NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3712 8.2893 120.3481 55.3011 33.3916 174.4268 1 V 3.9959 8.1880 125.6372 59.8627 32.7049 174.4413 2 L 4.2090 8.1901 125.0513 54.0475 43.3636 178.6305 3 S 4.5421 8.7879 117.5756 57.6184 65.3705 175.1592 4 E 4.2706 8.8038 122.5805 59.4456 29.4137 178.9962 5 G 3.6443 8.1196 105.2979 47.8687 0.0000 175.3031 6 E 3.8756 8.1894 121.0151 58.9542 29.3858 179.4737 7 W 4.3686 8.1394 118.9580 60.0229 29.0618 178.6287 8 Q 4.1784 8.6575 118.2909 58.9060 27.7842 178.7926 9 L 4.0187 7.9787 120.1144 57.5842 41.6087 179.6541 10 V 3.7822 7.9248 118.2086 66.2866 31.5986 178.2526 11 L 4.2904 8.5602 118.8446 57.9509 39.8369 179.2226 12 H 4.2816 8.7630 116.9496 58.4994 28.7088 177.8948 13 V 4.0238 7.8546 120.6043 63.9640 31.5612 178.2843 14 W 3.8190 8.5038 129.0473 60.0513 30.2684 177.7239 15 A 4.0408 7.9889 120.3001 54.9006 18.0345 179.4117 16 K 3.9654 7.3042 115.8838 59.2346 32.1351 179.4425 17 V 2.6844 7.0760 118.3753 65.8743 31.0106 177.5868 18 E 4.0188 7.5502 115.1698 57.8219 29.2923 178.5075 19 A 4.2081 7.6125 121.2250 54.3415 19.4430 177.6793 20 D 4.6885 7.8293 115.4367 52.2785 43.2741 175.7938 21 V 3.6125 7.8800 123.9252 64.1727 31.7512 178.1668 22 A 4.0552 8.0344 121.0518 55.0297 18.2923 179.7084 23 G 3.6806 8.3468 105.4568 45.4963 0.0000 175.6596 24 H 4.1356 8.2034 118.4545 58.4707 28.6154 178.1299 25 G 3.5344 8.3315 107.7977 47.7723 0.0000 175.7454 26 Q 4.0119 8.0569 120.4261 58.9151 28.7410 178.6662 27 D 4.3686 7.9467 119.7629 57.4010 40.7373 179.0274 28 I 3.6057 7.8412 120.3410 64.5399 37.0030 178.1474 29 Y 3.6806 7.9155 117.6583 60.8976 37.6234 178.6091 30 I 3.7141 7.9396 120.9576 64.3366 37.1281 178.4475 31 R 3.8026 8.0352 119.5214 59.1970 29.8289 178.2103 32 L 3.8867 7.9143 120.2884 58.4301 41.9017 179.1287 33 F 4.5531 8.1133 117.7983 60.1280 38.5254 177.8235 34 K 3.9855 8.0071 118.9485 59.6249 32.1552 178.8734 35 S 4.2458 8.0454 114.3965 60.4337 64.2738 174.5118 36 H 4.6454 8.1805 118.7379 51.8707 29.2307 171.8209 37 P 4.5645 0.0000 0.0000 64.6514 31.3392 177.5166 38 E 4.2763 8.2785 116.1761 59.6070 29.4615 179.1962 39 T 3.7831 8.0025 110.8631 64.5287 68.7573 176.2522 40 L 3.7363 8.0471 122.8581 57.8415 41.7406 178.7051 41 E 4.1379 7.9045 117.7629 58.8416 29.4210 178.8111 42 K 4.4412 8.0893 117.0008 57.0789 32.6145 176.8907 43 F 4.5939 8.2138 119.0939 55.7210 38.5240 176.0326 44 D 4.4140 8.7328 126.7715 57.4079 40.7889 178.8199 45 R 3.8995 7.7439 116.0233 57.7147 30.4776 176.9180 46 F 4.9175 7.6069 114.2500 56.6877 40.4874 176.7621 47 K 4.0798 8.1517 120.4322 59.0541 32.4484 177.8223 48 H 4.4127 8.1171 114.3753 57.2388 29.1019 175.7630 49 L 4.0351 7.4216 121.1485 55.1515 41.6948 176.9898 50 K 4.3149 9.2751 123.2904 57.3980 33.4483 176.8739 51 T 4.7451 7.2911 107.6198 58.8351 73.2746 174.2339 52 E 3.9292 8.6490 120.7774 59.2083 29.5965 178.4217 53 A 3.9810 7.9693 120.4238 55.3449 18.2702 179.3313 54 E 3.9409 7.9476 115.8325 59.6835 29.6542 179.2061 55 M 4.1433 8.0810 118.8110 58.3297 31.8346 178.7629 56 K 3.9382 8.2276 118.6932 59.1196 32.4695 177.9902 57 A 4.4402 7.7673 118.7534 51.9517 18.9949 177.1175 58 S 4.2871 7.4666 113.6289 57.3480 62.5313 174.3350 59 E 4.0029 8.8828 129.6163 59.4650 29.4829 178.2411 60 D 4.4945 8.1789 118.6347 57.2673 40.9049 178.3191 61 L 3.0289 8.1511 121.0132 57.4132 41.9412 178.8153 62 K 3.8749 8.0025 119.6815 59.5967 32.1479 178.8767 63 K 4.0197 8.2454 118.7224 59.5687 31.9077 179.1499 64 Q 4.2446 8.4566 120.0352 59.0586 28.9574 178.3973 65 G 3.7358 8.5889 107.2562 47.8978 0.0000 175.8022 66 V 3.6445 7.9233 120.6868 65.7028 31.4935 178.3168 67 R 3.9716 8.1157 117.8775 59.2172 29.8683 179.1208 68 V 3.6480 8.0518 117.9460 66.2842 31.5595 178.1979 69 L 4.2284 8.1596 118.5944 57.9706 41.4312 179.7139 70 T 4.0498 8.3306 115.9169 66.4083 68.4126 176.7191 71 A 4.0034 8.2452 122.8595 55.1134 18.4034 179.4901 72 L 3.7137 8.2979 119.3245 58.0151 42.0531 179.3193 73 G 3.2464 8.5479 105.9530 47.6392 0.0000 175.5116 74 A 3.9541 7.8523 122.1471 54.7862 18.7484 179.5266 75 I 3.7531 7.5549 118.2450 64.5836 37.1407 178.6397 76 L 3.9569 7.9114 120.1301 57.7329 41.1818 179.7189 77 K 3.8977 7.8440 117.0483 58.5625 32.2717 178.8133 78 K 3.9246 7.7624 117.9519 56.1049 32.8073 176.4647 79 K 2.0000 8.1894 118.7016 56.2675 29.6922 175.4068 80 G 3.9005 7.5801 105.6008 45.6970 0.0000 173.1231 81 H 4.6550 7.3248 118.8564 55.6368 27.9085 175.5164 82 H 5.6056 7.1619 112.0893 54.8716 29.6926 176.0837 83 E 3.9873 8.3487 122.4981 60.4624 29.3214 178.4696 84 A 4.1587 7.9511 120.0558 55.2969 17.3917 179.4220 85 E 4.0626 8.1431 116.6159 59.4172 29.6078 179.2640 86 L 4.2794 8.1990 118.7943 56.9920 41.6567 179.3088 87 K 3.9441 7.7054 118.0313 59.1164 32.0642 177.4086 88 P 4.3178 0.0000 0.0000 65.6937 31.2782 178.1704 89 L 4.0040 7.5702 120.1725 57.9366 42.0060 178.7957 90 A 4.1966 8.4938 121.2005 55.1945 18.3256 179.3710 91 Q 3.9266 8.2729 118.2935 59.3862 29.1062 178.7095 92 S 4.0567 8.2620 115.3147 61.9163 63.0256 176.1740 93 H 4.1859 8.7811 119.7666 57.9927 28.2023 177.6908 94 A 2.8945 8.1219 122.4217 54.5525 18.4770 179.1276 95 T 3.9159 7.4621 112.4205 65.3547 69.1800 176.4525 96 K 4.0130 7.4861 119.8351 59.2408 32.7301 177.4357 97 H 4.2677 7.9579 114.8351 56.5256 29.4054 175.4566 98 K 3.1685 7.5340 116.3943 56.9230 28.1752 175.9950 99 I 4.3372 7.9146 118.8448 58.7939 38.2828 174.9838 100 P 4.6147 0.0000 0.0000 62.1810 32.0399 177.8194 101 I 3.7318 8.7830 121.9503 64.6828 36.9016 179.0591 102 K 3.9614 7.8030 120.0640 59.0090 31.8269 178.7222 103 Y 4.2640 7.9600 117.0139 60.7626 37.8454 178.0396 104 L 4.2153 7.9392 119.7258 57.6325 41.2392 179.1420 105 E 4.0209 8.3334 118.9843 59.4002 29.3949 179.2898 106 F 4.5269 7.8938 117.8138 60.8393 38.9149 177.6531 107 I 3.8424 8.2148 118.1538 63.9339 37.7212 178.1012 108 S 4.1745 8.3177 116.3911 61.5395 62.6034 176.1571 109 E 4.0082 8.6087 121.9186 59.2860 29.3944 178.7817 110 A 3.9894 8.1712 120.8416 55.0479 18.3573 179.5839 111 I 3.6295 8.0549 118.5928 64.7166 37.1666 178.6688 112 I 3.7947 7.9619 120.5195 64.6490 36.9368 177.9643 113 H 4.0897 8.5223 119.2043 59.3537 29.6412 177.5541 114 V 3.5688 7.9297 120.0008 65.9387 31.3113 178.0032 115 L 3.7270 7.9128 118.9660 57.8193 41.0278 178.9397 116 H 4.4189 8.1434 117.8960 59.2600 29.8845 177.1678 117 S 4.2183 7.8216 115.1757 61.3822 63.2000 176.3150 118 R 4.0175 8.0443 120.9471 57.5841 31.3507 176.5959 119 H 5.0508 8.2313 114.7933 53.7315 29.2360 172.8441 120 P 4.3597 0.0000 0.0000 65.6077 31.7070 178.6295 121 G 3.7786 8.0767 106.6646 47.5713 0.0000 173.7479 122 N 5.1240 8.1427 114.8346 52.7302 40.4353 174.5051 123 F 4.8656 7.9008 118.9925 56.4387 39.6553 174.3983 124 G 3.9049 7.7932 108.2270 43.6937 0.0000 172.4289 125 A 3.8960 8.4187 120.7239 55.4822 18.3024 179.6319 126 D 4.1778 7.9756 116.4545 57.4309 40.9312 178.7821 127 A 3.9003 7.7357 120.7516 55.1157 18.3905 179.3033 128 Q 2.9352 7.8372 118.5358 58.7374 28.9200 178.6079 129 G 3.5254 8.1577 106.8549 47.6832 0.0000 175.5215 130 A 3.8128 7.9078 123.2233 54.9890 18.3120 179.4008 131 M 3.9789 8.1123 116.7808 58.7631 32.3670 177.8703 132 N 4.2919 8.5351 117.6490 56.5742 39.1262 176.6148 133 K 3.8249 8.2162 120.9267 59.4862 32.2153 178.5916 134 A 3.8600 7.9634 121.0057 55.1837 18.2033 179.6777 135 L 4.1065 8.3092 117.8031 57.8242 41.5867 179.5441 136 E 3.9731 8.7452 119.2283 59.1576 29.2824 179.1265 137 L 3.9466 8.1111 120.4141 58.0236 42.1342 178.5289 138 F 4.1392 8.4189 120.6676 61.7226 39.2121 177.4214 139 R 3.4128 8.2785 117.6495 58.6787 29.7725 178.9616 140 K 3.8072 8.2570 119.8405 59.7417 32.2536 178.6957 141 D 4.3246 8.2255 119.2936 57.2671 40.7222 178.8497 142 I 3.3808 7.6513 120.5005 64.0773 36.9563 178.2499 143 A 3.7521 7.9040 121.6598 55.0087 18.1542 179.5405 144 A 3.9136 7.8924 119.2658 55.1534 18.4248 179.8355 145 K 3.9242 8.0644 118.1795 59.6603 32.1845 178.3821 146 Y 4.4764 8.5260 117.5579 61.3744 37.9638 178.8327 147 K 3.9478 8.1767 120.1373 59.6810 32.0727 178.5834 148 E 4.0286 8.0168 117.7490 59.3077 29.4934 178.7398 149 L 4.3146 7.9371 116.8065 55.4419 41.9678 177.8442 150 G 3.9777 7.9793 107.2716 45.0639 0.0000 172.3635 151 Y 4.7851 7.8748 121.3904 55.2313 40.0636 175.6281 152 Q 3.8273 8.4874 125.8878 57.2605 29.2587 176.5080 153 G 3.4793 6.0218 111.5217 45.3101 0.0000 172.8988 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 4.37 0.00 1.96 2.01 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 2.45 2.50 0.00 1 V 8.19 4.00 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 0.77 0.00 0.00 0.99 0.00 0.00 2 L 8.19 4.21 0.00 1.03 0.55 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.79 4.54 0.00 4.04 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 4 E 8.80 4.27 0.00 2.20 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 2.43 2.52 0.00 5 G 8.12 3.64 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 0.00 0.00 0.00 6 E 8.19 3.88 0.00 1.91 1.69 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 2.19 2.25 0.00 7 W 8.14 4.37 0.00 3.58 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 8 Q 8.66 4.18 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 9 L 7.98 4.02 0.00 1.87 1.72 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.92 3.78 2.48 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.56 4.29 0.00 1.87 1.81 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.76 4.28 0.00 3.37 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 4.02 2.46 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 1.08 0.00 0.00 0.89 0.00 0.00 14 W 8.50 3.82 0.00 3.74 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.99 4.04 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 16 K 7.30 3.97 0.00 1.43 1.61 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 17 V 7.08 2.68 0.97 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 0.12 0.00 0.00 0.11 0.00 0.00 18 E 7.55 4.02 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 2.29 2.22 0.00 19 A 7.61 4.21 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 20 D 7.83 4.69 0.00 2.73 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 21 V 7.88 3.61 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 0.78 0.00 0.00 0.87 0.00 0.00 22 A 8.03 4.06 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 23 G 8.35 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.20 4.14 0.00 3.26 3.19 0.00 5.82 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 25 G 8.33 3.53 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 0.00 0.00 0.00 26 Q 8.06 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 27 D 7.95 4.37 0.00 2.77 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 28 I 7.84 3.61 1.67 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 1.44 0.67 0.69 0.00 0.00 29 Y 7.92 3.68 0.00 2.90 2.49 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 30 I 7.94 3.71 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.95 0.00 0.00 31 R 8.04 3.80 0.00 1.93 2.05 0.00 3.02 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 L 7.91 3.89 0.00 1.69 1.43 1.06 1.36 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 33 F 8.11 4.55 0.00 3.04 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 34 K 8.01 3.99 0.00 1.80 2.03 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 35 S 8.05 4.25 0.00 3.76 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 36 H 8.18 4.65 0.00 2.83 2.62 0.00 5.64 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 37 P 0.00 4.56 0.00 2.15 2.12 0.00 3.82 0.00 0.00 3.83 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 38 E 8.28 4.28 0.00 2.31 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 2.26 2.56 0.00 39 T 8.00 3.78 4.48 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 0.88 0.00 0.00 40 L 8.05 3.74 0.00 1.18 1.68 -0.16 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.90 4.14 0.00 2.17 2.08 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 2.38 2.40 0.00 42 K 8.09 4.44 0.00 1.92 1.74 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.98 7.81 43 F 8.21 4.59 0.00 3.35 3.24 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 44 D 8.73 4.41 0.00 2.63 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 45 R 7.74 3.90 0.00 0.87 1.22 0.00 2.95 0.00 0.00 3.13 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 46 F 7.61 4.92 0.00 2.87 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 47 K 8.15 4.08 0.00 1.89 2.23 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.40 7.81 48 H 8.12 4.41 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.42 4.04 0.00 1.50 1.56 0.88 0.65 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 50 K 9.28 4.31 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.29 4.75 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 52 E 8.65 3.93 0.00 2.05 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 2.37 2.37 0.00 53 A 7.97 3.98 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 54 E 7.95 3.94 0.00 2.10 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 2.34 0.00 55 M 8.08 4.14 0.00 2.08 2.26 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 2.76 2.54 0.00 56 K 8.23 3.94 0.00 1.75 1.98 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.77 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.47 4.29 0.00 3.93 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 59 E 8.88 4.00 0.00 2.14 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 2.40 2.50 0.00 60 D 8.18 4.49 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.15 3.03 0.00 1.00 1.50 -0.63 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.00 3.87 0.00 1.87 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.25 4.02 0.00 2.10 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.62 7.81 64 Q 8.46 4.24 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.94 0.00 65 G 8.59 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 0.00 0.00 0.00 66 V 7.92 3.64 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 1.06 0.00 0.00 0.99 0.00 0.00 67 R 8.12 3.97 0.00 2.20 2.07 0.00 3.41 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 68 V 8.05 3.65 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 1.09 0.00 0.00 1.20 0.00 0.00 69 L 8.16 4.23 0.00 1.78 1.84 0.85 0.73 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 70 T 8.33 4.05 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 1.26 0.00 0.00 71 A 8.25 4.00 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 72 L 8.30 3.71 0.00 1.61 1.60 0.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 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 0.00 0.00 0.00 74 A 7.85 3.95 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 75 I 7.55 3.75 1.84 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 1.53 1.10 0.88 0.00 0.00 76 L 7.91 3.96 0.00 1.32 1.57 -0.20 0.93 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 77 K 7.84 3.90 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.76 3.92 0.00 1.87 1.76 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.74 7.81 79 K 8.19 2.00 0.00 1.16 0.74 0.00 1.42 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.46 1.02 7.81 80 G 7.58 3.90 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 0.00 0.00 0.00 81 H 7.32 4.65 0.00 3.17 3.21 0.00 5.63 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 82 H 7.16 5.61 0.00 3.34 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.35 3.99 0.00 1.96 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 0.00 2.33 2.47 0.00 84 A 7.95 4.16 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 85 E 8.14 4.06 0.00 2.24 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 2.39 2.47 0.00 86 L 8.20 4.28 0.00 1.72 1.69 0.81 0.75 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 87 K 7.71 3.94 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 88 P 0.00 4.32 0.00 2.31 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.57 4.00 0.00 2.02 1.77 0.92 1.14 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 90 A 8.49 4.20 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 91 Q 8.27 3.93 0.00 2.18 2.14 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 2.34 2.36 0.00 92 S 8.26 4.06 0.00 4.06 4.14 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 93 H 8.78 4.19 0.00 3.63 3.67 0.00 5.80 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 94 A 8.12 2.89 0.99 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 95 T 7.46 3.92 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 96 K 7.49 4.01 0.00 1.55 1.61 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.35 7.81 97 H 7.96 4.27 0.00 3.04 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.17 0.00 1.78 1.73 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 1.19 7.81 99 I 7.91 4.34 2.14 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 1.50 0.98 1.19 0.00 0.00 100 P 0.00 4.61 0.00 1.86 1.85 0.00 2.96 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 1.25 1.87 0.00 101 I 8.78 3.73 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.86 0.83 0.00 0.00 102 K 7.80 3.96 0.00 1.63 1.48 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.29 7.81 103 Y 7.96 4.26 0.00 3.23 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 0.00 104 L 7.94 4.22 0.00 1.85 1.82 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.33 4.02 0.00 2.03 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 2.31 2.44 0.00 106 F 7.89 4.53 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 0.00 107 I 8.21 3.84 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 1.06 0.00 0.00 108 S 8.32 4.17 0.00 4.20 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 0.00 109 E 8.61 4.01 0.00 2.16 2.30 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 2.39 2.42 0.00 110 A 8.17 3.99 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 0.00 111 I 8.05 3.63 2.09 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 1.56 0.70 1.04 0.00 0.00 112 I 7.96 3.79 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 1.13 0.00 0.00 113 H 8.52 4.09 0.00 3.34 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.93 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 115 L 7.91 3.73 0.00 0.45 0.41 0.77 0.79 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 0.00 116 H 8.14 4.42 0.00 3.45 3.63 0.00 5.94 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 0.00 117 S 7.82 4.22 0.00 4.03 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 0.00 118 R 8.04 4.02 0.00 1.60 1.64 0.00 3.11 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 119 H 8.23 5.05 0.00 3.29 3.19 0.00 5.82 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 0.00 120 P 0.00 4.36 0.00 2.18 2.17 0.00 3.84 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 1.94 0.00 121 G 8.08 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.14 5.12 0.00 2.77 2.87 0.00 0.00 6.65 7.44 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 0.00 123 F 7.90 4.87 0.00 2.97 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 0.00 124 G 7.79 3.90 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 0.00 0.00 0.00 125 A 8.42 3.90 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 0.00 126 D 7.98 4.18 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 0.00 127 A 7.74 3.90 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 0.00 128 Q 7.84 2.94 0.00 1.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 129 G 8.16 3.53 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 0.00 0.00 0.00 130 A 7.91 3.81 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 M 8.11 3.98 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.54 4.29 0.00 2.86 2.91 0.00 0.00 6.87 6.30 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 0.00 133 K 8.22 3.82 0.00 1.89 1.69 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.96 3.86 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 0.00 135 L 8.31 4.11 0.00 1.75 1.83 1.00 1.06 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 0.00 136 E 8.75 3.97 0.00 2.15 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 0.00 2.34 2.61 0.00 137 L 8.11 3.95 0.00 1.88 1.96 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.42 4.14 0.00 3.11 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 0.00 139 R 8.28 3.41 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 140 K 8.26 3.81 0.00 1.82 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.23 4.32 0.00 2.68 2.68 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 0.00 0.00 0.00 142 I 7.65 3.38 1.13 0.00 0.00 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 0.78 -0.36 -0.03 0.00 0.00 143 A 7.90 3.75 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 0.00 144 A 7.89 3.91 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 0.00 145 K 8.06 3.92 0.00 1.88 1.94 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.53 4.48 0.00 3.12 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 0.00 147 K 8.18 3.95 0.00 1.86 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.02 4.03 0.00 2.22 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 2.36 2.53 0.00 149 L 7.94 4.31 0.00 1.87 1.74 1.05 0.91 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 0.00 150 G 7.98 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 0.00 0.00 0.00 151 Y 7.87 4.79 0.00 2.58 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 0.00 152 Q 8.49 3.83 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 153 G 6.02 3.48 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 0.00