NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2574 8.0932 114.7914 57.7833 64.6031 174.3160 2 L 4.0021 8.5725 121.4483 57.7489 41.1275 178.6053 3 L 4.0176 8.7138 119.8814 57.7717 41.9502 178.9091 4 E 4.1123 7.7351 117.7420 59.1117 29.4557 178.8431 5 F 4.6176 8.4596 120.9864 61.3691 39.4212 177.3990 6 G 3.4917 8.4268 105.5174 47.6872 0.0000 175.6453 7 K 4.0315 7.8928 122.0506 59.2492 32.2199 178.6186 8 M 4.2362 8.7259 119.0012 58.7455 32.1036 178.3218 9 I 3.5983 7.8080 120.1119 64.1124 37.1430 178.1859 10 L 4.2555 7.7571 122.4882 57.8077 41.7449 178.8820 11 E 3.9645 8.2401 117.5395 59.2779 29.4270 178.7590 12 E 4.1094 8.1334 118.7846 58.8781 29.9422 177.9725 13 T 4.4418 8.3011 107.4317 60.8831 70.1481 175.6496 14 G 3.9101 8.3001 109.2120 45.2281 0.0000 173.1446 15 K 4.4654 7.6047 119.3922 54.1184 34.1358 175.7007 16 L 4.1424 8.2253 122.5801 54.1741 42.2263 177.6883 17 A 3.9814 8.8477 127.3044 54.6693 18.3273 176.1104 18 I 4.6045 8.4354 116.3784 59.2355 37.8369 174.5040 19 P 5.4642 0.0000 0.0000 62.7526 30.3550 176.9251 20 S 4.2632 5.8100 118.9662 63.0948 63.4022 175.5732 21 Y 4.7244 7.9331 114.6206 57.6852 38.4444 176.5356 22 S 4.7766 8.2578 115.7097 58.8780 64.3186 175.1485 23 S 5.0567 7.7813 117.4190 57.3678 62.9868 172.6371 24 Y 4.8758 8.3648 121.8475 57.8582 40.9383 175.0536 25 G 3.3911 8.0186 116.4275 47.1333 0.0000 173.6320 26 C 4.5887 9.0097 115.1652 57.6204 41.3265 174.3871 27 Y 4.4523 8.7416 114.8203 57.6415 39.5304 174.8735 28 C 4.8810 8.4197 119.1304 58.5210 41.7286 172.5750 29 G 4.6905 8.7221 111.3042 44.9516 0.0000 175.7617 30 W 5.2409 8.8446 132.3116 55.3867 32.1844 174.5621 31 G 4.1619 8.4434 110.5263 46.5306 0.0000 173.7617 32 G 4.1992 8.3647 106.8723 45.8310 0.0000 172.8958 33 K 4.4846 7.5520 117.7766 55.8597 36.1231 176.2469 34 G 3.8853 8.6562 108.6215 45.4773 0.0000 172.4041 35 T 4.4591 8.0254 114.7003 60.6997 69.9638 173.2469 36 P 4.5348 0.0000 0.0000 63.1337 31.8593 176.6448 37 K 3.8343 9.2534 123.3354 59.1441 32.1941 176.2314 38 D 4.4800 7.2862 115.4438 51.2651 42.0069 174.9580 39 A 3.9870 8.8680 119.7200 56.1419 18.2194 179.8900 40 T 4.0184 8.0306 113.5784 66.9996 68.5844 176.2345 41 D 4.6143 8.9825 120.2529 57.4691 41.1459 178.5245 42 R 4.0052 8.2899 118.8872 59.1871 30.0123 178.3058 43 C 4.2198 8.2812 116.6018 60.2558 39.0973 175.5369 44 C 4.3665 8.2597 117.6899 59.7040 40.8750 175.8541 45 F 3.8337 8.3464 122.4225 61.3651 38.8981 177.4232 46 V 3.3331 8.0175 117.9283 66.0430 31.2242 177.4393 47 H 3.8126 8.0679 118.0845 59.1516 29.6746 177.0213 48 D 4.1968 8.2287 121.0735 57.5554 40.4205 178.1637 49 C 4.1436 7.5953 116.0079 59.8517 34.5212 175.0362 50 C 4.2705 8.0444 120.3909 59.9504 44.4302 175.3429 51 Y 4.2928 7.8621 118.4627 60.8897 37.1809 178.5030 52 G 3.7081 7.9551 105.7435 47.1247 0.0000 174.5547 53 N 4.7058 7.6583 116.1183 53.3868 40.4161 175.1429 54 L 4.8199 7.6910 120.3807 52.2197 41.9075 175.2690 55 P 4.2330 0.0000 0.0000 65.4323 31.9414 177.5942 56 D 4.7700 7.9812 114.8698 54.1051 40.8619 176.3391 57 C 4.9758 7.7667 116.8012 55.4602 44.1804 174.1867 58 N 4.8105 7.9056 117.0475 50.1719 38.8927 173.2104 59 P 3.9963 0.0000 0.0000 65.3328 32.1763 179.1881 60 K 3.9548 8.1021 117.2686 59.1317 32.1056 178.7683 61 S 4.3322 7.7616 110.4317 58.9108 64.1616 173.6483 62 D 4.4323 8.0112 121.6003 53.7841 41.0858 175.4213 63 R 5.0355 8.6784 125.6758 54.5131 31.2855 175.1704 64 Y 4.9393 7.5578 118.2068 54.9790 41.0938 174.5465 65 K 4.9680 8.6058 118.4274 54.8843 35.1909 175.1625 66 Y 5.5304 8.3592 120.8789 55.5403 41.2660 173.8840 67 K 4.6671 9.2291 119.2328 55.3200 36.8704 174.8232 68 R 4.8945 8.5530 119.7153 54.9182 31.8822 177.0811 69 V 4.0643 9.1307 125.5529 61.9625 30.7938 174.9529 70 N 4.5319 9.5799 127.2485 53.9314 36.1433 173.9932 71 G 4.1489 8.5407 105.8295 45.7756 0.0000 174.7061 72 A 4.1345 7.7503 122.0684 51.8794 18.9754 176.0924 73 I 4.6646 8.1751 123.0927 60.5524 38.5729 175.5215 74 V 4.3748 8.8521 126.8561 61.0774 34.1480 173.8377 75 C 4.8968 8.8935 126.2209 57.0254 40.6659 173.4600 76 E 4.6235 9.0097 123.8220 54.6649 30.8637 176.3964 77 K 4.1783 8.6278 123.5112 56.9184 33.3306 176.2026 78 G 3.8569 8.7839 117.7728 44.0303 0.0000 172.4975 79 T 4.2170 8.7990 113.8321 60.9657 71.1136 175.5889 80 S 4.0439 8.5100 115.0529 61.8330 62.2782 176.7914 81 C 4.2572 8.1029 118.4762 60.1258 40.9389 175.7101 82 E 4.0025 8.2073 120.0804 59.5484 29.0987 179.2762 83 N 4.2795 8.3665 116.5148 56.4905 38.7409 177.8010 84 R 3.9163 7.9856 119.4211 59.0648 30.0886 179.2481 85 I 3.6857 8.1000 120.2302 64.4047 37.1125 177.5285 86 C 3.0300 7.7397 119.2333 59.4038 38.4385 175.5549 87 E 3.8309 7.8856 119.9217 59.4327 29.0657 178.7553 88 C 4.2000 7.9786 116.4519 60.0039 40.9187 175.9166 89 D 3.8793 8.0467 120.5248 56.9459 40.4052 178.5354 90 K 3.7360 8.3164 120.3608 59.5239 32.0569 178.5859 91 A 3.8707 7.8011 120.4505 55.0490 18.2111 179.4786 92 A 3.4299 7.6981 118.5358 54.9639 18.4180 179.6553 93 A 3.9397 8.1167 119.4161 55.4240 18.3799 179.9777 94 I 3.6280 7.6499 118.2580 64.5732 36.9405 177.8029 95 C 4.1592 7.9702 118.4129 59.6840 38.6129 175.3121 96 F 4.5907 8.0751 119.7170 60.6564 37.9618 177.5847 97 R 3.9299 8.1392 118.3182 59.5761 29.7042 178.3629 98 Q 4.1859 8.3856 118.1182 57.9955 29.2604 176.2169 99 N 5.0659 7.6118 116.4012 52.9369 39.4321 176.4347 100 L 4.1706 7.8298 121.4207 57.7885 41.7603 179.2245 101 N 4.5467 8.2918 114.8236 54.8582 37.3547 175.4214 102 T 4.5513 7.6627 107.3175 61.0792 69.8380 173.7314 103 Y 4.1313 7.9027 124.6569 58.1270 39.6257 174.8136 104 S 5.0036 8.6058 120.6850 56.1925 65.4380 175.0030 105 K 4.2091 8.7049 126.4365 58.7580 32.0705 178.7711 106 K 4.0434 7.4432 117.1913 58.5250 32.6791 177.1060 107 Y 4.4407 7.2207 116.6703 57.9843 38.4219 175.4540 108 M 4.4238 7.4881 120.5940 56.2077 32.5698 175.8676 109 L 3.7204 8.5987 120.9391 55.5779 40.1046 174.5787 110 Y 4.1431 8.1447 118.4923 56.9069 39.4012 173.8036 111 P 4.3866 0.0000 0.0000 62.3649 32.4193 176.9008 112 D 4.3557 8.9022 122.1456 57.2588 41.3753 178.3166 113 F 4.2827 8.4317 112.5722 59.1979 37.8795 175.6494 114 L 3.7025 6.6309 119.6567 55.1970 41.5092 176.6258 115 C 4.6563 7.7717 117.7882 54.8730 39.1576 171.5688 116 K 4.5302 9.4041 123.8939 52.8552 34.0127 176.1369 117 G 4.1241 7.6375 114.1171 44.8959 0.0000 170.7211 118 E 4.5196 8.0960 116.7993 54.2788 31.4644 175.0769 119 L 4.4307 8.4019 125.2915 52.9499 43.9817 175.2575 120 K 4.4373 8.5051 127.4125 55.5513 33.2713 177.2168 121 C 4.5537 8.7571 120.6366 57.4393 41.0886 173.6915 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 S 8.09 5.26 0.00 4.15 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 2 L 8.57 4.00 0.00 1.79 1.83 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.71 4.02 0.00 1.64 1.72 0.92 1.00 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 4 E 7.74 4.11 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 5 F 8.46 4.62 0.00 3.33 3.30 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 6 G 8.43 3.49 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 0.00 7 K 7.89 4.03 0.00 1.84 2.08 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.50 7.81 8 M 8.73 4.24 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 9 I 7.81 3.60 1.76 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.04 0.62 0.00 0.00 10 L 7.76 4.26 0.00 1.75 1.82 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.24 3.96 0.00 2.14 2.06 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 2.40 2.64 0.00 12 E 8.13 4.11 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 2.44 2.36 0.00 13 T 8.30 4.44 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 14 G 8.30 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 0.00 0.00 0.00 15 K 7.60 4.47 0.00 1.84 1.55 0.00 1.26 0.00 0.00 0.85 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.20 7.81 16 L 8.23 4.14 0.00 1.67 1.58 0.90 0.85 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 17 A 8.85 3.98 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 18 I 8.44 4.60 1.88 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 1.43 0.99 0.93 0.00 0.00 19 P 0.00 5.46 0.00 2.27 1.93 0.00 3.62 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 1.88 1.83 0.00 20 S 5.81 4.26 0.00 3.86 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 21 Y 7.93 4.72 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.26 4.78 0.00 4.08 4.16 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 23 S 7.78 5.06 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 24 Y 8.36 4.88 0.00 3.16 2.87 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 25 G 8.02 3.39 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 0.00 26 C 9.01 4.59 0.00 2.97 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 27 Y 8.74 4.45 0.00 3.38 3.34 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 28 C 8.42 4.88 0.00 3.54 3.54 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 29 G 8.72 4.69 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 0.00 0.00 0.00 30 W 8.84 5.24 0.00 3.28 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 31 G 8.44 4.16 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 0.00 0.00 0.00 32 G 8.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.55 4.48 0.00 1.66 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 34 G 8.66 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 0.00 0.00 0.00 35 T 8.03 4.46 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 36 P 0.00 4.53 0.00 1.90 2.07 0.00 3.39 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 37 K 9.25 3.83 0.00 0.79 0.74 0.00 0.90 0.00 0.00 1.23 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 0.46 7.81 38 D 7.29 4.48 0.00 2.87 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 39 A 8.87 3.99 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 40 T 8.03 4.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 41 D 8.98 4.61 0.00 2.96 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 42 R 8.29 4.01 0.00 2.11 1.97 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 43 C 8.28 4.22 0.00 3.21 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 44 C 8.26 4.37 0.00 3.43 3.54 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 45 F 8.35 3.83 0.00 2.61 3.05 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 46 V 8.02 3.33 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 0.91 0.00 0.00 1.00 0.00 0.00 47 H 8.07 3.81 0.00 3.13 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.23 4.20 0.00 2.72 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 49 C 7.60 4.14 0.00 2.81 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 50 C 8.04 4.27 0.00 2.95 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 51 Y 7.86 4.29 0.00 3.06 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 52 G 7.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.66 4.71 0.00 2.81 2.85 0.00 0.00 6.76 8.56 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 54 L 7.69 4.82 0.00 1.71 1.51 0.88 0.86 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 55 P 0.00 4.23 0.00 2.03 2.13 0.00 3.65 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 2.03 2.27 0.00 56 D 7.98 4.77 0.00 2.64 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 57 C 7.77 4.98 0.00 2.98 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 58 N 7.91 4.81 0.00 2.64 2.64 0.00 0.00 6.78 8.03 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 59 P 0.00 4.00 0.00 1.29 0.60 0.00 3.32 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.48 0.00 60 K 8.10 3.95 0.00 1.78 1.83 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.38 7.81 61 S 7.76 4.33 0.00 3.95 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 62 D 8.01 4.43 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 5.04 0.00 1.79 1.80 0.00 3.18 0.00 0.00 3.89 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 64 Y 7.56 4.94 0.00 3.08 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 65 K 8.61 4.97 0.00 1.74 1.94 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.36 7.81 66 Y 8.36 5.53 0.00 3.07 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 67 K 9.23 4.67 0.00 1.80 1.88 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.43 7.81 68 R 8.55 4.89 0.00 1.75 1.96 0.00 3.67 0.00 0.00 3.61 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 69 V 9.13 4.06 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 1.00 0.00 0.00 0.96 0.00 0.00 70 N 9.58 4.53 0.00 2.89 2.87 0.00 0.00 7.49 7.65 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 71 G 8.54 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 0.00 0.00 0.00 72 A 7.75 4.13 1.36 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 0.00 0.00 0.00 73 I 8.18 4.66 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.80 0.00 0.00 74 V 8.85 4.37 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 1.01 0.00 0.00 0.96 0.00 0.00 75 C 8.89 4.90 0.00 2.86 2.96 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 76 E 9.01 4.62 0.00 2.03 1.90 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 2.34 2.31 0.00 77 K 8.63 4.18 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 78 G 8.78 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 79 T 8.80 4.22 4.24 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 1.28 0.00 0.00 80 S 8.51 4.04 0.00 3.90 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 81 C 8.10 4.26 0.00 2.99 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 82 E 8.21 4.00 0.00 2.30 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 0.00 2.56 2.59 0.00 83 N 8.37 4.28 0.00 2.84 2.82 0.00 0.00 7.06 7.75 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 84 R 7.99 3.92 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 85 I 8.10 3.69 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 1.01 0.00 0.00 86 C 7.74 3.03 0.00 1.99 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 87 E 7.89 3.83 0.00 2.09 1.89 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 2.42 2.42 0.00 88 C 7.98 4.20 0.00 3.21 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 89 D 8.05 3.88 0.00 2.72 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 90 K 8.32 3.74 0.00 1.67 1.88 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 91 A 7.80 3.87 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 92 A 7.70 3.43 1.08 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 0.00 0.00 93 A 8.12 3.94 1.36 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 0.00 0.00 0.00 94 I 7.65 3.63 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.87 0.00 0.00 95 C 7.97 4.16 0.00 2.91 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 96 F 8.08 4.59 0.00 3.07 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 97 R 8.14 3.93 0.00 2.04 2.15 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 98 Q 8.39 4.19 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 99 N 7.61 5.07 0.00 2.91 2.85 0.00 0.00 6.83 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 0.00 100 L 7.83 4.17 0.00 1.79 1.75 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.29 4.55 0.00 2.87 2.99 0.00 0.00 5.84 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.66 4.55 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 1.27 0.00 0.00 103 Y 7.90 4.13 0.00 3.02 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 0.00 104 S 8.61 5.00 0.00 3.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.70 4.21 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.53 7.81 106 K 7.44 4.04 0.00 1.56 1.72 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.57 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.81 0.21 7.81 107 Y 7.22 4.44 0.00 1.98 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 0.00 0.00 0.00 108 M 7.49 4.42 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 109 L 8.60 3.72 0.00 1.80 1.77 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.14 4.14 0.00 3.07 3.05 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 0.00 111 P 0.00 4.39 0.00 2.07 2.15 0.00 2.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 112 D 8.90 4.36 0.00 2.71 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 0.00 113 F 8.43 4.28 0.00 3.20 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 0.00 114 L 6.63 3.70 0.00 0.97 1.48 0.31 0.17 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 0.00 115 C 7.77 4.66 0.00 3.07 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 0.00 116 K 9.40 4.53 0.00 1.65 1.65 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.34 7.81 117 G 7.64 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 0.00 0.00 0.00 118 E 8.10 4.52 0.00 2.05 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 0.00 2.17 2.27 0.00 119 L 8.40 4.43 0.00 1.38 1.22 -0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.51 4.44 0.00 1.80 1.73 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.51 7.81 121 C 8.76 4.55 0.00 2.97 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