NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.0777 8.3049 120.3315 54.9907 33.8340 176.0596 6 F 4.5144 7.8956 121.3982 55.0792 38.2199 172.9237 7 D 4.9534 9.8106 126.0865 53.9473 44.6156 175.1440 8 S 5.2106 8.1595 113.9605 57.0958 67.0608 172.8528 9 I 5.0989 9.1433 124.8824 59.3825 40.9387 174.0646 10 L 4.5606 8.9139 129.5364 53.2154 44.0009 175.0416 11 V 4.5909 8.9191 127.9746 61.9388 33.3993 174.6502 12 I 5.5855 9.2133 128.5609 58.5369 40.2399 173.2633 13 C 4.6579 8.3304 123.3197 58.5974 32.9666 173.9190 14 T 4.1164 8.7260 109.7765 65.7762 68.7941 177.3801 15 G 3.6259 7.9280 108.2157 46.0677 0.0000 172.3937 16 N 4.7076 8.3784 116.9774 53.6173 37.4394 174.3055 17 I 4.5701 7.5253 107.8946 59.8176 38.7791 174.3878 18 C 4.8623 7.1433 116.2375 61.2634 31.5713 176.1925 19 R 3.8899 7.8121 118.4419 59.7073 30.1938 179.4022 20 S 3.9214 7.8123 113.4082 60.7850 63.0412 174.4917 21 P 4.1531 0.0000 0.0000 65.2225 31.0743 178.6040 22 I 3.8082 7.4365 117.4958 64.3860 37.1151 178.7141 23 G 3.3473 8.1196 106.9249 47.5170 0.0000 175.1269 24 E 3.9862 8.3172 121.9489 59.4438 29.5270 179.3576 25 R 4.0522 8.0314 117.7950 58.8624 30.0393 179.1111 26 L 4.0819 8.1197 119.0836 57.9333 41.7022 179.5531 27 L 4.1259 8.1752 118.8603 57.7365 41.1370 179.7482 28 R 4.0193 8.1069 118.2525 59.4159 29.7705 179.3210 29 R 4.0225 7.6361 116.9431 59.0633 30.1433 178.7286 30 L 4.2904 7.6509 117.8461 56.2196 43.3575 177.4421 31 L 4.8433 8.3989 117.9575 52.4590 41.7517 175.4636 32 P 4.6393 0.0000 0.0000 63.7206 31.9254 177.6702 33 S 4.5606 7.9431 111.3905 58.2124 63.8338 173.8695 34 K 4.5832 7.5603 120.5881 54.6993 34.3579 176.4792 35 K 4.2914 8.3374 123.9905 56.2488 32.7563 175.5453 36 I 5.1289 8.3723 128.3321 59.8225 39.9708 174.8182 37 N 5.3643 9.3423 123.3980 51.3295 43.5258 172.9681 38 S 5.5356 8.4945 112.0480 57.5396 66.4902 172.6226 39 A 4.5886 8.0434 120.3251 51.5147 22.5423 175.1655 40 G 4.3694 8.9020 105.8892 44.6968 0.0000 174.1612 41 V 4.1371 8.4998 115.1456 61.2543 32.0129 176.4481 42 G 4.3255 8.2889 108.8295 45.1813 0.0000 172.9005 43 A 4.2743 8.0437 120.3020 51.8635 20.0407 179.7930 44 L 4.1369 8.5369 122.3848 52.9242 40.4904 175.3801 45 V 4.0022 7.7491 122.2457 64.0037 31.9675 176.0978 46 D 4.7278 8.9407 126.2224 54.6579 39.4064 173.9703 47 H 4.7290 7.9537 117.4982 55.2638 30.1253 175.3878 48 T 4.5357 8.4412 112.0562 61.0707 69.8193 173.6665 49 A 4.3355 8.5457 123.4912 51.8358 19.2056 177.2226 50 D 4.4913 9.0123 120.1539 54.1661 42.2513 177.4514 51 E 3.9342 8.9567 125.0737 59.8992 29.5181 180.0096 52 S 3.7114 7.9672 114.2020 60.9384 62.5517 176.7583 53 A 3.9980 7.6454 123.1911 55.2721 18.3148 179.4165 54 I 3.5979 7.9632 118.7500 64.4295 37.0769 178.4646 55 R 3.7901 8.0763 119.9211 59.5940 29.6869 179.0356 56 V 3.4917 7.4609 117.0928 64.6697 31.6606 177.6458 57 A 3.9720 8.1884 121.6026 55.0221 18.2500 179.1273 58 E 3.8334 8.7074 116.3790 59.4657 29.4694 179.4975 59 K 3.8204 7.8344 118.3819 59.3914 32.6207 177.3963 60 N 4.7909 7.9688 114.9164 52.1649 38.5634 175.4522 61 G 4.3609 8.3807 107.8792 46.6767 0.0000 173.7735 62 L 4.7081 7.1213 118.4098 52.7414 44.2584 174.7560 63 C 4.6698 8.6177 125.1416 57.9640 32.9921 173.0710 64 L 4.6708 8.3214 125.3369 54.3575 41.7941 176.3502 65 K 4.1564 7.7906 118.5106 57.6667 32.4432 177.5899 66 G 3.9395 8.8465 109.9670 45.6132 0.0000 173.1637 67 H 4.4865 7.5159 118.0949 56.1184 30.7511 174.7161 68 R 4.5632 7.8092 123.4850 54.2013 33.0889 174.7019 69 G 3.8221 9.0877 114.4039 47.3964 0.0000 172.1946 70 T 4.9719 9.8938 122.4109 61.3382 72.4025 173.2771 71 K 4.5013 8.6508 127.5164 55.9948 33.1572 175.9986 72 F 4.4409 9.2192 131.5065 58.3622 40.0481 174.4190 73 T 4.4009 7.5324 114.7837 58.7854 71.6791 174.7390 74 S 3.8878 8.3053 115.1760 61.3230 62.0703 175.8624 75 A 3.9867 7.7056 122.1691 54.9820 18.4810 178.8791 76 L 4.2113 7.8117 118.6749 58.3007 42.1700 179.0710 77 A 4.2137 7.7120 120.6554 54.9387 18.1163 179.1588 78 R 4.1922 7.5196 111.3791 57.9487 29.7960 177.8288 79 Q 4.1873 7.9305 117.9533 55.7544 29.4126 174.8808 80 Y 4.7445 7.4415 117.5622 56.1753 41.3672 175.3136 81 D 4.7105 8.8659 122.5019 56.1502 42.1531 176.6421 82 L 5.0109 8.4606 120.1102 53.1240 45.7487 175.2315 83 L 5.1227 8.7727 125.6769 52.9204 44.6388 175.3105 84 L 5.6946 8.5275 122.9630 52.2976 44.5507 176.1455 85 V 5.0641 8.0844 116.7989 59.3324 34.3053 177.0821 86 M 4.1235 8.6630 122.3159 57.5962 33.2543 176.4817 87 E 4.9610 8.0123 116.4141 53.9559 33.3885 176.2370 88 Y 4.0418 8.9690 120.3707 61.4791 38.1166 179.6117 89 S 4.2273 8.1827 114.2676 61.6850 62.9101 176.1263 90 H 4.3270 8.0965 120.0928 58.5115 28.3315 177.3144 91 L 3.9280 7.7736 120.5808 58.0425 41.4859 179.4395 92 E 4.0505 7.6640 118.2700 59.1374 29.4978 179.6156 93 Q 4.2100 8.0630 117.1945 58.6519 28.0448 178.7890 94 I 3.6884 7.6368 121.5318 64.4029 37.2277 178.3970 95 S 4.6223 8.1272 115.0272 61.6586 62.4080 176.7786 96 R 4.0272 8.2988 121.1596 58.9653 29.9113 178.4865 97 I 4.2145 7.7838 117.6650 62.4119 39.1880 176.4683 98 A 4.7497 9.3597 121.6842 48.5029 19.2606 174.0696 99 P 4.3506 0.0000 0.0000 65.1336 31.7752 177.9331 100 E 4.1582 8.2552 113.1981 58.2354 29.8734 177.6331 101 A 4.5123 8.2008 121.5426 52.8521 19.8039 178.5839 102 R 3.9728 7.9736 117.7307 59.4897 29.8472 178.4035 103 G 3.8209 8.1594 105.6349 47.0589 0.0000 173.8117 104 K 4.6364 8.3738 119.2420 56.6777 32.9173 174.8660 105 T 5.0542 7.6525 115.5786 62.9144 70.1353 173.8882 106 M 4.9051 9.0633 124.7846 53.0681 37.3504 174.5209 107 L 4.4361 8.2525 120.1343 54.6009 42.3197 178.1883 108 F 3.9666 9.5060 126.9101 61.0741 39.5396 176.0320 109 G 4.4585 8.0240 106.9665 44.8069 0.0000 174.5309 110 H 3.6777 8.0968 122.3636 58.7419 29.5688 176.1799 111 W 4.4175 7.3821 115.1155 57.0333 29.2294 176.1782 112 L 4.5018 7.5919 119.2626 53.5503 42.4050 176.7689 113 D 4.3604 8.7968 120.5465 57.0747 40.8270 177.0320 114 S 4.6646 7.7797 114.2371 56.3399 63.2399 173.6253 115 K 4.3545 8.6159 128.5024 58.8836 32.3647 176.8925 116 E 4.4887 8.1029 119.6882 55.9126 30.4568 176.1714 117 I 4.3084 8.2174 128.2089 59.4224 37.8193 174.2157 118 P 4.4463 0.0000 0.0000 62.1572 32.4089 175.9171 119 D 4.4564 8.5091 121.9438 53.3097 41.2903 174.3887 120 P 4.2346 0.0000 0.0000 62.7134 32.1689 175.0102 121 Y 4.6109 8.1417 121.2818 59.8385 38.7867 176.8369 122 R 3.8604 8.8491 124.1736 56.6293 28.2862 176.0305 123 M 4.4453 8.0374 118.2222 53.7663 33.6462 176.2694 124 S 4.4767 8.2821 114.5554 58.4713 65.0784 174.7228 125 D 4.5099 8.6801 122.1306 57.7390 40.5207 178.9383 126 E 4.1791 8.2939 118.3896 59.3836 29.3902 179.1274 127 A 4.0415 8.0628 120.9063 55.0663 18.4701 179.6778 128 F 3.9105 8.5211 116.3974 60.6284 38.9392 177.5750 129 D 4.4388 8.6844 118.9763 57.4912 40.5847 178.7427 130 S 4.1238 8.0895 113.5308 61.5226 62.3311 176.4358 131 V 3.5847 8.0931 121.1403 65.9084 31.1626 177.1885 132 Y 3.9753 8.6517 119.7165 60.9339 38.6114 177.8215 133 Q 4.0449 8.4430 120.3349 59.3721 29.0126 178.6204 134 L 3.9936 7.7913 119.5170 57.8978 41.7382 179.4537 135 L 4.1338 8.0869 119.0805 57.6337 41.4354 179.3605 136 E 3.8017 8.2717 119.6156 59.3142 29.7613 178.7110 137 Q 3.9697 8.2532 118.0057 59.0733 28.7525 178.9786 138 A 4.0563 8.2549 121.6117 55.2296 18.3618 179.8121 139 S 4.0638 8.3192 113.6371 61.7372 62.9603 177.0126 140 K 3.9409 8.0316 121.0575 59.5910 31.8991 179.6185 141 R 3.6990 7.8493 117.8054 59.0043 30.0344 179.0685 142 W 4.1783 8.4299 118.8556 59.8702 28.9645 178.4444 143 A 4.0916 8.4869 120.9785 55.1303 17.5459 179.3300 144 E 3.8550 7.8490 117.2126 59.2219 29.7506 178.8394 145 K 4.1227 7.5662 117.4058 58.2549 32.2389 178.2965 146 L 4.7386 7.8693 117.0506 54.6791 42.1953 177.1786 147 G 4.1151 7.6099 107.0572 44.8107 0.0000 173.6032 148 E 4.2367 7.8969 123.2163 56.1858 29.7910 175.4659 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 5 M 8.30 4.08 0.00 1.62 2.02 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.28 0.00 6 F 7.90 4.51 0.00 3.20 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 7 D 9.81 4.95 0.00 2.81 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 8 S 8.16 5.21 0.00 3.87 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 9 I 9.14 5.10 1.89 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 1.02 0.78 0.79 0.00 0.00 10 L 8.91 4.56 0.00 0.81 1.32 0.50 0.62 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 11 V 8.92 4.59 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 0.71 0.00 0.00 1.01 0.00 0.00 12 I 9.21 5.59 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.57 0.59 0.00 0.00 13 C 8.33 4.66 0.00 2.87 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 14 T 8.73 4.12 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 1.20 0.00 0.00 15 G 7.93 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 16 N 8.38 4.71 0.00 2.81 2.85 0.00 0.00 7.11 7.94 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 17 I 7.53 4.57 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 1.00 0.00 0.00 18 C 7.14 4.86 0.00 2.99 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 19 R 7.81 3.89 0.00 1.74 1.79 0.00 3.04 0.00 0.00 3.56 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 20 S 7.81 3.92 0.00 4.06 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 21 P 0.00 4.15 0.00 2.04 1.68 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 22 I 7.44 3.81 2.00 0.00 0.00 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 1.59 1.01 0.95 0.00 0.00 23 G 8.12 3.35 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 24 E 8.32 3.99 0.00 2.06 2.20 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 2.34 2.39 0.00 25 R 8.03 4.05 0.00 1.93 2.01 0.00 3.38 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 26 L 8.12 4.08 0.00 1.95 1.78 0.79 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.18 4.13 0.00 1.78 1.77 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.11 4.02 0.00 2.12 2.02 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 29 R 7.64 4.02 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 30 L 7.65 4.29 0.00 1.78 1.76 1.06 1.31 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 31 L 8.40 4.84 0.00 1.73 1.58 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.64 0.00 2.06 2.13 0.00 3.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 33 S 7.94 4.56 0.00 3.98 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 34 K 7.56 4.58 0.00 1.73 1.92 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 35 K 8.34 4.29 0.00 1.86 1.71 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.53 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.53 1.45 7.81 36 I 8.37 5.13 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.95 0.00 0.00 37 N 9.34 5.36 0.00 2.63 2.68 0.00 0.00 6.37 7.11 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 38 S 8.49 5.54 0.00 3.82 3.75 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 39 A 8.04 4.59 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 40 G 8.90 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 0.00 0.00 0.00 0.00 41 V 8.50 4.14 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 0.40 0.00 0.00 0.96 0.00 0.00 42 G 8.29 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 0.00 0.00 0.00 43 A 8.04 4.27 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 44 L 8.54 4.14 0.00 1.61 1.26 0.84 0.51 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 45 V 7.75 4.00 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 0.79 0.00 0.00 0.92 0.00 0.00 46 D 8.94 4.73 0.00 2.93 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 47 H 7.95 4.73 0.00 3.32 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.44 4.54 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 1.21 0.00 0.00 49 A 8.55 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 9.01 4.49 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.96 3.93 0.00 2.01 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 2.38 2.40 0.00 52 S 7.97 3.71 0.00 3.18 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 53 A 7.65 4.00 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 54 I 7.96 3.60 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.89 0.00 0.00 55 R 8.08 3.79 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 56 V 7.46 3.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 57 A 8.19 3.97 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 58 E 8.71 3.83 0.00 1.93 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 2.32 2.53 0.00 59 K 7.83 3.82 0.00 1.87 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 60 N 7.97 4.79 0.00 2.23 2.72 0.00 0.00 6.92 7.87 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 61 G 8.38 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 0.00 0.00 0.00 0.00 62 L 7.12 4.71 0.00 1.77 1.76 1.01 1.04 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 63 C 8.62 4.67 0.00 2.97 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 64 L 8.32 4.67 0.00 1.78 1.64 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.79 4.16 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 66 G 8.85 3.94 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 0.00 0.00 0.00 67 H 7.52 4.49 0.00 3.26 3.31 0.00 5.90 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 68 R 7.81 4.56 0.00 1.74 1.65 0.00 3.29 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 69 G 9.09 3.82 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 0.00 0.00 0.00 70 T 9.89 4.97 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 71 K 8.65 4.50 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 72 F 9.22 4.44 0.00 2.97 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 73 T 7.53 4.40 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 1.12 0.00 0.00 74 S 8.31 3.89 0.00 4.03 3.82 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 75 A 7.71 3.99 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 76 L 7.81 4.21 0.00 1.69 1.59 1.05 1.25 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 77 A 7.71 4.21 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 78 R 7.52 4.19 0.00 2.02 2.08 0.00 3.04 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 79 Q 7.93 4.19 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 80 Y 7.44 4.74 0.00 2.99 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 81 D 8.87 4.71 0.00 2.81 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 82 L 8.46 5.01 0.00 1.85 1.43 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.77 5.12 0.00 1.65 1.46 1.03 0.45 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 84 L 8.53 5.69 0.00 1.61 1.60 -0.04 -0.09 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 85 V 8.08 5.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 86 M 8.66 4.12 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 87 E 8.01 4.96 0.00 1.55 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 0.00 2.21 2.17 0.00 88 Y 8.97 4.04 0.00 3.09 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 89 S 8.18 4.23 0.00 4.03 4.13 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 90 H 8.10 4.33 0.00 3.36 3.24 0.00 5.66 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 91 L 7.77 3.93 0.00 1.80 1.74 1.04 0.63 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 92 E 7.66 4.05 0.00 2.34 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 0.00 2.34 2.27 0.00 93 Q 8.06 4.21 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 94 I 7.64 3.69 2.04 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 1.66 0.93 0.94 0.00 0.00 95 S 8.13 4.62 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 96 R 8.30 4.03 0.00 2.01 2.07 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 97 I 7.78 4.21 2.25 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 1.02 0.00 0.00 98 A 9.36 4.75 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.35 0.00 2.19 2.16 0.00 3.64 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 2.14 2.40 0.00 100 E 8.26 4.16 0.00 2.14 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 2.31 2.34 0.00 101 A 8.20 4.51 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 0.00 102 R 7.97 3.97 0.00 2.00 2.09 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 103 G 8.16 3.82 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 0.00 0.00 0.00 104 K 8.37 4.64 0.00 2.20 2.08 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.46 7.81 105 T 7.65 5.05 4.34 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 1.18 0.00 0.00 106 M 9.06 4.91 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 107 L 8.25 4.44 0.00 1.48 1.47 -0.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.51 3.97 0.00 2.99 3.11 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 0.00 109 G 8.02 4.46 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 0.00 110 H 8.10 3.68 0.00 3.02 2.70 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 7.38 4.42 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.59 4.50 0.00 1.84 1.60 1.03 1.38 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 0.00 113 D 8.80 4.36 0.00 2.67 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 0.00 114 S 7.78 4.66 0.00 3.82 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 0.00 115 K 8.62 4.35 0.00 1.82 1.67 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.66 1.44 7.81 116 E 8.10 4.49 0.00 2.15 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 2.31 2.53 0.00 117 I 8.22 4.31 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.86 0.00 0.00 118 P 0.00 4.45 0.00 1.89 1.96 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 119 D 8.51 4.46 0.00 2.78 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 0.00 120 P 0.00 4.23 0.00 0.49 1.68 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 121 Y 8.14 4.61 0.00 2.88 3.02 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 0.00 122 R 8.85 3.86 0.00 1.83 1.94 0.00 2.96 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 123 M 8.04 4.45 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 124 S 8.28 4.48 0.00 4.21 4.04 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 0.00 0.00 0.00 125 D 8.68 4.51 0.00 2.73 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 0.00 126 E 8.29 4.18 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 127 A 8.06 4.04 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 0.00 128 F 8.52 3.91 0.00 3.27 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 0.00 129 D 8.68 4.44 0.00 2.92 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 0.00 130 S 8.09 4.12 0.00 3.94 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 0.00 131 V 8.09 3.58 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 0.95 0.00 0.00 0.88 0.00 0.00 132 Y 8.65 3.98 0.00 3.26 3.19 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 0.00 133 Q 8.44 4.04 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 134 L 7.79 3.99 0.00 1.91 1.73 0.95 1.08 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 0.00 135 L 8.09 4.13 0.00 1.61 1.60 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.27 3.80 0.00 1.71 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 2.31 2.33 0.00 137 Q 8.25 3.97 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 138 A 8.25 4.06 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.32 4.06 0.00 4.15 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 0.00 140 K 8.03 3.94 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 141 R 7.85 3.70 0.00 1.96 1.65 0.00 3.14 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 142 W 8.43 4.18 0.00 3.46 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 0.00 143 A 8.49 4.09 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 0.00 144 E 7.85 3.85 0.00 1.88 1.97 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 2.10 2.23 0.00 145 K 7.57 4.12 0.00 1.71 1.71 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.48 0.21 7.81 146 L 7.87 4.74 0.00 1.75 1.81 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.61 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 0.00 148 E 7.90 4.24 0.00 2.00 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 2.34 2.23 0.00