NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2736 8.3149 120.1294 56.0882 34.3622 175.9011 4 I 4.0508 7.5296 119.3493 60.3936 38.1401 174.1033 5 I 4.0722 9.3916 129.3912 60.6499 39.0073 174.5190 6 H 4.9305 8.6880 125.2873 54.6629 28.6785 175.2706 7 L 4.5832 8.6252 124.2409 54.3943 42.8422 176.3858 8 T 5.1136 8.1717 107.7558 58.0924 72.1190 174.8206 9 D 4.4086 9.1500 121.8270 57.8696 40.8898 178.6620 10 D 4.5977 8.1728 117.0511 55.8795 41.3249 177.5035 11 S 4.6874 7.7900 113.0402 57.9303 63.6620 175.6057 12 F 3.8771 7.9666 125.9611 61.5488 39.0272 176.0112 13 D 4.4411 8.3800 117.3560 57.9793 40.8118 178.3959 14 T 3.9760 7.7510 108.0268 64.5080 69.1646 175.7724 15 D 4.4195 8.0137 120.6733 55.8116 41.2112 176.6824 16 V 3.8579 7.3130 115.8215 64.1995 32.2673 177.4818 17 L 4.1997 7.4141 117.7292 56.4914 41.3762 178.3640 18 K 4.4644 7.3692 115.4127 55.4567 33.4291 176.5295 19 A 3.9131 7.6597 123.4272 54.4515 18.3750 177.0061 20 D 4.2267 8.2187 114.5370 52.1329 38.5104 172.3101 21 G 4.1869 7.4921 110.0704 43.6114 0.0000 169.0715 22 A 4.5800 7.8801 121.8255 51.3642 20.0290 176.6125 23 I 4.8560 8.7365 123.1710 59.4161 41.0707 174.2969 24 L 4.9835 9.1001 130.5704 53.8258 43.4738 175.0542 25 V 4.6989 9.4310 128.1461 61.3640 33.9059 173.9440 26 D 5.2920 8.9701 128.4723 52.6604 42.8173 174.9018 27 F 5.0246 9.4964 127.2797 56.8385 40.3060 175.2177 28 W 5.4132 8.7215 120.2594 55.5522 32.2603 173.4139 29 A 4.0105 8.2267 118.4626 50.4610 21.0719 177.5639 30 E 4.1612 8.3829 121.7646 58.3883 29.9421 177.5919 31 W 4.7291 7.0127 113.4662 56.4434 29.0598 175.5547 32 C 4.7821 7.6420 120.6500 58.0873 32.6310 173.7265 33 G 3.6715 8.7707 115.3050 47.7732 0.0000 173.5539 34 P 4.2976 0.0000 0.0000 65.2824 31.2963 178.4995 35 C 4.1444 8.0312 114.9323 62.7680 27.9243 175.9329 36 K 3.9340 7.7505 119.5407 59.4368 31.7779 178.5641 37 M 4.1606 7.6047 118.3067 58.5161 32.3221 178.3739 38 I 3.8112 7.8630 117.5352 62.7119 38.2233 177.2639 39 A 3.7467 7.5600 121.8516 55.3649 18.1362 177.9462 40 P 4.4876 0.0000 0.0000 65.0079 31.3412 179.0123 41 I 3.8455 7.5129 118.5641 64.1529 37.0488 178.2264 42 L 3.9319 7.9013 120.0269 57.8091 40.9592 179.0177 43 D 4.3333 7.8990 118.3808 57.3758 40.6978 178.7164 44 E 3.9560 7.8069 117.2029 58.9389 29.8404 178.8297 45 I 3.7672 7.9428 119.7012 64.1795 36.8289 178.3588 46 A 3.9785 7.8952 120.8723 55.3921 18.4833 178.8228 47 D 4.4526 7.5644 116.9523 57.9982 40.7148 178.7729 48 E 3.9939 8.1277 117.8375 60.1069 30.0076 178.7603 49 Y 4.3430 8.4490 113.0808 57.4641 37.4826 175.1261 50 Q 4.1603 7.5363 122.4340 57.7827 29.2529 174.3102 51 G 3.5455 8.2910 119.7059 45.1388 0.0000 173.7229 52 K 4.5429 7.4979 116.3128 55.8740 33.4832 175.3726 53 L 4.7318 7.5767 119.6190 54.6200 45.2143 173.8888 54 T 4.6148 8.9209 122.3961 61.7655 71.3993 173.1585 55 V 4.7101 8.3490 125.8625 61.3095 33.4526 174.2090 56 A 5.2249 9.2093 129.4283 50.0233 22.6708 174.6642 57 K 5.0306 9.0037 119.2858 54.4844 36.4619 175.4305 58 L 4.8428 8.8200 124.8356 53.1909 45.2610 174.9949 59 N 3.8325 8.6727 126.7925 52.6777 39.1438 175.4433 60 I 4.0232 7.9606 121.0567 62.9071 37.5552 177.4584 61 D 4.5235 8.5101 123.4923 57.3885 40.9865 177.9861 62 Q 4.1525 8.0909 116.0331 57.9482 28.8250 176.0144 63 N 5.0433 8.1021 115.8083 50.6138 38.7005 172.8707 64 P 4.5882 0.0000 0.0000 63.8746 32.2969 178.4958 65 G 3.7794 8.2476 107.8037 47.6152 0.0000 175.5842 66 T 3.9085 8.0331 116.9808 66.4163 69.1594 176.6295 67 A 3.8118 8.4006 122.7804 55.1366 18.1569 177.5539 68 P 4.2358 0.0000 0.0000 65.7944 31.1352 178.2295 69 K 4.1471 7.6711 114.5400 57.5970 31.8986 177.0201 70 Y 4.6317 7.6424 116.7013 56.6670 38.7852 175.6429 71 G 3.9781 7.8016 106.5134 45.9516 0.0000 174.8249 72 I 3.5923 7.7893 118.7020 61.6511 37.4407 176.2746 73 R 4.5138 8.5218 124.3817 56.2307 31.8621 175.3009 74 G 4.3028 7.5764 104.0628 44.6932 0.0000 172.0443 75 I 4.8499 7.9081 112.8422 57.7247 41.0178 173.2923 76 P 4.7432 0.0000 0.0000 63.3626 32.7974 174.8685 77 T 4.8233 8.8805 119.4363 61.9651 71.0492 173.3029 78 L 5.1488 8.8937 127.1719 53.2808 43.7934 175.3520 79 L 5.0462 9.2247 125.3867 52.8213 44.4418 175.5953 80 L 4.7999 8.9892 127.4058 53.8297 43.1984 175.1815 81 F 4.9195 9.8560 127.3218 56.5948 41.0374 175.5486 82 K 4.5189 8.9515 123.4894 54.9752 34.7672 175.0239 83 N 4.2803 9.5655 126.1761 55.2158 35.4721 174.2291 84 G 4.2440 8.1779 98.2483 45.9860 0.0000 171.2226 85 E 4.7365 8.0727 117.8846 53.7747 33.1530 175.2248 86 V 3.1515 8.4516 122.8642 63.2128 31.6568 175.2883 87 A 4.4426 8.5927 129.7620 53.5272 19.7688 176.9108 88 A 4.4775 7.3009 113.5600 51.6791 22.3543 175.3188 89 T 5.1258 8.6587 114.4619 60.3166 70.8777 173.0867 90 K 4.4107 8.9081 128.5663 54.7782 35.9524 174.5933 91 V 4.5638 9.6177 127.2299 60.8216 33.0180 173.9375 92 G 4.1876 7.9179 113.0185 43.2373 0.0000 173.9340 93 A 4.3051 7.8899 125.7453 50.8160 16.5731 177.5900 94 L 4.2082 7.5205 121.3559 53.9067 42.9823 178.2071 95 S 4.5005 9.0148 117.5605 57.2383 65.5942 174.9395 96 K 3.8824 8.6405 121.5217 59.8592 31.6841 178.2161 97 G 3.7232 8.0716 104.8804 48.1553 0.0000 174.9259 98 Q 4.0434 7.6317 119.6805 58.6413 28.7656 179.2393 99 L 4.0095 8.0619 120.9493 58.0615 42.0671 179.0716 100 K 3.9805 8.0206 118.4267 59.6127 32.0857 178.9722 101 E 4.0163 8.7736 119.0977 59.4830 28.8828 179.3338 102 F 4.2650 8.3736 120.5101 61.4370 39.4382 177.2703 103 L 3.7866 8.4172 119.0520 57.7648 41.1218 179.2585 104 D 4.4502 8.4406 118.3807 57.1242 40.8715 178.3323 105 A 4.1533 7.8920 120.1025 53.8688 18.4940 178.1809 106 N 4.7252 7.4091 111.1913 52.8817 39.9003 175.2389 107 L 4.3841 7.5595 125.4956 54.7497 42.1370 175.8945 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 3 K 8.31 4.27 0.00 1.74 1.93 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 4 I 7.53 4.05 1.74 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 1.27 0.52 0.80 0.00 0.00 5 I 9.39 4.07 1.79 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 1.17 0.70 0.85 0.00 0.00 6 H 8.69 4.93 0.00 3.07 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.63 4.58 0.00 1.67 1.69 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.17 5.11 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 1.24 0.00 0.00 9 D 9.15 4.41 0.00 2.68 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 10 D 8.17 4.60 0.00 2.67 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 11 S 7.79 4.69 0.00 4.12 4.08 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 0.00 0.00 0.00 12 F 7.97 3.88 0.00 3.25 3.20 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 0.00 13 D 8.38 4.44 0.00 2.86 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 14 T 7.75 3.98 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 15 D 8.01 4.42 0.00 2.67 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 16 V 7.31 3.86 0.83 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 -0.17 0.00 0.00 -0.05 0.00 0.00 17 L 7.41 4.20 0.00 1.95 1.78 1.18 1.10 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 18 K 7.37 4.46 0.00 1.78 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.36 1.62 7.81 19 A 7.66 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 20 D 8.22 4.23 0.00 2.92 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 21 G 7.49 4.19 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 0.00 22 A 7.88 4.58 1.29 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 0.00 0.00 23 I 8.74 4.86 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 1.26 1.22 0.84 0.00 0.00 24 L 9.10 4.98 0.00 1.74 1.54 1.08 0.58 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 25 V 9.43 4.70 2.39 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 0.52 0.00 0.00 0.79 0.00 0.00 26 D 8.97 5.29 0.00 2.79 2.50 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 27 F 9.50 5.02 0.00 3.15 3.06 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 28 W 8.72 5.41 0.00 3.41 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 29 A 8.23 4.01 -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 30 E 8.38 4.16 0.00 1.91 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 2.39 2.48 0.00 31 W 7.01 4.73 0.00 3.56 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 32 C 7.64 4.78 0.00 2.79 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 33 G 8.77 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 34 P 0.00 4.30 0.00 2.19 2.14 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.03 4.14 0.00 3.21 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 36 K 7.75 3.93 0.00 1.79 1.99 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 37 M 7.60 4.16 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 38 I 7.86 3.81 1.83 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 1.39 1.30 0.91 0.00 0.00 39 A 7.56 3.75 1.18 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 0.00 0.00 40 P 0.00 4.49 0.00 2.13 2.07 0.00 4.07 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 2.06 1.97 0.00 41 I 7.51 3.85 1.92 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 1.70 0.83 0.89 0.00 0.00 42 L 7.90 3.93 0.00 1.76 1.61 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.90 4.33 0.00 2.84 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 44 E 7.81 3.96 0.00 2.18 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 2.29 2.51 0.00 45 I 7.94 3.77 1.91 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 1.73 1.03 0.60 0.00 0.00 46 A 7.90 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 47 D 7.56 4.45 0.00 2.83 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 48 E 8.13 3.99 0.00 2.18 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 2.38 2.42 0.00 49 Y 8.45 4.34 0.00 3.17 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 50 Q 7.54 4.16 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 51 G 8.29 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.54 0.00 1.87 1.87 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.29 1.39 7.81 53 L 7.58 4.73 0.00 1.73 1.67 0.89 0.84 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 54 T 8.92 4.61 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 1.16 0.00 0.00 55 V 8.35 4.71 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 1.00 0.00 0.00 0.88 0.00 0.00 56 A 9.21 5.22 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 57 K 9.00 5.03 0.00 1.79 1.77 0.00 1.42 0.00 0.00 1.33 0.00 0.00 2.59 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.23 1.23 7.81 58 L 8.82 4.84 0.00 1.58 1.02 1.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.67 3.83 0.00 2.07 2.37 0.00 0.00 6.90 7.84 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 60 I 7.96 4.02 1.90 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 1.06 1.03 0.00 0.00 61 D 8.51 4.52 0.00 2.73 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 62 Q 8.09 4.15 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.21 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 63 N 8.10 5.04 0.00 2.78 3.01 0.00 0.00 6.64 7.61 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 64 P 0.00 4.59 0.00 2.18 2.17 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 65 G 8.25 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 66 T 8.03 3.91 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 0.41 0.00 0.00 67 A 8.40 3.81 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 68 P 0.00 4.24 0.00 2.11 2.10 0.00 3.56 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 2.21 2.18 0.00 69 K 7.67 4.15 0.00 1.35 1.36 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 70 Y 7.64 4.63 0.00 2.77 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 71 G 7.80 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 72 I 7.79 3.59 1.80 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 1.24 0.48 0.93 0.00 0.00 73 R 8.52 4.51 0.00 1.72 1.90 0.00 3.44 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 74 G 7.58 4.30 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 0.00 75 I 7.91 4.85 1.89 0.00 0.00 0.55 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 0.78 1.00 0.00 0.00 76 P 0.00 4.74 0.00 2.26 2.26 0.00 3.67 0.00 0.00 3.87 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 77 T 8.88 4.82 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 78 L 8.89 5.15 0.00 1.61 1.62 0.83 0.74 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 79 L 9.22 5.05 0.00 1.99 1.58 0.89 -0.15 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 80 L 8.99 4.80 0.00 1.82 1.55 0.66 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 81 F 9.86 4.92 0.00 3.05 2.96 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 82 K 8.95 4.52 0.00 1.82 1.64 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 83 N 9.57 4.28 0.00 2.89 2.85 0.00 0.00 7.18 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 84 G 8.18 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 0.00 0.00 0.00 0.00 85 E 8.07 4.74 0.00 1.98 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 0.00 2.30 2.50 0.00 86 V 8.45 3.15 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 0.55 0.00 0.00 0.48 0.00 0.00 87 A 8.59 4.44 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 88 A 7.30 4.48 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 89 T 8.66 5.13 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 1.20 0.00 0.00 90 K 8.91 4.41 0.00 0.94 1.01 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.55 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.80 1.15 7.81 91 V 9.62 4.56 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 0.89 0.00 0.00 0.90 0.00 0.00 92 G 7.92 4.19 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 0.00 93 A 7.89 4.31 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 94 L 7.52 4.21 0.00 1.61 1.58 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.01 4.50 0.00 4.02 4.01 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 96 K 8.64 3.88 0.00 1.88 1.86 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.61 7.81 97 G 8.07 3.72 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 0.00 0.00 0.00 98 Q 7.63 4.04 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 99 L 8.06 4.01 0.00 1.90 1.64 0.86 0.63 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 0.00 100 K 8.02 3.98 0.00 2.16 1.97 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.66 7.81 101 E 8.77 4.02 0.00 2.24 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 2.37 2.52 0.00 102 F 8.37 4.26 0.00 3.07 3.27 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 0.00 103 L 8.42 3.79 0.00 1.54 1.53 0.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.44 4.45 0.00 2.66 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 0.00 105 A 7.89 4.15 1.36 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 0.00 0.00 106 N 7.41 4.73 0.00 2.25 2.59 0.00 0.00 6.91 7.73 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 0.00 107 L 7.56 4.38 0.00 1.74 1.58 0.91 1.45 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