NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2729 8.2893 120.3260 55.5027 32.3800 176.0398 2 L 3.1135 8.1358 118.9977 56.3758 40.0349 171.8813 3 K 4.5333 7.9234 119.8991 56.6775 36.8592 179.4204 4 Q 5.3064 7.0531 116.5060 55.4444 31.5174 177.3794 5 V 4.5907 8.2069 109.0412 60.2788 36.2232 170.8980 6 E 4.8977 8.6510 123.9785 54.6055 32.0683 174.9830 7 I 4.9906 8.2358 124.7886 59.4011 40.7229 174.4957 8 F 5.4176 9.4659 125.1894 55.9359 42.1766 174.3398 9 T 5.3344 8.6013 112.2954 60.6427 72.2073 172.5318 10 D 4.8208 8.9920 120.4139 53.7668 45.2252 174.2103 11 G 4.7769 8.6004 109.5724 45.3569 0.0000 171.9075 12 S 5.1006 9.0460 116.4007 57.9505 66.9427 172.7805 13 C 5.1921 8.5847 117.1529 58.1183 31.4985 175.0510 14 L 4.3300 8.7897 124.4557 51.8044 39.6843 176.0475 15 G 3.8105 8.8543 108.9842 45.4681 0.0000 169.5526 16 N 5.1003 8.2601 120.9721 50.7653 41.1285 171.9606 17 P 4.5044 0.0000 0.0000 62.9456 32.8278 176.0081 18 G 4.2821 8.1163 106.6732 45.7096 0.0000 170.3679 19 P 5.0665 0.0000 0.0000 62.5845 32.5952 175.7715 20 G 4.5391 9.1764 108.7299 45.1461 0.0000 170.8100 21 G 4.7387 9.4737 106.7391 45.3315 0.0000 171.0894 22 Y 5.5461 8.3390 117.3028 55.3946 42.5027 174.5757 23 G 4.6051 9.7730 106.3532 44.9233 0.0000 171.7354 24 A 5.5404 9.4434 125.6115 50.3147 23.3190 174.7077 25 I 5.1656 9.1190 121.3265 59.4276 40.8983 174.4252 26 L 5.2256 9.1640 128.1724 53.3998 44.9001 175.2252 27 R 5.0842 9.0404 125.3915 54.6597 31.6841 174.8012 28 Y 5.0381 8.6464 132.7464 57.9672 38.1227 177.9849 29 R 3.9504 8.7833 125.8735 57.5866 29.2957 175.8253 30 G 4.0876 8.7978 109.7106 45.7713 0.0000 171.1855 31 R 4.8643 7.7972 114.2678 54.0741 33.2011 174.0497 32 E 5.2788 8.6151 119.7855 54.7536 32.7920 174.3439 33 K 4.6473 9.4045 126.4602 54.6897 35.1031 175.3212 34 T 5.0978 8.0725 113.4830 60.0729 71.7043 173.3188 35 F 5.0104 8.6804 120.1184 56.3642 43.6842 174.0328 36 S 4.7917 8.7569 112.9999 58.7993 66.4799 175.3493 37 A 4.2227 6.8777 121.7996 51.1189 22.2821 175.2882 38 G 4.4154 8.1540 106.4895 44.5369 0.0000 171.2681 39 Y 5.1829 9.2208 120.5658 56.1314 40.8108 176.7033 40 T 3.9188 9.0092 121.6036 66.7458 69.7778 174.4742 41 R 4.3589 7.7334 119.9906 56.0102 33.0140 173.7988 42 T 3.6940 8.0365 121.9096 61.6218 71.2954 171.8490 43 T 5.0611 8.0692 108.5991 59.2504 72.1153 174.3831 44 N 4.2300 9.0658 119.2289 56.7209 38.6116 177.2982 45 N 4.1330 8.0162 117.0453 56.6234 38.4760 177.5718 46 R 3.9605 7.7132 118.8991 59.3527 30.2264 179.1140 47 M 4.0475 7.9621 118.6418 58.4159 31.7322 178.6231 48 E 4.0660 8.4457 118.9635 59.2248 29.6007 179.2990 49 L 3.8679 7.8768 120.0320 58.2997 42.1310 178.5414 50 M 3.7952 8.1106 118.0692 58.3974 31.5227 177.8156 51 A 3.4062 7.6922 120.1799 55.1285 18.5691 179.5505 52 A 3.9387 7.4252 119.1662 55.1627 18.3745 179.7951 53 I 3.5444 7.5221 118.3248 64.6914 37.0146 178.8768 54 V 3.3670 7.4204 117.3202 65.6237 31.4108 177.6874 55 A 3.3967 7.2724 119.5275 55.0341 17.7499 179.7264 56 L 3.8613 7.5122 117.0409 57.7383 41.4719 179.2184 57 E 4.1313 8.2428 116.9889 58.1180 29.5152 178.4470 58 A 4.1001 7.2679 120.2539 53.1167 18.8522 177.6416 59 L 4.3362 6.9752 116.9134 54.5950 42.3082 176.9647 60 K 4.6502 8.3545 121.0385 55.7122 33.2219 175.7335 61 E 4.6353 7.9323 116.4398 54.0894 32.2090 174.9819 62 H 4.2092 8.8350 118.9550 57.1766 29.3363 174.1993 63 C 4.8945 9.1479 119.3640 57.8538 32.8030 172.4329 64 E 4.7940 8.5711 120.7210 55.0322 30.6037 174.3094 65 V 4.6328 9.1792 128.7022 60.9619 34.5265 174.2774 66 I 4.5931 8.1088 127.1420 59.1980 40.3167 173.8748 67 L 4.5742 8.2152 133.3372 53.5046 43.5555 174.9489 68 S 5.1286 8.8059 122.9459 57.0000 64.2179 172.7386 69 T 5.1581 9.0546 121.3089 60.8315 71.1761 173.6166 70 D 5.3047 8.7668 122.4153 52.0764 40.0340 176.5382 71 S 4.2307 7.9339 116.4058 58.8537 63.0661 174.7462 72 Q 4.0165 8.7409 127.7308 58.7474 28.9293 177.5517 73 Y 4.3272 7.7436 120.6118 60.7864 38.9883 177.8586 74 V 3.4961 7.9646 119.2159 65.8654 31.5807 177.7090 75 R 2.5100 7.1395 117.1947 58.9394 29.5718 178.3428 76 Q 3.5481 7.6291 117.5753 58.6834 28.6340 179.0069 77 G 2.0000 6.8611 105.7389 47.1559 0.0000 175.5560 78 I 3.4245 7.5669 123.4005 63.8870 36.9114 178.6939 79 T 3.6472 7.3381 108.9469 64.7925 68.5147 175.1350 80 Q 3.9073 7.5864 118.4066 54.7188 29.1067 175.8036 80B G 3.4968 7.3695 106.6059 45.3907 0.0000 175.3567 81 W 3.4568 6.9970 118.8422 59.2772 28.9508 177.8945 82 I 3.5269 7.0026 118.3806 65.0286 36.3746 177.6675 83 H 4.0651 7.9835 115.9514 59.1530 28.4569 176.9386 84 N 4.1217 7.6222 117.7184 56.4254 38.3614 177.2379 85 W 4.2894 7.7526 119.8446 59.9760 28.9707 178.8343 86 K 3.2583 7.2497 116.6100 59.1303 31.4217 179.2517 87 K 4.1605 7.3875 117.1504 58.6509 32.0389 178.4072 88 R 4.6001 7.6168 117.5593 55.6343 30.7773 177.1589 89 G 3.9798 8.7183 104.3218 46.3281 0.0000 174.3421 90 W 3.5517 8.5670 116.8723 57.3335 26.9294 174.0721 91 K 4.8842 7.5732 116.2854 54.5464 34.6191 176.5067 92 T 4.2616 8.7863 112.4600 60.4166 70.0937 175.3761 93 A 3.9662 8.5593 123.8837 54.8331 18.2338 177.7558 94 D 4.7942 7.9194 113.7144 53.2161 39.9170 176.4806 95 K 3.8528 8.0136 115.9776 58.1825 30.4483 175.6084 96 K 4.5032 7.4017 118.0184 53.9379 33.6701 174.3175 97 P 4.6805 0.0000 0.0000 62.9298 31.5967 176.6827 98 V 3.5227 8.1386 116.7279 61.0082 32.2512 175.9332 99 K 3.9440 8.2719 124.5128 57.0327 33.0429 176.3209 100 N 4.4541 9.0660 124.0204 54.1918 36.4683 176.8370 101 V 3.7377 7.9088 120.1007 64.8613 30.9454 176.6383 102 D 4.2315 8.0098 119.3156 56.3525 39.0978 178.6115 103 L 3.9601 7.7609 120.0330 57.2043 41.7920 179.1134 104 W 4.6854 8.1794 118.8842 60.1600 29.0275 178.6258 105 Q 3.8122 7.9971 117.6929 59.0205 27.9755 179.0187 106 R 3.9347 7.6280 117.7897 59.0615 30.0589 178.8150 107 L 4.0179 8.4280 120.4734 58.1866 42.0551 178.1299 108 D 4.6418 8.9237 118.2348 57.8846 40.9527 178.6604 109 A 4.0694 8.1542 119.2595 55.1237 18.6351 179.2072 110 A 4.1421 7.8746 119.4143 55.3205 18.3010 179.8221 111 L 4.1593 8.0659 116.6495 57.7523 41.8013 179.3328 112 G 3.8415 7.7673 103.3316 45.8990 0.0000 174.7026 113 Q 4.1904 7.8525 119.8857 58.2266 29.3450 175.6821 114 H 5.0616 7.7217 112.0052 53.9961 31.9393 174.0523 115 Q 4.3722 8.7431 122.1627 55.2827 29.7829 174.2833 116 I 4.6822 8.2294 127.3284 59.2376 39.9058 175.3876 117 K 4.3311 8.6532 127.3158 54.3274 34.4298 174.9908 118 W 4.3964 8.5158 127.7209 55.9700 30.4563 175.9083 119 E 4.1863 8.7205 124.3371 54.1990 32.0683 174.2749 120 W 5.5184 8.4820 127.7358 55.9224 30.1422 176.4677 121 V 4.4553 8.5937 118.2837 59.6770 34.1196 175.8330 122 K 4.5020 8.6147 123.3867 57.6448 33.3909 176.3601 123 G 4.0337 8.7599 113.2434 46.2050 0.0000 172.6991 124 H 4.2673 8.6410 117.8607 57.2074 29.1583 174.8932 125 A 4.2471 7.3302 122.5747 53.4452 17.5256 177.0936 126 G 3.8336 9.5432 111.9875 47.4736 0.0000 173.5532 127 H 4.9980 8.1056 116.4454 52.7762 30.8515 172.5779 128 P 4.2726 0.0000 0.0000 65.6406 31.8933 178.4558 129 E 3.8785 7.8850 117.8237 59.0120 29.2518 178.9678 130 N 4.4708 8.0146 116.1547 56.1236 38.8794 176.9151 131 E 3.4265 8.0246 120.0095 59.4597 29.5128 179.5451 132 R 4.0219 8.3073 118.0956 59.7603 30.1339 178.8086 133 C 4.1666 7.9811 115.9528 62.9112 28.0246 175.8250 134 D 4.3826 8.0916 119.3843 57.4479 40.8407 178.1386 135 E 3.9910 8.1241 118.9761 59.3468 29.4394 179.4347 136 L 3.9650 8.2853 119.2029 57.5885 41.8446 179.3343 137 A 4.0751 8.5766 121.0522 55.5145 18.2145 180.0678 138 R 3.9595 8.2080 115.0215 58.8154 30.3939 179.1054 139 A 4.0778 7.8660 120.3725 55.0482 18.4818 179.2815 140 A 3.8503 7.9976 119.0844 55.4862 18.2341 179.6115 141 A 4.3193 7.6379 117.2021 55.5981 18.3908 179.2758 142 M 4.2740 7.7308 115.3135 56.8422 33.5130 176.5974 143 N 5.0053 8.1315 116.0730 50.7443 39.5137 172.2889 144 P 4.3918 0.0000 0.0000 62.9209 32.4175 177.2448 145 T 4.4530 8.4745 110.7553 60.8671 70.5762 173.6801 146 L 4.7057 7.3489 121.3837 52.7800 44.7797 174.5789 147 E 4.8555 8.5014 119.5204 54.8407 31.5837 176.0663 148 D 4.9262 8.5755 123.6371 52.6299 40.4655 176.4790 149 T 3.9345 8.5962 116.9795 64.4805 68.8687 176.0336 150 G 3.6738 8.0056 107.7307 46.0751 0.0000 172.5564 151 Y 4.2355 7.6475 121.8376 57.0712 38.3825 174.3031 152 Q 4.1163 7.8991 128.8041 54.5883 30.3159 175.4563 153 V 3.4521 8.2602 125.6910 66.2669 33.6670 176.9845 154 E 3.3530 7.5637 109.1013 57.1502 30.6166 177.0086 155 V 3.8028 8.8881 116.6531 62.9878 31.6161 174.3447 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 8.29 4.27 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 L 8.14 3.11 0.00 1.88 1.83 0.89 0.07 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 3 K 7.92 4.53 0.00 1.66 1.72 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.44 7.81 4 Q 7.05 5.31 0.00 1.91 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.62 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 5 V 8.21 4.59 2.09 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 1.01 0.00 0.00 0.93 0.00 0.00 6 E 8.65 4.90 0.00 2.05 1.52 0.00 0.00 0.00 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 2.23 0.00 7 I 8.24 4.99 1.61 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.80 0.00 0.00 8 F 9.47 5.42 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.60 5.33 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 1.30 0.00 0.00 10 D 8.99 4.82 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.60 4.78 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 0.00 0.00 0.00 12 S 9.05 5.10 0.00 3.89 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 13 C 8.58 5.19 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.79 4.33 0.00 1.47 1.62 0.92 0.96 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 15 G 8.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.26 5.10 0.00 2.65 2.68 0.00 0.00 7.13 7.69 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 17 P 0.00 4.50 0.00 2.07 1.99 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 18 G 8.12 4.28 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 0.00 19 P 0.00 5.07 0.00 2.33 2.27 0.00 4.00 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 2.06 1.81 0.00 20 G 9.18 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 21 G 9.47 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.34 5.55 0.00 3.19 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 23 G 9.77 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 24 A 9.44 5.54 1.35 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 25 I 9.12 5.17 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 1.09 0.00 0.00 26 L 9.16 5.23 0.00 1.96 1.67 0.96 0.60 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 27 R 9.04 5.08 0.00 1.94 1.95 0.00 3.52 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 28 Y 8.65 5.04 0.00 2.91 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 29 R 8.78 3.95 0.00 1.83 1.90 0.00 3.40 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.45 0.00 30 G 8.80 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 0.00 0.00 0.00 31 R 7.80 4.86 0.00 1.93 2.03 0.00 2.85 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 32 E 8.62 5.28 0.00 1.98 1.81 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 2.17 2.36 0.00 33 K 9.40 4.65 0.00 1.54 1.30 0.00 1.22 0.00 0.00 1.35 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.32 7.81 34 T 8.07 5.10 4.23 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 1.17 0.00 0.00 35 F 8.68 5.01 0.00 3.16 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 36 S 8.76 4.79 0.00 3.65 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 37 A 6.88 4.22 0.98 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 0.00 0.00 38 G 8.15 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 0.00 0.00 0.00 0.00 39 Y 9.22 5.18 0.00 2.80 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 40 T 9.01 3.92 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 1.22 0.00 0.00 41 R 7.73 4.36 0.00 1.75 1.75 0.00 3.30 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 42 T 8.04 3.69 4.07 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 1.10 0.00 0.00 43 T 8.07 5.06 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 1.28 0.00 0.00 44 N 9.07 4.23 0.00 2.72 2.88 0.00 0.00 7.41 6.41 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 45 N 8.02 4.13 0.00 2.39 1.75 0.00 0.00 7.04 7.66 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 46 R 7.71 3.96 0.00 1.88 1.88 0.00 3.39 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 47 M 7.96 4.05 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 48 E 8.45 4.07 0.00 2.26 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 0.00 2.41 2.57 0.00 49 L 7.88 3.87 0.00 1.88 1.47 -0.07 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.11 3.80 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 51 A 7.69 3.41 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 52 A 7.43 3.94 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 53 I 7.52 3.54 1.87 0.00 0.00 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 1.38 0.71 0.86 0.00 0.00 54 V 7.42 3.37 1.68 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 0.59 0.00 0.00 0.75 0.00 0.00 55 A 7.27 3.40 1.20 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 0.00 0.00 56 L 7.51 3.86 0.00 1.71 1.68 0.86 1.01 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 57 E 8.24 4.13 0.00 1.90 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 2.33 2.41 0.00 58 A 7.27 4.10 1.14 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 0.00 0.00 0.00 59 L 6.98 4.34 0.00 1.79 1.66 0.71 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.35 4.65 0.00 1.70 1.80 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.52 7.81 61 E 7.93 4.64 0.00 2.00 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 2.15 2.26 0.00 62 H 8.83 4.21 0.00 3.07 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.15 4.89 0.00 2.80 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 64 E 8.57 4.79 0.00 2.00 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 2.22 2.22 0.00 65 V 9.18 4.63 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 0.56 0.00 0.00 0.79 0.00 0.00 66 I 8.11 4.59 1.80 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 0.98 1.21 0.91 0.00 0.00 67 L 8.22 4.57 0.00 1.09 0.71 0.43 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.81 5.13 0.00 4.06 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 69 T 9.05 5.16 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 70 D 8.77 5.30 0.00 2.98 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 71 S 7.93 4.23 0.00 3.96 3.92 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 72 Q 8.74 4.02 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 73 Y 7.74 4.33 0.00 3.01 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 74 V 7.96 3.50 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 0.74 0.00 0.00 0.91 0.00 0.00 75 R 7.14 2.51 0.00 1.06 1.42 0.00 2.64 0.00 0.00 2.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.63 3.55 0.00 2.22 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 77 G 6.86 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.57 3.42 1.42 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 1.42 0.35 0.67 0.00 0.00 79 T 7.34 3.65 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 0.80 0.00 0.00 80 Q 7.59 3.91 0.00 1.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.12 1.91 0.00 80B G 7.37 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 0.00 0.00 0.00 81 W 7.00 3.46 0.00 2.08 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 0.00 0.00 0.00 0.00 82 I 7.00 3.53 1.92 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.57 1.13 0.00 0.00 83 H 7.98 4.07 0.00 3.02 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.62 4.12 0.00 2.60 2.57 0.00 0.00 7.12 7.66 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 85 W 7.75 4.29 0.00 2.70 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 86 K 7.25 3.26 0.00 1.53 1.78 0.00 1.80 0.00 0.00 2.15 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.40 7.81 87 K 7.39 4.16 0.00 1.84 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.66 7.81 88 R 7.62 4.60 0.00 1.83 1.92 0.00 3.32 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 89 G 8.72 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 0.00 0.00 0.00 90 W 8.57 3.55 0.00 3.46 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 91 K 7.57 4.88 0.00 1.68 1.73 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.44 7.81 92 T 8.79 4.26 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 1.12 0.00 0.00 93 A 8.56 3.97 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 94 D 7.92 4.79 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.01 3.85 0.00 1.90 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 96 K 7.40 4.50 0.00 1.71 1.65 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.33 7.81 97 P 0.00 4.68 0.00 2.00 2.01 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 98 V 8.14 3.52 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 0.00 0.00 -0.56 0.00 0.00 0.21 0.00 0.00 99 K 8.27 3.94 0.00 1.76 1.84 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 100 N 9.07 4.45 0.00 3.30 2.96 0.00 0.00 6.89 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 0.00 101 V 7.91 3.74 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 0.75 0.00 0.00 0.67 0.00 0.00 102 D 8.01 4.23 0.00 2.85 2.92 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 0.00 103 L 7.76 3.96 0.00 1.76 1.54 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.18 4.69 0.00 3.67 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 0.00 105 Q 8.00 3.81 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.16 2.16 0.00 106 R 7.63 3.93 0.00 2.03 2.15 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 107 L 8.43 4.02 0.00 1.81 2.10 1.12 1.47 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 0.00 108 D 8.92 4.64 0.00 3.29 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 0.00 109 A 8.15 4.07 1.43 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 0.00 0.00 110 A 7.87 4.14 1.42 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 0.00 0.00 111 L 8.07 4.16 0.00 2.09 1.89 1.22 1.01 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 0.00 112 G 7.77 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 0.00 0.00 0.00 113 Q 7.85 4.19 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 114 H 7.72 5.06 0.00 2.99 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.74 4.37 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 116 I 8.23 4.68 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 -0.17 0.00 0.00 117 K 8.65 4.33 0.00 1.59 1.55 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.45 7.81 118 W 8.52 4.40 0.00 2.57 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 0.00 0.00 0.00 0.00 119 E 8.72 4.19 0.00 1.78 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 2.14 2.18 0.00 120 W 8.48 5.52 0.00 3.20 3.03 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 0.00 121 V 8.59 4.46 1.84 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 0.71 0.00 0.00 1.01 0.00 0.00 122 K 8.61 4.50 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 123 G 8.76 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 0.00 124 H 8.64 4.27 0.00 3.27 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.33 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.54 3.83 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 0.00 0.00 0.00 127 H 8.11 5.00 0.00 3.39 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.27 0.00 2.20 2.26 0.00 3.68 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 1.98 2.01 0.00 129 E 7.89 3.88 0.00 1.21 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 1.47 1.91 0.00 130 N 8.01 4.47 0.00 3.06 2.98 0.00 0.00 7.15 7.66 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 0.00 131 E 8.02 3.43 0.00 2.20 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 2.23 2.35 0.00 132 R 8.31 4.02 0.00 1.97 1.97 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 133 C 7.98 4.17 0.00 3.23 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 0.00 134 D 8.09 4.38 0.00 3.14 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 0.00 135 E 8.12 3.99 0.00 2.27 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 2.49 0.00 136 L 8.29 3.97 0.00 1.87 1.73 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.58 4.08 1.46 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 0.00 138 R 8.21 3.96 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.53 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 A 7.87 4.08 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 0.00 140 A 8.00 3.85 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 0.00 141 A 7.64 4.32 1.39 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 0.00 0.00 142 M 7.73 4.27 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 143 N 8.13 5.01 0.00 2.56 2.66 0.00 0.00 7.00 7.88 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 0.00 144 P 0.00 4.39 0.00 2.18 2.16 0.00 3.68 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 1.97 2.09 0.00 145 T 8.47 4.45 4.17 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 1.15 0.00 0.00 146 L 7.35 4.71 0.00 0.74 1.24 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.50 4.86 0.00 1.97 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 2.25 2.35 0.00 148 D 8.58 4.93 0.00 2.78 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 0.00 149 T 8.60 3.93 4.28 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 1.27 0.00 0.00 150 G 8.01 3.67 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 0.00 0.00 0.00 151 Y 7.65 4.24 0.00 3.12 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 0.00 152 Q 7.90 4.12 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 153 V 8.26 3.45 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 0.80 0.00 0.00 0.85 0.00 0.00 154 E 7.56 3.35 0.00 1.89 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 2.25 2.38 0.00 155 V 8.89 3.80 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 0.79 0.00 0.00 0.89 0.00 0.00