 G 9.35 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.93 4.47 0.00 2.99 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 77 F 8.41 4.36 0.00 3.23 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 78 Q 8.60 3.80 0.00 2.46 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 79 K 7.76 4.00 0.00 2.02 1.95 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.47 7.81 80 W 7.98 4.41 0.00 3.50 3.21 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 81 Y 8.55 3.90 0.00 2.44 2.47 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 82 A 7.92 3.26 1.31 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 0.00 0.00 83 G 7.45 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 84 L 7.74 4.58 0.00 1.55 1.41 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.14 3.61 0.00 2.72 2.87 0.00 0.00 6.57 7.20 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 86 Y 7.67 4.85 0.00 3.23 2.71 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 87 P 0.00 4.56 0.00 2.20 2.13 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 88 K 8.12 4.64 0.00 1.70 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 89 L 7.57 4.69 0.00 1.53 1.82 0.66 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.40 0.00 1.66 1.59 0.00 3.59 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 1.92 2.01 0.00 91 V 8.16 5.05 2.10 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 0.81 0.00 0.00 0.38 0.00 0.00 92 V 8.87 4.71 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 0.84 0.00 0.00 0.72 0.00 0.00 93 T 8.38 4.74 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 1.19 0.00 0.00 94 D 8.75 4.71 0.00 2.59 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 95 N 8.72 4.32 0.00 2.70 2.73 0.00 0.00 7.39 7.99 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 96 G 8.11 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 0.00 0.00 0.00 97 G 7.93 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 0.00 0.00 0.00 98 T 8.89 3.60 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 1.20 0.00 0.00 99 I 7.87 3.86 1.95 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 1.60 0.76 1.06 0.00 0.00 100 A 7.76 3.82 1.02 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 0.00 101 Q 8.75 3.74 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 102 S 8.39 4.09 0.00 3.89 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 0.00 103 L 7.90 4.24 0.00 1.76 1.68 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.65 4.16 0.00 2.84 2.82 0.00 0.00 7.16 8.07 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 0.00 105 I 7.96 3.81 1.55 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.69 0.00 0.00 106 S 8.06 3.96 0.00 3.93 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 0.00 107 V 7.09 4.26 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 0.81 0.00 0.00 0.95 0.00 0.00 108 Y 8.21 5.35 0.00 2.88 2.71 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 0.00 109 P 0.00 5.05 0.00 2.19 2.23 0.00 4.04 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 110 S 8.29 5.10 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 0.00 111 W 9.37 5.50 0.00 3.36 3.17 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 0.00 0.00 0.00 0.00 112 A 9.53 5.16 1.44 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 0.00 0.00 113 L 9.67 5.08 0.00 1.81 1.86 0.98 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.85 4.94 1.91 0.00 0.00 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 1.21 1.10 0.97 0.00 0.00 115 G 9.29 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 0.00 116 K 8.63 4.59 0.00 2.01 1.97 0.00 1.18 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 117 D 7.97 4.46 0.00 2.80 2.78 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 0.00 118 G 8.48 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 0.00 0.00 0.00 119 D 7.84 4.96 0.00 2.88 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 0.00 120 V 8.39 4.02 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 0.86 0.00 0.00 0.98 0.00 0.00 121 Q 9.15 4.52 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.38 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 122 R 7.76 4.73 0.00 1.84 1.75 0.00 3.34 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 123 I 8.48 4.91 1.94 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 1.30 1.18 0.96 0.00 0.00 124 V 9.35 4.70 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 1.08 0.00 0.00 1.02 0.00 0.00 125 K 8.75 4.72 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.46 7.81 126 G 7.87 4.10 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 0.00 0.00 0.00 127 S 8.76 5.26 0.00 3.97 3.88 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 0.00 128 I 8.46 5.31 1.70 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.70 0.87 0.00 0.00 129 N 8.33 5.26 0.00 2.94 3.07 0.00 0.00 5.50 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 0.00 130 E 8.44 2.63 0.00 1.16 1.73 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 0.00 2.05 1.77 0.00 131 A 7.62 3.73 1.22 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 0.00 0.00 132 Q 7.98 3.75 0.00 2.36 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 133 A 7.47 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.08 3.57 0.00 1.59 1.54 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.83 3.98 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 0.00 136 L 7.83 3.81 0.00 1.54 1.69 0.92 1.07 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 0.00 137 I 7.93 3.82 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.84 0.00 0.00 138 R 7.92 4.00 0.00 1.91 1.88 0.00 3.24 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 139 D 8.02 4.41 0.00 2.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.35 0.00 2.22 2.17 0.00 3.81 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 1.98 1.98 0.00 141 N 8.18 4.34 0.00 2.88 2.92 0.00 0.00 7.05 7.20 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 0.00 142 A 7.12 3.92 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 0.00 143 D 8.12 4.46 0.00 2.77 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 0.00 144 L 8.60 4.18 0.00 1.77 1.63 0.92 0.56 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