NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5085 8.1627 118.3345 54.7805 33.2700 174.0483 2 K 3.9705 8.7003 123.4045 56.1197 33.1871 174.6357 3 K 4.6781 9.7206 127.8649 55.0779 36.4242 174.4243 4 H 4.8576 9.2957 117.4203 54.5040 31.8787 172.9252 5 I 5.1165 8.9140 125.0489 59.4497 40.5355 174.8529 6 I 4.8812 8.8684 127.4340 59.8087 39.3673 174.4994 7 I 4.8075 8.8503 128.6572 59.4078 39.6804 174.4336 8 K 4.9354 9.1120 129.0752 55.2636 33.8366 174.8271 9 T 5.5356 8.6241 120.1545 59.7659 71.7435 173.2802 10 I 4.5812 7.5999 120.3114 59.2820 40.0778 174.9419 11 P 4.5793 0.0000 0.0000 65.1899 30.9825 179.0906 12 K 4.2000 8.0515 115.2552 57.9528 32.0979 178.1369 13 K 4.4579 7.8473 117.7381 56.1261 32.7270 177.5007 14 E 3.9747 8.0618 121.1354 59.0089 29.5324 178.1216 15 E 4.1527 8.0971 120.2096 58.2517 29.7710 178.5078 16 I 3.9085 7.5653 120.0156 64.1238 36.9144 178.4305 17 I 3.8070 7.5958 120.5327 64.4614 36.8716 178.4680 18 S 4.1474 8.2953 114.9316 61.0279 62.7712 175.1517 19 R 4.2818 8.0622 121.8826 58.3744 30.3238 177.8936 20 D 4.4713 7.9133 117.5554 57.3995 41.1876 178.5061 21 L 3.1875 8.0191 120.7926 58.0986 42.0107 178.1285 22 C 4.2070 7.8777 118.4232 59.8603 43.3224 175.2794 23 D 4.3823 8.1935 119.6700 57.3406 40.4171 177.7883 24 C 4.5262 8.4616 119.0597 59.9881 42.4577 175.8058 25 I 3.8191 8.0734 121.5671 64.4826 36.4011 177.7073 26 Y 4.6433 8.1389 119.8962 60.8174 38.5681 176.6803 27 Y 3.9941 7.5911 120.1416 60.7100 38.8619 176.9448 28 Y 4.1863 7.8867 114.8603 59.6261 38.7858 174.9675 29 D 4.5405 8.1918 119.0429 52.4797 42.3276 175.2493 30 N 4.5520 8.8041 124.4941 55.3978 38.7081 176.2924 31 S 4.7373 8.1813 113.0460 57.7799 63.5253 174.6030 32 V 4.2972 7.5167 120.8452 61.6455 31.7334 175.7329 33 I 4.6653 8.2826 123.2129 59.7978 40.6998 175.0539 34 C 5.5113 8.6641 122.1919 55.4117 44.2582 173.9101 35 K 4.6488 9.2673 122.3212 54.4023 36.0776 174.2367 36 P 4.7301 0.0000 0.0000 62.7154 31.7978 176.2644 37 I 4.3974 8.4973 114.9695 60.8635 39.3916 174.9538 38 G 4.0963 7.5191 108.7033 43.9835 0.0000 171.8012 39 P 4.3089 0.0000 0.0000 65.4275 31.3127 177.5678 40 S 4.8485 8.0472 112.3796 57.6358 65.5252 173.3472 41 K 5.2005 8.3487 119.3450 54.6631 36.1269 175.5090 42 V 4.8457 8.7995 123.5237 61.3023 35.1239 173.4079 43 Y 5.1402 9.0970 129.4503 56.8614 40.3877 174.2224 44 V 4.4995 8.4205 125.7864 60.9386 35.5980 173.7957 45 S 5.1188 8.0969 121.7560 56.2374 64.7395 172.6320 46 T 4.8469 7.8376 120.2572 61.3600 70.9204 172.3409 47 S 4.9154 8.2390 117.3882 57.0985 64.1010 175.2620 48 L 3.9538 8.4233 121.4628 57.8169 41.4054 179.4230 49 E 3.8818 8.0736 118.8752 59.4140 29.1020 178.5420 50 N 4.2058 8.1092 116.5551 55.9184 38.5441 176.9927 51 L 3.9541 7.9828 121.8678 58.5133 42.2258 179.1279 52 E 4.1431 8.2108 117.9692 58.9572 29.0991 179.2838 53 K 3.8180 7.5734 117.7532 59.0667 32.2033 177.9010 54 C 4.6960 7.5523 116.5385 59.2724 40.6944 175.9577 55 L 3.9052 8.1389 120.6954 57.6766 41.6827 178.5575 56 Q 4.1475 7.9243 116.8481 57.8970 29.1347 176.8171 57 L 4.2654 7.6857 121.7269 54.5204 42.6375 177.5320 58 H 4.1491 9.0186 121.8659 59.4031 29.5921 176.6928 59 Y 3.9689 8.0058 120.1977 60.7751 38.7335 177.6728 60 F 4.7196 7.9810 117.0695 59.6007 39.6227 177.7650 61 K 3.9480 8.3395 119.4240 59.5994 31.7066 178.6917 62 K 3.9224 7.8971 118.6817 58.8084 32.2496 178.0374 63 L 4.3673 7.8228 117.6923 54.3263 41.6480 176.0712 64 V 4.3325 6.8842 119.6223 61.4171 32.1975 175.5619 65 K 4.3285 8.9397 128.2185 59.1568 32.5268 176.8756 66 N 4.7937 7.6516 114.6016 52.1148 40.2375 173.0952 67 I 5.0549 8.3359 112.5070 59.1401 40.6846 174.3913 68 E 4.5648 9.2946 124.3993 54.7071 32.0376 174.7847 69 I 4.6147 8.0830 125.3990 59.7495 38.8442 175.1183 70 F 5.0077 9.1927 124.9745 55.9871 42.3078 175.7590 71 D 4.6835 9.3635 120.7019 56.3749 41.8625 176.7594 72 E 4.7954 8.1540 115.5753 54.9256 34.3742 174.7110 73 V 4.6164 7.7607 113.7835 60.0258 35.2103 174.8402 74 H 5.0541 8.7941 119.9122 54.3484 33.1021 174.3004 75 N 4.5571 9.0245 118.0723 54.2958 37.9266 174.8954 76 S 4.7043 7.5603 112.0411 55.8673 66.2852 173.3223 77 K 2.9189 7.9083 122.9080 55.1205 32.1044 175.0851 78 P 4.2124 0.0000 0.0000 62.3387 32.0750 175.9928 79 N 4.5837 8.3472 119.2066 52.7136 37.8864 172.9390 80 C 4.9254 8.1405 118.5082 53.8987 44.3527 172.1223 81 D 4.4785 8.0147 117.7674 54.6996 42.6748 177.2337 82 K 4.4683 7.5392 122.3247 54.8583 31.1492 174.8722 83 C 5.1965 7.4865 112.9176 53.6795 45.9781 174.6087 84 L 4.7559 9.0115 123.3694 53.8499 43.5530 174.9974 85 I 5.0427 8.5245 126.7182 59.5703 39.7448 174.9382 86 V 4.3736 8.8795 127.2670 61.0004 34.1670 173.5641 87 E 4.8653 8.8292 129.1266 54.6849 31.1402 175.0457 88 I 4.2956 8.6157 127.9395 60.3139 39.7567 175.7410 89 G 3.6307 9.6506 114.0490 46.5628 0.0000 174.0464 90 G 3.7662 8.9881 106.6676 44.5852 0.0000 173.9529 91 V 4.2517 7.3543 119.7751 60.9451 34.4560 173.8569 92 Y 4.7862 8.8162 125.9539 56.8626 39.4859 174.4925 93 F 4.9288 9.3261 124.2354 55.9367 41.3149 175.1894 94 V 5.0534 8.8564 122.3783 61.1775 34.7384 174.0815 95 R 5.1878 9.4116 127.6250 54.7164 33.2071 173.9398 96 R 4.9374 9.1950 125.0587 54.5588 32.3597 176.9196 97 V 3.9807 8.2463 114.7287 61.5637 32.0396 175.7022 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 8.16 4.51 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 K 8.70 3.97 0.00 1.87 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.47 7.81 3 K 9.72 4.68 0.00 1.76 1.88 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 4 H 9.30 4.86 0.00 3.32 3.59 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.91 5.12 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.97 0.00 0.00 6 I 8.87 4.88 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.92 0.00 0.00 7 I 8.85 4.81 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.91 0.00 0.00 8 K 9.11 4.94 0.00 1.84 1.78 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 9 T 8.62 5.54 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 I 7.60 4.58 1.86 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 1.29 0.56 0.90 0.00 0.00 11 P 0.00 4.58 0.00 2.15 2.09 0.00 3.87 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 2.11 2.03 0.00 12 K 8.05 4.20 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 13 K 7.85 4.46 0.00 1.84 1.77 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.51 7.81 14 E 8.06 3.97 0.00 2.12 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 2.32 2.33 0.00 15 E 8.10 4.15 0.00 2.10 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 2.40 2.27 0.00 16 I 7.57 3.91 2.05 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 1.54 0.76 1.03 0.00 0.00 17 I 7.60 3.81 2.04 0.00 0.00 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 1.74 0.96 0.90 0.00 0.00 18 S 8.30 4.15 0.00 4.08 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 19 R 8.06 4.28 0.00 1.98 2.02 0.00 3.14 0.00 0.00 3.20 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 20 D 7.91 4.47 0.00 3.47 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.02 3.19 0.00 1.23 1.70 0.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.88 4.21 0.00 3.01 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 23 D 8.19 4.38 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.46 4.53 0.00 3.27 3.26 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 25 I 8.07 3.82 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.97 0.00 0.00 26 Y 8.14 4.64 0.00 3.04 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 27 Y 7.59 3.99 0.00 2.72 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 28 Y 7.89 4.19 0.00 3.19 3.12 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 29 D 8.19 4.54 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.80 4.55 0.00 2.76 2.88 0.00 0.00 7.06 7.57 0.00 0.00 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 S 8.18 4.74 0.00 4.02 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 32 V 7.52 4.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 33 I 8.28 4.67 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 1.08 0.00 0.00 34 C 8.66 5.51 0.00 2.77 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 35 K 9.27 4.65 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.61 7.81 36 P 0.00 4.73 0.00 2.06 2.15 0.00 3.65 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 2.04 2.10 0.00 37 I 8.50 4.40 1.87 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 1.37 0.68 1.02 0.00 0.00 38 G 7.52 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 0.00 0.00 0.00 39 P 0.00 4.31 0.00 2.23 2.33 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 40 S 8.05 4.85 0.00 3.74 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 41 K 8.35 5.20 0.00 1.62 1.65 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 42 V 8.80 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 43 Y 9.10 5.14 0.00 3.17 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 44 V 8.42 4.50 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 0.82 0.00 0.00 0.85 0.00 0.00 45 S 8.10 5.12 0.00 3.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.84 4.85 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 1.18 0.00 0.00 47 S 8.24 4.92 0.00 4.03 3.96 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 48 L 8.42 3.95 0.00 1.69 1.74 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.07 3.88 0.00 2.00 1.91 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 2.31 2.33 0.00 50 N 8.11 4.21 0.00 2.79 2.87 0.00 0.00 6.68 6.86 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 51 L 7.98 3.95 0.00 1.71 1.82 0.85 0.82 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 52 E 8.21 4.14 0.00 2.05 1.95 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 2.48 2.47 0.00 53 K 7.57 3.82 0.00 1.37 1.25 0.00 0.76 0.00 0.00 0.85 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.43 7.81 54 C 7.55 4.70 0.00 3.20 2.99 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 55 L 8.14 3.91 0.00 1.66 1.70 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.92 4.15 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 57 L 7.69 4.27 0.00 2.03 1.70 1.09 0.99 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 58 H 9.02 4.15 0.00 3.27 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.01 3.97 0.00 2.69 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 60 F 7.98 4.72 0.00 3.23 2.99 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 61 K 8.34 3.95 0.00 2.12 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 62 K 7.90 3.92 0.00 1.74 1.69 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.54 7.81 63 L 7.82 4.37 0.00 1.89 1.67 0.78 0.47 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 64 V 6.88 4.33 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 0.80 0.00 0.00 1.03 0.00 0.00 65 K 8.94 4.33 0.00 1.82 1.84 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.38 7.81 66 N 7.65 4.79 0.00 2.69 2.85 0.00 0.00 5.72 7.69 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 67 I 8.34 5.05 1.86 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 1.32 0.71 0.90 0.00 0.00 68 E 9.29 4.56 0.00 1.92 1.70 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 2.17 2.24 0.00 69 I 8.08 4.61 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 1.32 0.48 0.90 0.00 0.00 70 F 9.19 5.01 0.00 3.49 3.28 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 71 D 9.36 4.68 0.00 2.74 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 72 E 8.15 4.80 0.00 1.89 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 2.35 2.42 0.00 73 V 7.76 4.62 1.54 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 -0.32 0.00 0.00 0.57 0.00 0.00 74 H 8.79 5.05 0.00 3.13 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.02 4.56 0.00 2.85 2.94 0.00 0.00 5.84 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 76 S 7.56 4.70 0.00 3.87 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 77 K 7.91 2.92 0.00 1.04 1.46 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.08 7.81 78 P 0.00 4.21 0.00 2.14 1.84 0.00 3.59 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 79 N 8.35 4.58 0.00 2.64 2.77 0.00 0.00 6.78 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 80 C 8.14 4.93 0.00 3.06 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 81 D 8.01 4.48 0.00 2.63 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 82 K 7.54 4.47 0.00 1.79 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 83 C 7.49 5.20 0.00 2.97 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 84 L 9.01 4.76 0.00 1.84 1.69 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.52 5.04 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 1.09 0.00 0.00 86 V 8.88 4.37 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.11 0.00 0.00 87 E 8.83 4.87 0.00 1.78 1.70 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 1.81 1.47 0.00 88 I 8.62 4.30 1.77 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 1.02 0.64 0.80 0.00 0.00 89 G 9.65 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 90 G 8.99 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 91 V 7.35 4.25 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 0.50 0.00 0.00 0.77 0.00 0.00 92 Y 8.82 4.79 0.00 3.10 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 93 F 9.33 4.93 0.00 2.35 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 0.00 0.00 0.00 0.00 94 V 8.86 5.05 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 1.12 0.00 0.00 1.04 0.00 0.00 95 R 9.41 5.19 0.00 2.08 1.83 0.00 3.32 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 96 R 9.20 4.94 0.00 1.75 1.84 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 97 V 8.25 3.98 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 0.68 0.00 0.00 0.93 0.00 0.00