NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5046 8.2893 120.3299 55.6951 33.2235 174.5457 2 H 4.4457 8.7094 122.9297 55.2005 30.2700 169.8272 3 H 3.9713 9.2264 115.2115 53.2990 28.1827 179.7296 4 H 4.2197 7.8112 120.8161 55.5042 28.0285 174.1984 5 H 4.6542 8.6529 116.1865 56.2213 29.3448 173.8915 6 H 5.0206 8.3297 117.0030 55.2263 32.7866 172.0187 7 H 4.9583 8.8594 117.1493 57.6953 35.9883 174.4403 8 G 3.9867 7.9498 107.8700 44.2463 0.0000 171.3095 9 S 4.7236 7.3221 113.6752 56.1292 66.1307 174.1047 10 T 4.0597 8.2066 110.7194 61.8081 68.7868 172.8593 11 K 4.6222 8.1419 121.4358 54.3876 35.3597 175.5578 12 T 4.4637 8.1995 120.8159 62.3516 70.6915 175.8864 13 N 4.2971 8.8550 122.9088 56.8303 38.7139 177.6329 14 S 4.1296 8.0017 115.8237 61.8033 63.1317 176.4467 15 E 4.0538 8.0105 120.7330 59.3768 29.3111 179.2200 16 I 3.9262 8.3798 120.4623 63.6929 36.6554 178.3661 17 L 4.0968 8.1715 121.6944 58.5651 40.0920 178.9509 18 E 3.9637 7.8097 119.2301 59.1582 30.0670 178.4749 19 Q 4.1981 8.0344 116.8061 58.2873 28.8770 177.3942 20 L 4.6187 8.1783 124.4032 57.9847 42.0235 179.2960 21 K 4.7213 7.8605 118.1705 58.4532 31.9108 179.1939 22 Q 4.1990 7.8272 116.9724 57.9639 28.4418 177.1877 23 A 4.6845 7.9094 121.3396 53.0017 21.6969 178.3863 24 S 4.5668 8.5969 110.9704 61.6155 63.2979 175.7639 25 D 4.5916 8.7850 119.1290 55.5802 40.9289 176.7788 26 G 3.7260 7.6916 105.2058 46.8710 0.0000 173.7314 27 L 4.3063 7.8412 119.8924 52.3421 42.3366 176.1549 28 L 3.7629 7.9630 125.3142 54.5591 42.9913 176.5863 29 F 4.1890 8.7139 125.5636 56.3851 39.6806 173.0543 30 M 4.6556 7.8429 125.2886 53.1234 32.0973 176.4353 31 S 4.0911 8.9441 126.6799 61.1120 61.6102 175.2719 32 E 4.3920 9.4950 130.4509 58.2059 31.4825 177.0992 33 S 4.6775 7.5160 114.4882 57.3665 62.7954 175.3125 34 E 4.5796 8.7135 121.4904 55.7956 30.9031 173.8302 35 Y 4.9002 8.8178 124.4265 55.6491 42.7090 173.1246 36 P 4.8644 0.0000 0.0000 61.5391 33.0704 175.9073 37 F 4.8891 8.4779 119.8760 58.6069 39.6558 175.4203 38 E 4.6778 8.5920 123.7945 55.5851 31.7080 174.5834 39 V 4.8442 8.5055 127.3227 61.9221 32.8911 175.7786 40 F 5.1403 10.1376 118.2053 55.7078 41.3603 173.2672 41 L 4.5429 8.7555 123.9246 55.3116 41.8957 176.3840 42 W 4.4002 8.9138 122.9962 54.8754 29.8679 176.7826 43 E 4.1934 8.3289 123.9675 58.7339 29.2164 178.4121 44 G 3.7654 8.0431 105.0646 46.0760 0.0000 172.8581 45 S 4.5753 9.2650 116.9064 56.3394 65.1268 172.5368 46 A 4.7439 8.3205 123.0612 49.6980 19.1629 174.1738 47 P 4.1741 0.0000 0.0000 62.5071 30.4976 175.1844 48 P 4.3854 0.0000 0.0000 63.8650 32.1049 176.5085 49 V 4.4175 7.3286 118.1732 58.9502 33.9482 175.1218 50 T 4.5456 7.9228 119.1802 62.4818 72.4177 173.2519 51 H 4.8415 8.5106 123.4987 53.5638 27.1546 175.2623 52 E 6.3000 8.5698 134.7587 56.7275 28.1423 179.6787 53 I 3.4978 6.8972 120.6691 65.0779 37.2817 177.3424 54 V 3.2982 7.2049 117.7979 66.2459 30.9556 178.2257 55 L 4.1179 7.2491 117.9341 57.5643 41.4276 178.8115 56 Q 4.1999 8.2664 116.7593 57.8420 28.6207 177.6277 57 Q 4.4198 7.6947 118.6101 57.8095 29.6262 176.5011 58 T 4.5200 8.0881 108.9952 62.6588 69.8394 174.5971 59 G 4.4167 9.5605 109.3387 44.0447 0.0000 173.8505 60 H 5.4666 9.3493 133.2565 55.1135 28.8923 174.1071 61 G 4.2379 7.7441 110.2794 46.5046 0.0000 173.5741 62 Q 4.5123 7.7989 120.3503 52.6873 27.8699 174.6177 63 D 4.3579 7.1003 124.4758 54.7991 44.6944 175.1593 64 A 4.3733 6.3581 122.0779 49.5854 21.0151 175.4730 65 P 4.6938 0.0000 0.0000 63.3985 30.7894 176.7365 66 F 5.1005 7.9878 118.5475 56.6777 41.4599 175.3037 67 K 4.4426 8.8223 119.7712 55.6411 35.8669 174.8923 68 V 4.0964 8.5954 128.1770 62.6798 31.6672 174.7374 69 V 4.4707 8.4135 122.3098 59.4242 35.5994 174.2418 70 D 4.6938 8.0632 118.9966 52.4569 44.4671 177.0002 71 I 3.0698 8.5780 122.2149 64.6465 38.1526 177.7704 72 D 4.3002 8.0681 119.0693 57.2325 41.4834 177.7232 73 S 4.1817 7.7452 113.3504 61.2643 62.3634 175.5847 74 F 4.8289 8.6342 122.6212 61.5563 39.5480 177.4653 75 F 4.3722 8.1962 115.7522 60.1175 38.6630 177.1197 76 S 4.2837 8.3589 113.3085 60.6332 62.1826 175.8727 77 R 4.1765 7.6161 115.7185 57.3473 30.5253 177.2827 78 A 4.4303 7.1495 124.0552 48.9348 17.1948 176.6549 79 T 4.9600 7.2406 116.8581 61.3096 70.3402 173.9451 80 T 3.7601 7.9329 112.8315 61.7228 68.3914 171.6198 81 P 2.9700 0.0000 0.0000 61.1380 32.5120 176.8527 82 Q 3.4223 7.4560 117.7307 56.3908 28.2932 174.9833 83 D 4.8011 7.5283 120.1675 53.5016 41.5091 175.1536 84 W 4.7888 6.3864 111.9139 57.0134 28.3984 177.6056 85 Y 3.8580 6.4764 110.2816 59.8481 38.7165 175.6274 86 E 4.8679 8.2239 118.3311 54.9727 34.5453 176.1701 87 D 4.5685 8.9099 121.3342 57.5019 41.4160 178.7446 88 E 4.2351 8.2700 117.0309 59.2928 29.9891 178.5471 89 E 4.0022 8.1991 119.2790 58.3650 29.5699 178.6073 90 N 4.3438 8.7748 117.3167 56.6499 38.4760 176.9671 91 A 4.2223 7.8556 120.2914 54.5375 19.1358 179.3882 92 V 3.7398 8.4467 117.9655 65.9759 31.4186 178.5117 93 V 3.7381 8.9994 119.7307 65.0922 31.3071 178.1778 94 A 4.2825 7.6945 120.6305 54.4700 17.8217 179.8835 95 K 3.9313 8.0398 117.2024 59.6831 32.2702 178.8689 96 F 4.7105 7.8809 119.5824 61.8736 38.6418 177.2634 97 Q 3.8156 8.1415 116.6362 59.0301 28.6071 178.4074 98 K 4.1713 7.8722 121.6212 59.0082 32.3056 178.5347 99 L 4.3006 9.2619 121.6572 57.8680 41.6264 178.7422 100 L 4.0740 8.0329 120.8145 57.9300 41.7435 178.5200 101 E 4.0884 7.9222 116.2554 58.9775 30.0268 178.9740 102 V 3.6965 8.1397 118.9659 63.3462 31.9608 177.0189 103 I 4.1676 7.5965 119.5334 62.4997 38.1962 177.0095 104 K 4.2438 8.4972 120.3331 59.2510 32.8000 179.4419 105 S 3.9714 8.0534 114.2813 61.7297 62.8726 177.5891 106 N 4.6011 8.4614 114.4420 53.8703 37.9977 174.5952 107 L 4.3796 7.9163 117.8290 53.3881 42.4155 175.6736 108 K 3.7095 9.0583 120.2406 57.8050 32.9192 174.9701 109 N 4.3549 8.5075 123.8860 50.4641 38.4143 173.1130 110 P 4.4950 0.0000 0.0000 63.0980 33.0892 174.8787 111 Q 4.4990 7.9303 119.7431 53.8493 31.2878 175.2315 112 V 3.6250 7.6595 124.3584 62.8964 32.5780 174.4064 113 Y 4.7824 8.6956 127.6275 56.4760 39.9039 175.1309 114 R 4.8218 8.3939 124.3075 54.1288 32.8590 175.5377 115 L 3.5372 9.3784 124.1368 55.4368 42.7828 176.6705 116 G 4.3670 8.0069 111.3485 44.1438 0.0000 169.8715 117 E 4.7171 7.8959 119.4428 55.2455 32.2852 176.6933 118 V 3.5656 8.7144 125.6785 63.2060 32.4467 171.4586 119 E 4.9735 7.8150 112.0474 55.5472 31.8617 175.2652 120 L 4.8653 7.8226 124.8316 53.2185 43.8155 174.9533 121 D 4.8971 8.0480 120.1173 52.8430 42.9202 175.5935 122 V 4.2472 8.6444 124.4351 62.3280 33.4993 174.5303 123 Y 5.4211 9.2537 124.7294 56.6912 41.3278 174.7170 124 V 4.9947 8.7897 126.5559 60.4515 32.5511 174.3738 125 I 4.8891 8.0142 121.2508 59.0163 40.8355 174.5667 126 G 4.9413 8.9914 112.8399 43.1709 0.0000 172.0733 127 E 5.3645 8.4026 118.2419 56.0020 31.9212 174.7887 128 T 4.6110 8.2400 113.1045 60.6642 70.4400 171.9646 129 P 4.0765 0.0000 0.0000 65.4126 31.4061 177.8469 130 A 4.0308 7.9179 120.0039 53.0963 18.8495 177.3288 131 G 3.8342 10.2205 103.5124 45.4035 0.0000 172.5882 132 N 5.0565 7.5134 113.1418 52.3596 44.0151 175.3362 133 L 4.7967 8.6262 121.3322 53.7902 42.5587 174.8010 134 A 5.1137 8.8265 126.8152 50.0772 21.6666 175.7523 135 G 4.8326 8.5321 107.7165 46.3463 0.0000 171.9932 136 I 4.9616 7.8268 113.9956 60.0604 38.8295 175.8414 137 S 5.0053 9.1944 122.1933 57.9470 65.8155 172.5257 138 T 4.6436 9.0188 114.0211 61.4890 71.0891 172.1340 139 K 4.7555 8.4767 123.6596 55.0917 34.7430 176.2464 140 V 4.5380 8.1982 113.5395 60.4252 36.6605 174.1207 141 V 4.4349 8.5051 124.5369 61.5065 31.3665 174.1429 142 E 4.8876 8.2999 125.0386 54.9139 34.7661 175.3609 143 T 4.2719 8.3566 110.1305 62.0112 69.2155 174.7179 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 4.50 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 2 H 8.71 4.45 0.00 3.25 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 9.23 3.97 0.00 3.19 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.81 4.22 0.00 3.32 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.65 4.65 0.00 3.10 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.33 5.02 0.00 3.07 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.86 4.96 0.00 3.04 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.32 4.72 0.00 3.96 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 10 T 8.21 4.06 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 1.21 0.00 0.00 11 K 8.14 4.62 0.00 1.68 1.67 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 12 T 8.20 4.46 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 1.21 0.00 0.00 13 N 8.85 4.30 0.00 2.73 2.93 0.00 0.00 7.16 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 14 S 8.00 4.13 0.00 3.87 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 15 E 8.01 4.05 0.00 2.12 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 2.41 2.40 0.00 16 I 8.38 3.93 1.94 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 1.56 0.92 0.95 0.00 0.00 17 L 8.17 4.10 0.00 1.96 2.29 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.81 3.96 0.00 2.05 2.19 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 2.35 2.35 0.00 19 Q 8.03 4.20 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 20 L 8.18 4.62 0.00 1.92 1.80 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.86 4.72 0.00 1.92 1.92 0.00 1.95 0.00 0.00 2.07 0.00 0.00 3.46 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.65 7.81 22 Q 7.83 4.20 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 23 A 7.91 4.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.60 4.57 0.00 4.23 4.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.59 0.00 2.80 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 26 G 7.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.84 4.31 0.00 1.63 1.39 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.96 3.76 0.00 1.44 1.41 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.71 4.19 0.00 2.69 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 30 M 7.84 4.66 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 31 S 8.94 4.09 0.00 4.12 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 32 E 9.49 4.39 0.00 2.13 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 2.41 2.47 0.00 33 S 7.52 4.68 0.00 3.99 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 34 E 8.71 4.58 0.00 1.93 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 2.07 2.25 0.00 35 Y 8.82 4.90 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.86 0.00 2.10 2.03 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 37 F 8.48 4.89 0.00 3.12 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 38 E 8.59 4.68 0.00 2.14 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 2.20 2.32 0.00 39 V 8.51 4.84 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 1.04 0.00 0.00 1.11 0.00 0.00 40 F 10.14 5.14 0.00 2.98 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 41 L 8.76 4.54 0.00 1.69 1.75 0.94 1.04 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 42 W 8.91 4.40 0.00 3.17 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 43 E 8.33 4.19 0.00 2.05 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 2.17 2.22 0.00 44 G 8.04 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 0.00 0.00 0.00 45 S 9.27 4.58 0.00 4.27 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 46 A 8.32 4.74 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.17 0.00 2.03 2.06 0.00 3.66 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 2.02 2.23 0.00 48 P 0.00 4.39 0.00 2.20 2.07 0.00 3.40 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 49 V 7.33 4.42 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 0.71 0.00 0.00 0.84 0.00 0.00 50 T 7.92 4.55 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 1.25 0.00 0.00 51 H 8.51 4.84 0.00 3.15 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.57 6.30 0.00 2.45 2.31 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 2.12 2.01 0.00 53 I 6.90 3.50 1.76 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 1.47 0.75 0.83 0.00 0.00 54 V 7.20 3.30 0.67 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 -0.23 0.00 0.00 -0.40 0.00 0.00 55 L 7.25 4.12 0.00 1.96 1.97 1.22 1.09 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 56 Q 8.27 4.20 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 57 Q 7.69 4.42 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 58 T 8.09 4.52 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 1.43 0.00 0.00 59 G 9.56 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 60 H 9.35 5.47 0.00 3.19 3.36 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.74 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 0.00 0.00 0.00 0.00 62 Q 7.80 4.51 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.99 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 63 D 7.10 4.36 0.00 2.61 2.54 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 64 A 6.36 4.37 -0.50 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 65 P 0.00 4.69 0.00 2.42 2.13 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 66 F 7.99 5.10 0.00 2.94 3.14 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 67 K 8.82 4.44 0.00 1.78 1.52 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.37 7.81 68 V 8.60 4.10 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 1.03 0.00 0.00 1.05 0.00 0.00 69 V 8.41 4.47 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 0.75 0.00 0.00 0.79 0.00 0.00 70 D 8.06 4.69 0.00 2.50 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 71 I 8.58 3.07 1.65 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 1.06 0.99 0.83 0.00 0.00 72 D 8.07 4.30 0.00 2.65 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 73 S 7.75 4.18 0.00 3.92 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 74 F 8.63 4.83 0.00 2.84 3.01 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 0.00 0.00 0.00 75 F 8.20 4.37 0.00 2.89 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 76 S 8.36 4.28 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.62 4.18 0.00 2.13 2.45 0.00 3.56 0.00 0.00 3.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 78 A 7.15 4.43 1.34 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 0.00 0.00 79 T 7.24 4.96 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 1.51 0.00 0.00 80 T 7.93 3.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 81 P 0.00 2.97 0.00 1.74 1.48 0.00 3.44 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 82 Q 7.46 3.42 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 83 D 7.53 4.80 0.00 2.14 2.61 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 84 W 6.39 4.79 0.00 3.47 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 85 Y 6.48 3.86 0.00 2.85 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 86 E 8.22 4.87 0.00 2.09 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 2.33 0.00 87 D 8.91 4.57 0.00 2.69 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 88 E 8.27 4.24 0.00 2.20 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 2.40 0.00 89 E 8.20 4.00 0.00 2.22 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 0.00 2.40 2.37 0.00 90 N 8.77 4.34 0.00 3.00 2.91 0.00 0.00 7.08 7.64 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 91 A 7.86 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 3.74 2.25 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 1.16 0.00 0.00 0.99 0.00 0.00 93 V 9.00 3.74 2.43 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 0.86 0.00 0.00 1.13 0.00 0.00 94 A 7.69 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.04 3.93 0.00 1.94 1.93 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.63 7.81 96 F 7.88 4.71 0.00 3.11 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 97 Q 8.14 3.82 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 98 K 7.87 4.17 0.00 1.88 2.11 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.33 7.81 99 L 9.26 4.30 0.00 1.67 1.94 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.03 4.07 0.00 1.99 1.88 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.92 4.09 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.59 0.00 102 V 8.14 3.70 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 0.71 0.00 0.00 0.94 0.00 0.00 103 I 7.60 4.17 2.03 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 1.45 0.64 0.96 0.00 0.00 104 K 8.50 4.24 0.00 2.07 2.00 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.27 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.61 1.81 7.81 105 S 8.05 3.97 0.00 3.95 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 0.00 106 N 8.46 4.60 0.00 2.84 2.97 0.00 0.00 7.12 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 0.00 107 L 7.92 4.38 0.00 1.89 1.67 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.06 3.71 0.00 1.82 2.00 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.77 1.47 7.81 109 N 8.51 4.35 0.00 2.60 2.68 0.00 0.00 7.28 8.00 0.00 0.00 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 P 0.00 4.50 0.00 1.94 2.10 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 111 Q 7.93 4.50 0.00 1.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 112 V 7.66 3.62 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 0.96 0.00 0.00 0.15 0.00 0.00 113 Y 8.70 4.78 0.00 2.95 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 0.00 114 R 8.39 4.82 0.00 1.63 1.71 0.00 2.78 0.00 0.00 2.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 115 L 9.38 3.54 0.00 0.27 0.13 0.48 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.01 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 0.00 117 E 7.90 4.72 0.00 2.03 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 0.00 2.18 2.28 0.00 118 V 8.71 3.57 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 0.91 0.00 0.00 0.96 0.00 0.00 119 E 7.82 4.97 0.00 2.04 1.94 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 2.09 2.09 0.00 120 L 7.82 4.87 0.00 1.71 1.89 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.05 4.90 0.00 2.07 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.64 4.25 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 1.00 0.00 0.00 1.08 0.00 0.00 123 Y 9.25 5.42 0.00 3.02 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 0.00 124 V 8.79 4.99 1.86 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 0.48 0.00 0.00 0.10 0.00 0.00 125 I 8.01 4.89 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.28 0.79 0.00 0.00 126 G 8.99 4.94 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 0.00 127 E 8.40 5.36 0.00 2.00 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 0.00 2.33 2.07 0.00 128 T 8.24 4.61 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 1.27 0.00 0.00 129 P 0.00 4.08 0.00 2.09 2.14 0.00 4.06 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 130 A 7.92 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 10.22 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 0.00 132 N 7.51 5.06 0.00 2.65 2.74 0.00 0.00 7.71 6.89 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 0.00 133 L 8.63 4.80 0.00 1.52 1.34 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.83 5.11 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 0.00 135 G 8.53 4.83 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 0.00 136 I 7.83 4.96 1.78 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 1.02 0.00 0.00 137 S 9.19 5.01 0.00 4.27 4.50 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 0.00 138 T 9.02 4.64 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 1.36 0.00 0.00 139 K 8.48 4.76 0.00 0.79 0.79 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.43 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 0.49 7.81 140 V 8.20 4.54 2.29 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 1.09 0.00 0.00 1.06 0.00 0.00 141 V 8.51 4.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.01 0.00 0.00 142 E 8.30 4.89 0.00 1.93 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 0.00 2.37 2.36 0.00 143 T 8.36 4.27 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 1.31 0.00 0.00