NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4296 8.3349 115.4126 58.2202 63.2821 171.5686 2 K 4.1678 8.1041 127.2671 56.2007 33.2207 175.6821 3 T 4.1763 8.5404 119.6775 65.2267 70.5870 175.0966 4 N 4.4176 7.9530 120.3212 53.0623 39.8909 173.6796 5 P 4.3811 0.0000 0.0000 64.9845 31.5626 178.6591 6 R 4.0682 8.1440 117.2853 58.5710 30.1589 178.3433 7 L 3.9379 7.9812 119.8069 58.1199 42.0565 178.4031 8 S 4.0812 7.9351 112.3789 61.9966 62.4978 176.1512 9 S 4.1469 7.9049 115.0243 61.1040 62.1342 175.4854 10 L 4.0108 8.6122 123.2214 58.6513 41.7429 179.4163 11 I 3.5426 8.4548 119.5210 64.2349 36.9597 178.2704 12 A 3.9949 8.0848 121.7643 55.0759 18.1167 179.5492 13 D 4.2128 7.8181 116.9831 57.3723 41.0659 178.4541 14 L 3.7792 8.3895 120.1489 58.0061 41.5952 179.5850 15 K 3.9497 8.1953 118.0636 59.5975 32.0400 178.9530 16 S 4.0451 8.3390 112.9086 61.8735 62.3497 176.5267 17 A 4.0392 8.5167 123.2903 55.0260 17.9461 179.4792 18 A 4.2429 8.1002 118.3047 54.9278 18.5064 179.5066 19 R 4.2141 8.0959 116.1532 59.5414 30.5007 178.0830 20 S 4.1911 8.1137 114.9745 60.5910 63.0801 176.9618 21 S 4.5730 8.2186 117.9066 57.8683 64.4172 175.1953 22 G 3.9099 8.4805 107.7368 46.0267 0.0000 174.1696 23 G 3.6477 8.0122 109.2760 45.1383 0.0000 174.3692 24 A 4.5997 8.1258 123.7807 51.9140 21.4897 178.6917 25 V 3.5667 7.3463 109.1011 64.0219 31.4103 178.6366 26 W 4.9195 7.6442 118.6495 59.9342 28.9306 178.7153 27 G 3.6459 8.1989 105.2247 47.5438 0.0000 175.2135 28 D 4.3325 8.0779 120.4950 57.1426 41.2796 178.4677 29 V 3.5354 7.9843 118.5057 66.0860 31.6494 177.5073 30 A 4.0274 8.2437 120.6545 55.7125 17.7134 179.5471 31 E 4.2526 7.9953 118.1700 58.8389 29.3474 179.1068 32 R 3.8196 7.7919 116.9502 58.0673 30.2774 177.5347 33 L 4.2106 7.5799 117.5299 57.1274 41.9195 178.2710 34 E 4.1781 8.2878 118.1524 57.6591 29.3097 177.4298 35 K 4.1767 6.8477 117.6712 54.8958 33.0741 174.9716 36 P 4.2141 0.0000 0.0000 63.1370 31.8481 177.7491 37 R 3.5810 8.8157 121.8897 59.3903 30.1321 178.9070 38 R 3.9550 7.8618 112.7970 58.6196 29.5842 177.4189 39 T 4.1969 8.1322 107.8923 62.9049 69.4120 174.9091 40 H 4.3479 7.9244 119.4935 55.5279 29.4124 174.5862 41 A 4.1604 8.2595 123.8961 52.0146 19.1944 176.8613 42 E 4.8662 8.8120 123.4986 54.4211 29.3101 174.4875 43 V 4.3835 8.4952 122.7817 61.0070 34.0710 175.1604 44 N 5.4512 8.4242 123.9110 51.4077 40.4893 176.3113 45 L 3.9910 8.6466 118.6649 58.2975 41.3986 180.0985 46 G 3.9577 8.0917 105.2880 48.0950 0.0000 175.5079 47 R 3.8093 7.6042 120.7119 59.0126 30.1563 178.5221 48 I 3.7577 7.9196 119.7377 64.6265 36.8735 177.4576 49 E 3.8623 8.1855 118.3564 59.2380 29.4640 177.9697 50 R 3.8358 7.3956 118.6109 59.5467 30.1927 177.3263 51 Y 4.7364 7.4252 112.8619 57.7747 39.6295 176.3861 52 A 4.3668 7.5531 122.3776 51.8169 19.2300 176.5404 53 Q 4.6492 8.0602 117.0425 53.8076 31.3446 175.1931 54 E 4.0419 8.6797 118.5045 57.7853 30.0165 176.4923 55 D 4.5195 8.7057 117.2384 55.0240 38.4890 174.2323 56 E 4.7446 7.5399 120.5518 54.2028 31.6182 174.4138 57 T 4.1410 8.6094 123.7392 64.1376 69.9302 173.1712 58 V 4.5490 9.1426 126.6408 61.7125 33.5156 174.5110 59 V 4.8030 9.1403 128.2783 61.1520 34.0231 174.3021 60 V 4.7470 9.0088 128.4006 59.6617 33.4515 174.0367 61 P 4.8640 0.0000 0.0000 59.8788 28.6459 175.2567 62 G 4.3378 6.7833 118.9730 46.9372 0.0000 171.6129 63 K 4.9943 9.2493 126.4596 54.2380 36.0346 174.3466 64 V 4.9117 8.3508 124.2686 61.1715 34.1717 174.7392 65 L 4.8007 9.2574 127.8610 53.1737 44.2881 176.6921 66 G 4.2340 8.4194 106.8088 46.5155 0.0000 173.5521 67 S 4.4195 8.1828 118.0491 58.5284 63.9708 173.5933 68 G 4.0479 8.8232 109.8838 44.4012 0.0000 172.4604 69 V 4.2781 8.1195 118.0207 60.6057 33.2572 174.1455 70 L 4.7243 8.5373 128.6088 53.4401 43.9404 175.1506 71 Q 4.4913 8.9258 124.4078 56.9553 31.0010 176.9379 72 K 3.9611 8.2024 116.0239 57.0140 32.7683 177.0641 73 D 5.4858 8.3854 123.3458 52.8086 39.7990 174.7775 74 V 4.8639 7.8304 115.3282 59.2030 36.1722 174.1830 75 T 4.7448 8.3532 119.2162 62.4883 70.5554 173.8789 76 V 5.0052 8.9183 125.4902 61.0281 35.0692 173.9812 77 A 5.9400 9.9914 128.5254 49.2909 21.3650 174.8603 78 A 5.1380 8.4007 122.5501 49.4820 22.6692 176.8987 79 V 3.5899 8.2333 119.5391 66.1447 32.1336 175.6630 80 D 4.7240 7.3384 117.0285 53.3288 44.5446 174.1183 81 F 5.3606 8.6343 120.4187 55.3575 43.1869 174.9128 82 S 4.3755 9.3098 117.8869 58.0611 63.8024 175.5861 83 G 3.6524 8.7459 106.2880 48.0966 0.0000 176.1396 84 T 3.9367 7.8809 117.3994 66.4533 68.4796 176.6428 85 A 4.2998 8.6035 123.0968 54.6822 17.9964 178.6698 86 E 3.8756 8.2123 116.3403 57.9808 29.5166 178.0936 87 T 3.9839 7.3282 114.7644 65.8787 69.1532 177.0249 88 K 4.1753 8.4197 119.8916 59.3386 32.3219 179.3226 89 I 3.8747 7.6129 120.3039 64.3984 37.0457 178.0410 90 D 4.3954 7.3494 118.5686 57.4151 40.7072 179.4895 91 Q 4.0988 7.3375 118.1322 58.7756 29.1593 177.6799 92 V 4.2646 7.7265 111.0818 61.4112 33.9500 175.9692 93 G 4.5800 7.7292 112.8047 45.1625 0.0000 176.2282 94 E 4.9853 6.4875 120.1984 55.0026 34.0382 172.7539 95 A 4.9118 8.5052 127.6951 50.1073 20.8495 175.9567 96 V 4.6069 8.9834 122.9623 60.7183 35.4811 175.2743 97 S 4.6293 8.6495 121.0403 57.9250 63.6985 175.0636 98 L 4.1680 8.2416 124.3701 58.1889 41.2234 179.1173 99 E 3.9252 7.8220 117.6121 58.3954 29.3181 178.7247 100 Q 4.1863 8.3156 118.4197 58.0599 29.3595 177.4686 101 A 4.1014 8.0053 121.2369 55.5016 18.0093 179.5307 102 I 3.0777 6.8900 117.0698 64.4623 37.2399 178.1368 103 E 4.0442 7.3194 118.6749 58.6347 29.4821 177.7259 104 N 4.7171 8.3942 115.8663 53.9202 40.7380 174.9140 105 N 5.1378 8.8659 118.4349 51.0762 38.8535 173.0075 106 P 4.6913 0.0000 0.0000 65.4464 31.9915 178.2371 107 E 4.0430 8.4986 117.4776 56.8168 30.3292 176.2207 108 G 3.3403 8.2598 106.9863 46.3968 0.0000 173.5201 109 S 4.5602 8.0474 111.0535 57.7369 66.1336 174.5419 110 H 3.9661 8.6358 118.5980 56.7132 25.4139 174.3971 111 V 4.7981 7.1623 116.6711 59.9685 35.0189 176.3736 112 R 4.5479 8.9232 124.6280 54.6244 32.3038 174.6005 113 V 4.7678 8.3280 125.9852 61.4662 32.7782 174.7015 114 I 4.8397 8.4528 128.5837 59.6189 40.5635 176.0623 115 R 4.1686 8.2945 119.9219 56.7571 29.0634 174.8035 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 S 8.33 4.43 0.00 3.99 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 2 K 8.10 4.17 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.42 1.48 7.81 3 T 8.54 4.18 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 4 N 7.95 4.42 0.00 2.75 2.71 0.00 0.00 7.26 7.71 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 5 P 0.00 4.38 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 6 R 8.14 4.07 0.00 1.88 1.95 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 7 L 7.98 3.94 0.00 1.75 1.83 0.93 0.88 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 8 S 7.94 4.08 0.00 3.91 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 9 S 7.90 4.15 0.00 4.23 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 10 L 8.61 4.01 0.00 1.86 1.94 0.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.45 3.54 2.01 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 1.45 0.56 0.92 0.00 0.00 12 A 8.08 3.99 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 13 D 7.82 4.21 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.78 0.00 1.88 1.75 0.89 0.77 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 15 K 8.20 3.95 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 16 S 8.34 4.05 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.52 4.04 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 18 A 8.10 4.24 1.59 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 0.00 0.00 19 R 8.10 4.21 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 20 S 8.11 4.19 0.00 4.07 3.80 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 0.00 0.00 0.00 21 S 8.22 4.57 0.00 4.18 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 22 G 8.48 3.91 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 0.00 0.00 0.00 23 G 8.01 3.65 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 0.00 0.00 0.00 24 A 8.13 4.60 1.19 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 0.00 0.00 25 V 7.35 3.57 1.65 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 0.59 0.00 0.00 -0.36 0.00 0.00 26 W 7.64 4.92 0.00 3.34 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 27 G 8.20 3.65 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 0.00 0.00 0.00 28 D 8.08 4.33 0.00 2.98 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 29 V 7.98 3.54 2.41 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 1.01 0.00 0.00 1.17 0.00 0.00 30 A 8.24 4.03 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 31 E 8.00 4.25 0.00 2.15 2.02 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 2.34 2.33 0.00 32 R 7.79 3.82 0.00 1.81 2.08 0.00 3.45 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 33 L 7.58 4.21 0.00 1.84 1.69 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.29 4.18 0.00 2.05 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 2.64 0.00 35 K 6.85 4.18 0.00 1.97 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.73 7.81 36 P 0.00 4.21 0.00 2.16 1.98 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.82 3.58 0.00 1.79 1.94 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 38 R 7.86 3.95 0.00 1.91 2.05 0.00 3.02 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 1.58 1.60 0.00 39 T 8.13 4.20 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 H 7.92 4.35 0.00 3.31 3.26 0.00 5.67 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 41 A 8.26 4.16 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 42 E 8.81 4.87 0.00 1.84 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 0.00 2.20 2.27 0.00 43 V 8.50 4.38 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.42 5.45 0.00 2.80 3.07 0.00 0.00 7.63 6.74 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 45 L 8.65 3.99 0.00 1.73 1.73 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.09 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 0.00 0.00 0.00 47 R 7.60 3.81 0.00 1.74 1.97 0.00 3.23 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 48 I 7.92 3.76 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.96 0.00 0.00 49 E 8.19 3.86 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 50 R 7.40 3.84 0.00 1.64 1.41 0.00 2.55 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.47 0.00 51 Y 7.43 4.74 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.55 4.37 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 53 Q 8.06 4.65 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 54 E 8.68 4.04 0.00 2.06 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 2.63 2.36 0.00 55 D 8.71 4.52 0.00 2.80 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 56 E 7.54 4.74 0.00 2.14 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 2.24 2.15 0.00 57 T 8.61 4.14 4.31 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 1.33 0.00 0.00 58 V 9.14 4.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.14 4.80 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 1.03 0.00 0.00 1.10 0.00 0.00 60 V 9.01 4.75 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 0.90 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.86 0.00 2.11 2.22 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 6.78 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 0.00 0.00 0.00 0.00 63 K 9.25 4.99 0.00 1.71 1.57 0.00 1.57 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.31 7.81 64 V 8.35 4.91 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 1.15 0.00 0.00 0.70 0.00 0.00 65 L 9.26 4.80 0.00 1.88 1.54 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.42 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 0.00 0.00 0.00 0.00 67 S 8.18 4.42 0.00 4.09 3.81 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 68 G 8.82 4.05 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 0.00 0.00 0.00 69 V 8.12 4.28 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.54 4.72 0.00 1.60 1.52 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.93 4.49 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.20 3.96 0.00 1.75 1.77 0.00 1.92 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 73 D 8.39 5.49 0.00 2.85 2.56 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 74 V 7.83 4.86 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 0.92 0.00 0.00 0.97 0.00 0.00 75 T 8.35 4.74 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 1.25 0.00 0.00 76 V 8.92 5.01 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 1.16 0.00 0.00 1.02 0.00 0.00 77 A 9.99 5.94 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 78 A 8.40 5.14 0.54 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 0.00 0.00 79 V 8.23 3.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 80 D 7.34 4.72 0.00 2.78 2.37 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 81 F 8.63 5.36 0.00 2.88 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 82 S 9.31 4.38 0.00 3.90 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 83 G 8.75 3.65 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 0.00 0.00 0.00 84 T 7.88 3.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 85 A 8.60 4.30 1.51 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 0.00 0.00 86 E 8.21 3.88 0.00 2.12 2.02 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 2.15 2.00 0.00 87 T 7.33 3.98 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.42 4.18 0.00 1.68 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 89 I 7.61 3.87 1.77 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 1.55 1.06 0.91 0.00 0.00 90 D 7.35 4.40 0.00 2.63 2.73 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 91 Q 7.34 4.10 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 92 V 7.73 4.26 2.24 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 0.69 0.00 0.00 0.94 0.00 0.00 93 G 7.73 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 6.49 4.99 0.00 2.03 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 2.12 2.16 0.00 95 A 8.51 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.98 4.61 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 1.02 0.00 0.00 0.96 0.00 0.00 97 S 8.65 4.63 0.00 4.08 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 98 L 8.24 4.17 0.00 1.93 1.64 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.82 3.93 0.00 2.14 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 0.00 2.27 2.27 0.00 100 Q 8.32 4.19 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 101 A 8.01 4.10 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 0.00 102 I 6.89 3.08 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.36 0.65 0.00 0.00 103 E 7.32 4.04 0.00 2.07 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 2.31 2.33 0.00 104 N 8.39 4.72 0.00 2.73 2.89 0.00 0.00 6.67 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 0.00 105 N 8.87 5.14 0.00 2.74 2.99 0.00 0.00 6.84 7.89 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 0.00 106 P 0.00 4.69 0.00 2.31 2.25 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.50 4.04 0.00 2.01 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 2.34 2.40 0.00 108 G 8.26 3.34 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 0.00 109 S 8.05 4.56 0.00 4.08 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 0.00 110 H 8.64 3.97 0.00 3.36 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.16 4.80 2.02 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 0.48 0.00 0.00 0.87 0.00 0.00 112 R 8.92 4.55 0.00 2.27 1.83 0.00 3.08 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 113 V 8.33 4.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.88 0.00 0.00 114 I 8.45 4.84 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.16 1.00 0.00 0.00 115 R 8.29 4.17 0.00 1.87 1.83 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00