NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3564 8.2931 120.3488 54.7475 33.3919 174.9169 1 G 3.6703 8.7972 114.4608 46.2038 0.0000 171.0083 2 S 4.4635 8.2961 121.3794 59.1206 68.4082 174.1940 3 T 3.3142 9.1484 115.1098 63.8208 67.9401 174.9277 4 K 3.9720 8.9362 121.2661 59.3401 32.8213 177.7757 5 L 3.9323 7.6613 120.5438 58.0778 42.0633 178.8250 6 K 4.0481 8.1944 119.1384 59.6727 32.1524 178.7055 7 G 3.7134 8.1500 105.8302 47.9817 0.0000 175.3400 8 D 4.5272 8.4622 121.0638 56.5793 40.7133 179.0617 9 I 3.7559 7.7909 120.6790 64.2967 37.2295 178.0143 10 A 3.6224 8.0437 121.6509 55.1722 18.1813 179.3793 11 Q 3.9629 8.1882 117.9884 59.5237 29.0089 178.4569 12 Q 4.0125 8.0139 119.8906 58.8253 29.0454 177.9884 13 A 3.9505 8.1953 122.1544 55.1322 18.4021 179.4832 14 A 3.8490 8.2348 119.2839 55.1374 18.4808 179.9093 15 I 3.7099 7.7188 118.5393 65.0118 37.1705 178.5781 16 M 4.0222 7.8408 119.2691 58.1039 31.6488 178.7872 17 R 3.5149 7.9310 118.0436 59.2032 30.2535 178.6521 18 A 3.2652 7.2931 120.0122 55.1147 18.2025 179.6911 19 L 3.8168 7.4663 116.8836 57.7642 41.5131 179.5159 20 K 4.0307 7.7532 116.0296 57.9103 32.0830 178.0431 21 M 3.9608 6.6992 118.0335 54.0699 31.9768 176.4503 22 G 3.7477 7.3986 106.7197 45.7426 0.0000 174.0973 23 W 4.9050 7.4749 118.9593 55.5610 30.4043 176.5818 24 G 3.9740 8.9487 109.3878 46.1341 0.0000 172.8629 25 V 5.0809 8.3327 121.2545 60.8095 34.4531 174.4720 26 L 4.8546 9.1344 127.8031 52.9510 44.3803 175.4348 27 K 4.9560 8.7401 123.4825 54.1544 33.8411 174.7446 28 P 4.6872 0.0000 0.0000 61.9505 32.9919 176.5006 29 L 2.9433 7.4267 112.2061 56.8268 42.0701 179.2876 30 G 4.0323 7.8218 110.1793 44.2750 0.0000 172.2906 31 D 4.7027 8.4318 117.3550 53.5312 39.0981 176.4382 32 R 4.5338 7.4367 112.4760 55.1722 31.3046 176.3509 33 L 4.3803 7.3975 119.0697 53.4741 43.1036 176.8209 34 S 4.7684 8.2873 114.1475 58.8060 63.2000 173.4232 35 Y 4.8475 6.7981 116.9350 55.8806 40.8633 174.5333 36 D 4.7038 8.6757 121.3517 56.1084 42.1732 176.7692 37 L 5.1045 7.7139 115.8095 52.9097 46.8837 175.7619 38 V 4.5835 8.4341 120.0497 61.2430 34.5661 174.1985 39 F 5.3952 8.7684 127.4785 56.5955 40.8019 174.6248 40 D 4.9057 9.0958 124.6929 53.6367 42.0649 175.2243 41 V 3.9761 8.8932 128.0985 60.8557 33.2365 175.6777 42 E 3.9207 9.9830 130.0294 57.3568 27.1048 175.7375 43 G 4.0563 8.6090 107.2188 45.0742 0.0000 174.0850 44 I 4.2799 7.6432 120.7281 60.1732 38.9500 174.9283 45 L 4.9459 8.3789 126.3221 53.5163 42.8934 175.9439 46 L 4.9299 8.8652 123.6789 52.7855 45.7318 175.5685 47 K 4.4655 9.8880 123.3247 55.2115 33.9406 176.0481 48 V 4.7454 8.5709 118.2148 59.4206 35.2012 174.4327 49 Q 4.3394 8.4327 126.1477 54.2308 30.5368 174.2794 50 V 4.6364 8.3632 127.4373 61.8970 33.0357 175.4367 51 K 4.7408 8.9081 126.1650 54.8707 36.4112 174.9823 52 S 5.1890 8.9370 120.0992 57.1257 63.4431 173.9594 53 S 4.7862 8.8113 122.8712 57.5269 64.7516 173.2011 54 W 5.2284 7.8104 116.1768 54.2401 31.5411 174.7055 55 K 3.9210 9.0034 123.5421 56.4306 32.2161 176.9344 56 S 4.4481 9.2564 124.8579 57.2489 61.2657 173.9565 57 E 3.9390 8.8101 129.2736 59.0223 29.7578 178.3074 58 K 4.0597 8.1861 118.5000 59.4874 32.3539 177.3540 59 T 4.1135 7.8916 110.3453 61.7703 67.7768 174.9002 60 G 3.7865 8.4789 108.8585 46.4565 0.0000 172.6459 61 N 4.9005 7.6473 115.7437 51.2335 42.7390 172.6932 62 Y 4.9394 8.2661 117.6217 56.6603 40.1149 175.7711 63 V 4.5477 7.7515 115.6666 59.5395 36.3034 174.9681 64 V 4.0475 7.8194 114.7872 59.5426 36.2216 173.8481 65 D 5.0870 8.9566 122.7788 52.8962 42.4610 175.5253 66 N 5.0095 8.4148 122.0667 52.4480 38.2185 174.4634 67 R 4.7204 7.8557 116.0125 54.4096 31.8181 175.5680 68 R 4.0860 8.1799 120.9886 56.5233 29.5270 174.8786 69 T 4.4007 8.3677 120.9147 61.4896 68.1307 173.6056 70 R 4.6314 8.5420 126.9450 54.9956 31.4545 175.0469 71 T 4.7811 8.0000 116.4587 60.9180 71.8609 171.7196 72 N 4.1177 9.1598 113.0656 54.4247 36.4926 175.0605 73 R 4.4494 7.5276 114.6469 55.8395 35.2025 175.4980 74 R 3.9209 8.3796 115.0172 57.1565 29.0379 175.1470 75 N 4.7464 7.8343 113.1853 52.2109 41.7163 173.9676 76 I 3.8621 8.4498 124.6116 60.8408 38.3111 175.0098 77 V 4.4049 7.9633 121.8537 59.6235 34.4093 175.2215 78 R 4.7342 8.7231 124.7355 54.6207 31.1171 175.0881 79 S 4.6969 8.1814 119.0785 55.9713 64.8653 173.0979 80 P 4.6582 0.0000 0.0000 62.5922 32.7899 174.9065 81 Y 4.7718 8.5739 116.2601 56.9138 39.6993 175.8921 82 R 4.3989 9.5959 122.4479 55.1597 31.2723 178.2910 83 G 3.4859 8.5421 108.3748 47.7704 0.0000 174.2641 84 N 4.8002 7.8337 115.0341 52.5960 37.7413 175.3966 85 D 4.6259 7.7330 121.1764 57.4663 41.1341 175.6938 86 F 4.8111 7.0027 110.8158 56.4639 40.4555 172.1875 87 D 4.5843 9.1268 118.5066 55.5605 43.2977 177.1734 88 F 5.3299 8.1227 115.3868 55.7144 43.7366 173.4705 89 A 4.5169 9.4329 125.4822 50.2493 21.0626 176.0446 90 V 4.7677 8.5687 117.1654 59.5471 33.4529 175.2016 91 A 4.9487 8.8348 128.2325 51.8124 19.9877 175.3537 92 Y 4.7962 8.9619 122.2126 55.7123 42.3730 174.6564 93 V 3.9830 8.0918 126.8128 60.4460 32.5662 174.7304 94 E 3.6428 7.4786 127.6464 56.6397 30.3593 174.9460 95 E 4.3039 8.8996 123.5354 55.7432 29.1660 175.1182 96 L 4.4920 7.2389 113.8963 53.4923 42.5798 175.6469 97 E 3.7416 7.7070 116.6686 57.0495 27.4643 174.0283 98 L 4.7156 7.6677 119.7866 53.5242 44.4474 174.9108 99 F 5.5623 9.0769 124.2026 56.0426 42.5464 173.6416 100 Y 4.6946 9.3151 120.8880 56.2305 40.4472 175.0064 101 V 4.3949 7.6548 116.6334 59.5023 33.8396 175.0917 102 F 4.9399 9.0481 124.9158 54.8752 41.7582 174.1355 103 P 4.4154 0.0000 0.0000 62.1446 32.3144 177.4778 104 V 3.4612 7.8787 115.1298 65.1960 31.5795 178.8467 105 D 4.4077 7.9583 117.4659 57.5836 40.4818 179.1685 106 V 3.9522 7.6479 112.5513 63.0185 32.1845 178.0796 107 F 4.1276 8.3081 121.1248 61.1983 39.1329 177.2986 108 I 4.0995 8.2512 111.6669 63.4151 37.2669 177.7594 109 S 4.2094 7.7155 114.8632 59.7273 63.0287 173.8021 110 Y 3.9599 7.0163 119.7897 57.4768 38.2347 175.4980 111 G 3.8904 8.6121 113.2224 45.1836 0.0000 174.8131 112 S 3.6410 8.7197 123.0410 58.9887 63.1460 175.1626 113 E 4.5774 9.2577 114.0017 56.0951 30.2182 175.1522 114 I 4.2400 8.4563 117.1946 59.2864 40.0781 174.0115 115 H 5.0561 8.8326 122.9382 53.9962 31.2501 174.1751 116 L 4.4500 8.5927 122.2688 53.1465 43.5742 177.6209 117 V 3.8388 8.8452 123.8617 65.4204 31.8464 176.6251 118 E 4.1264 8.4333 115.8776 56.8350 28.2086 173.4278 119 T 4.7223 7.4239 108.9717 59.5624 70.2075 173.3041 120 D 4.5244 8.6162 126.8701 54.9029 41.6321 177.1457 121 K 3.7917 8.5098 119.2742 55.4249 28.0806 175.1886 122 R 4.8132 7.6619 120.4059 53.6533 34.4162 175.7214 123 Q 4.1005 8.9374 120.0429 58.7874 28.8214 177.1002 124 R 4.6890 7.6474 113.2034 53.9529 33.6907 174.7316 125 K 4.5475 8.0828 118.1804 54.3328 34.5822 174.7642 126 P 4.5468 0.0000 0.0000 62.4009 32.0166 177.2278 127 R 4.2535 8.7344 119.9771 58.5834 30.0467 177.3653 128 S 5.1267 8.2785 110.5013 60.3413 64.2970 174.9209 129 F 4.5358 9.3458 125.1297 61.7452 38.9765 177.3670 130 G 3.3097 8.2122 104.6818 46.0032 0.0000 173.2447 131 Y 4.4447 7.8600 115.7203 56.6404 39.4578 175.7698 132 R 2.7883 7.7953 119.2391 57.4435 30.1809 175.6198 133 E 3.5578 8.2564 124.0522 56.9193 29.1907 174.3804 134 A 4.2458 7.1648 115.8519 51.2605 18.5301 180.3268 135 W 4.3522 7.9292 122.8903 60.3465 29.8880 178.9178 136 H 4.4153 8.2870 114.6344 58.5800 27.5677 177.4404 137 L 4.0472 7.8110 121.9641 57.0871 41.1825 178.7072 138 I 3.5996 7.1006 110.9025 62.0290 38.2606 177.7472 139 L 4.1686 7.7197 121.2305 58.0861 41.6224 178.4901 140 Q 4.2254 8.4033 118.2263 57.8988 28.4771 176.4101 141 K 4.3609 7.6945 125.4356 58.9535 32.6931 174.8632 142 G 3.5249 9.1813 120.0857 45.8705 0.0000 174.9720 143 A 3.9878 7.6089 123.3340 54.4749 18.6314 178.7997 144 A 4.1279 8.4613 118.7875 55.3326 18.7116 178.8491 145 Q 3.9992 8.2688 118.2885 59.6478 29.3731 177.3074 146 K 3.9135 7.6345 118.1867 55.6376 32.1609 178.7009 147 E 4.1886 8.8299 122.3387 56.0783 29.3949 174.3294 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 0 M 8.29 4.36 0.00 1.98 2.04 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 2.62 0.00 1 G 8.80 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 2 S 8.30 4.46 0.00 3.82 3.74 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 3 T 9.15 3.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 K 8.94 3.97 0.00 1.85 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 L 7.66 3.93 0.00 1.76 1.68 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.19 4.05 0.00 1.91 2.01 0.00 1.86 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.61 7.81 7 G 8.15 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 8 D 8.46 4.53 0.00 2.93 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 9 I 7.79 3.76 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 1.50 0.90 1.02 0.00 0.00 10 A 8.04 3.62 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 0.00 0.00 0.00 0.00 0.00 11 Q 8.19 3.96 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 12 Q 8.01 4.01 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 13 A 8.20 3.95 0.96 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 0.00 0.00 14 A 8.23 3.85 1.48 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 0.00 0.00 15 I 7.72 3.71 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.41 0.93 0.00 0.00 16 M 7.84 4.02 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 17 R 7.93 3.51 0.00 1.56 1.01 0.00 2.77 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 18 A 7.29 3.27 0.49 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 19 L 7.47 3.82 0.00 1.77 1.61 0.88 0.75 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 20 K 7.75 4.03 0.00 1.69 1.62 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 21 M 6.70 3.96 0.00 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 22 G 7.40 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 0.00 0.00 0.00 23 W 7.47 4.91 0.00 3.16 2.91 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 24 G 8.95 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 0.00 0.00 0.00 25 V 8.33 5.08 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 0.99 0.00 0.00 0.96 0.00 0.00 26 L 9.13 4.85 0.00 1.71 1.58 0.94 0.81 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 27 K 8.74 4.96 0.00 1.66 1.75 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 28 P 0.00 4.69 0.00 2.12 2.07 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 29 L 7.43 2.94 0.00 1.77 1.56 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.82 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 31 D 8.43 4.70 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.44 4.53 0.00 1.83 1.95 0.00 3.00 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 33 L 7.40 4.38 0.00 1.24 0.77 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.29 4.77 0.00 4.33 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 35 Y 6.80 4.85 0.00 3.15 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 36 D 8.68 4.70 0.00 2.57 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 37 L 7.71 5.10 0.00 1.45 1.28 0.98 0.94 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 38 V 8.43 4.58 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 1.01 0.00 0.00 0.68 0.00 0.00 39 F 8.77 5.40 0.00 2.75 2.59 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 40 D 9.10 4.91 0.00 2.77 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 41 V 8.89 3.98 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 0.58 0.00 0.00 -0.40 0.00 0.00 42 E 9.98 3.92 0.00 2.09 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 2.30 2.28 0.00 43 G 8.61 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 44 I 7.64 4.28 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.87 0.00 0.00 45 L 8.38 4.95 0.00 1.47 1.54 0.91 0.92 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 46 L 8.87 4.93 0.00 1.52 1.57 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.89 4.47 0.00 1.54 1.19 0.00 1.42 0.00 0.00 1.24 0.00 0.00 2.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.40 1.13 7.81 48 V 8.57 4.75 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.20 0.00 0.00 49 Q 8.43 4.34 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 1.17 1.68 0.00 50 V 8.36 4.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 51 K 8.91 4.74 0.00 1.78 1.75 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.40 7.81 52 S 8.94 5.19 0.00 4.04 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 53 S 8.81 4.79 0.00 3.89 3.74 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 54 W 7.81 5.23 0.00 3.37 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.00 3.92 0.00 1.92 1.84 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.15 1.01 7.81 56 S 9.26 4.45 0.00 3.76 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 57 E 8.81 3.94 0.00 1.98 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 2.29 2.26 0.00 58 K 8.19 4.06 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 59 T 7.89 4.11 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 1.30 0.00 0.00 60 G 8.48 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.65 4.90 0.00 2.55 2.77 0.00 0.00 6.91 7.48 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 62 Y 8.27 4.94 0.00 2.80 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 63 V 7.75 4.55 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.03 0.00 0.00 64 V 7.82 4.05 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 0.65 0.00 0.00 0.80 0.00 0.00 65 D 8.96 5.09 0.00 3.01 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 66 N 8.41 5.01 0.00 1.44 2.11 0.00 0.00 6.76 8.46 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 67 R 7.86 4.72 0.00 1.80 1.95 0.00 3.06 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 68 R 8.18 4.09 0.00 1.78 1.89 0.00 2.21 0.00 0.00 2.93 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 69 T 8.37 4.40 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 1.28 0.00 0.00 70 R 8.54 4.63 0.00 1.83 2.01 0.00 2.72 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 71 T 8.00 4.78 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 1.20 0.00 0.00 72 N 9.16 4.12 0.00 2.87 2.90 0.00 0.00 6.55 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 73 R 7.53 4.45 0.00 1.82 1.92 0.00 3.49 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 74 R 8.38 3.92 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 75 N 7.83 4.75 0.00 2.69 2.66 0.00 0.00 6.87 7.93 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 76 I 8.45 3.86 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 77 V 7.96 4.40 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 0.86 0.00 0.00 0.92 0.00 0.00 78 R 8.72 4.73 0.00 1.66 1.88 0.00 3.19 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 79 S 8.18 4.70 0.00 3.86 3.95 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 80 P 0.00 4.66 0.00 2.14 2.17 0.00 3.72 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 1.99 2.00 0.00 81 Y 8.57 4.77 0.00 3.13 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 82 R 9.60 4.40 0.00 2.00 1.88 0.00 3.29 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 83 G 8.54 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 84 N 7.83 4.80 0.00 2.78 2.86 0.00 0.00 6.08 8.06 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 85 D 7.73 4.63 0.00 2.90 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 86 F 7.00 4.81 0.00 3.16 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 87 D 9.13 4.58 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.12 5.33 0.00 2.95 2.83 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 89 A 9.43 4.52 0.15 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 90 V 8.57 4.77 2.13 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 0.43 0.00 0.00 0.92 0.00 0.00 91 A 8.83 4.95 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 92 Y 8.96 4.80 0.00 2.79 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 93 V 8.09 3.98 1.60 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 -0.31 0.00 0.00 0.64 0.00 0.00 94 E 7.48 3.64 0.00 1.86 1.72 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 2.28 2.42 0.00 95 E 8.90 4.30 0.00 2.10 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 0.00 2.10 2.31 0.00 96 L 7.24 4.49 0.00 1.37 1.53 0.86 0.97 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 97 E 7.71 3.74 0.00 2.04 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 2.33 2.28 0.00 98 L 7.67 4.72 0.00 1.61 1.32 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.08 5.56 0.00 3.68 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 0.00 100 Y 9.32 4.69 0.00 2.89 2.36 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 0.00 101 V 7.65 4.39 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 -0.67 0.00 0.00 0.68 0.00 0.00 102 F 9.05 4.94 0.00 3.18 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 P 0.00 4.42 0.00 2.20 1.82 0.00 3.75 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 104 V 7.88 3.46 1.77 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 -0.23 0.00 0.00 0.73 0.00 0.00 105 D 7.96 4.41 0.00 2.75 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 0.00 106 V 7.65 3.95 2.17 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 1.02 0.00 0.00 0.85 0.00 0.00 107 F 8.31 4.13 0.00 3.26 3.25 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 0.00 108 I 8.25 4.10 1.93 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 1.57 0.87 1.07 0.00 0.00 109 S 7.72 4.21 0.00 4.09 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 0.00 110 Y 7.02 3.96 0.00 2.89 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 0.00 111 G 8.61 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 0.00 112 S 8.72 3.64 0.00 4.32 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 0.00 113 E 9.26 4.58 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 114 I 8.46 4.24 0.56 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 0.49 0.19 -0.16 0.00 0.00 115 H 8.83 5.06 0.00 2.97 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.59 4.45 0.00 1.54 1.31 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.85 3.84 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 1.39 0.00 0.00 0.99 0.00 0.00 118 E 8.43 4.13 0.00 2.31 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 2.47 0.00 119 T 7.42 4.72 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 1.23 0.00 0.00 120 D 8.62 4.52 0.00 2.73 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 0.00 121 K 8.51 3.79 0.00 1.88 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.01 7.81 122 R 7.66 4.81 0.00 1.72 1.79 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 123 Q 8.94 4.10 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 124 R 7.65 4.69 0.00 1.72 1.79 0.00 3.23 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 125 K 8.08 4.55 0.00 1.63 1.40 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.09 1.22 7.81 126 P 0.00 4.55 0.00 2.41 2.32 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 127 R 8.73 4.25 0.00 1.86 2.14 0.00 3.58 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 128 S 8.28 5.13 0.00 4.47 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 0.00 129 F 9.35 4.54 0.00 3.13 3.38 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 0.00 130 G 8.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.86 4.44 0.00 3.14 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 0.00 132 R 7.80 2.79 0.00 1.49 1.53 0.00 3.68 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.75 0.00 133 E 8.26 3.56 0.00 1.92 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 2.42 2.82 0.00 134 A 7.16 4.25 1.11 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 0.00 135 W 7.93 4.35 0.00 3.44 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 0.00 136 H 8.29 4.42 0.00 3.46 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.81 4.05 0.00 1.76 1.96 1.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.10 3.60 0.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.10 0.02 0.00 0.00 139 L 7.72 4.17 0.00 1.99 1.84 1.06 1.08 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 0.00 140 Q 8.40 4.23 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 141 K 7.69 4.36 0.00 1.86 2.05 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.43 7.81 142 G 9.18 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.61 3.99 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 0.00 144 A 8.46 4.13 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 0.00 145 Q 8.27 4.00 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 146 K 7.63 3.91 0.00 1.86 1.60 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.29 7.81 147 E 8.83 4.19 0.00 2.12 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 2.21 2.23 0.00