NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4406 8.2893 120.3513 54.8656 33.4653 174.1187 2 E 5.2990 7.4766 121.2184 55.5520 31.0889 174.5319 3 A 4.5468 8.5693 124.9846 50.2164 22.0376 177.4510 4 K 4.7009 8.8615 121.4529 54.7509 34.1224 174.9076 5 A 4.3658 8.2339 120.3015 50.8869 20.5065 174.7737 6 I 2.9364 7.8759 119.4514 61.3411 35.5775 173.9861 7 A 4.4328 8.4943 128.2085 50.0925 19.7598 175.6738 8 R 3.8667 8.1191 120.2386 57.0829 31.5591 176.3750 9 Y 3.9528 8.2047 114.3834 58.4148 35.2336 171.4593 10 V 3.4023 8.5109 121.8210 65.7626 32.6521 176.1662 11 R 4.0388 8.8328 117.0080 55.0064 26.8604 174.0526 12 I 4.0128 6.8811 114.2060 59.7168 42.2412 173.6406 13 S 4.1815 8.2242 122.0251 57.7391 62.7002 172.2417 14 P 4.3833 0.0000 0.0000 65.1554 30.7842 179.0230 15 R 3.8792 7.7431 116.6734 59.4216 30.3986 178.4787 16 K 4.0902 7.7566 118.0342 59.8857 32.0983 179.7459 17 V 3.7274 7.8035 111.6511 63.9196 31.7264 178.4336 18 R 3.9521 8.3566 118.4219 59.7981 29.6225 178.3263 19 L 3.9891 7.3645 117.3628 57.8855 41.9439 179.3051 20 V 3.7828 7.8192 111.4605 64.6306 31.5909 178.6696 21 V 3.5813 8.2020 118.0568 66.2740 31.2941 177.7262 22 D 4.6185 8.3404 116.9346 56.3597 40.8040 177.7722 23 L 4.3142 7.6859 120.0550 56.0428 42.3677 176.5146 24 I 4.5292 8.0410 109.0076 59.9907 38.9640 175.3966 25 R 3.6477 8.3105 121.2680 58.2571 30.1828 175.8423 26 G 4.5525 8.6893 113.6321 45.7651 0.0000 171.7938 27 K 4.7190 7.4382 120.4314 53.8997 37.0604 175.8908 28 S 4.4834 8.6419 115.8493 58.6560 64.2339 174.8832 29 L 3.9400 8.4339 127.3466 58.4010 41.5194 178.6901 30 E 3.9187 8.3381 118.6167 59.4542 29.2914 178.4364 31 E 4.2682 8.2582 119.9009 58.6825 29.8438 178.0970 32 A 3.9999 8.0308 120.8749 55.7848 18.2669 179.2279 33 R 3.8273 7.9268 115.7792 59.9399 30.2802 178.4984 34 N 4.3397 7.9063 115.1477 57.6186 38.6658 176.8506 35 I 3.4149 8.3648 117.5950 65.1175 37.1651 177.5620 36 L 3.8719 8.2638 121.6249 57.7893 41.8787 179.6020 37 R 3.8215 8.0040 117.6364 58.7965 29.7614 176.3696 38 Y 4.7699 8.6443 115.3422 57.7294 39.2369 174.8400 39 T 4.3557 7.9060 118.1079 62.1625 69.2770 174.0911 40 N 4.8151 8.6079 126.1227 52.7685 37.6745 173.4919 41 K 4.3887 7.8169 122.7001 54.7664 35.9827 175.8693 42 R 4.3243 8.3909 118.4434 58.4038 30.3141 177.8940 43 G 3.9051 8.4243 105.1222 48.8451 0.0000 174.2813 44 A 3.6272 8.3171 117.9414 55.4266 17.9281 178.2229 45 Y 3.6291 7.9988 117.4546 60.2368 39.2584 178.5850 46 F 4.3221 7.3541 118.3389 59.8940 39.4371 177.9893 47 V 3.6631 8.6376 118.0650 65.9087 31.2668 177.4051 48 A 3.9985 9.7630 120.3728 54.2237 17.5648 180.1777 49 K 4.1806 6.0533 118.8646 57.7229 34.0370 177.2562 50 V 3.4824 8.0449 118.5177 65.3311 31.0077 177.6872 51 L 3.9316 8.3258 120.9191 57.5995 42.0983 179.2509 52 E 3.9127 8.3538 119.1851 59.2378 29.4773 178.8251 53 S 4.0581 8.5153 113.4666 61.1532 62.4886 175.5804 54 A 3.9296 8.1325 122.8775 55.9004 17.7144 178.5443 55 A 3.8814 7.8702 117.1493 55.7624 18.5433 179.5985 56 A 3.5572 8.4843 114.3215 55.0643 18.7550 179.4180 57 N 4.0485 9.0622 112.3744 56.3203 38.7887 177.4433 58 A 3.9201 8.5552 122.1288 54.6663 18.7495 178.8915 59 V 3.6118 8.8923 117.2865 64.4035 30.6642 178.3089 60 N 4.0076 8.1319 115.5362 56.4383 40.5555 173.3442 61 N 4.6653 8.5586 116.4388 54.3726 39.8411 175.5640 62 H 4.7306 8.1515 112.2796 54.9278 29.6877 174.4811 63 D 4.3159 7.6612 114.7244 54.8815 37.7274 172.8720 64 M 4.2955 8.1497 124.7416 54.6721 34.6835 172.3552 65 L 3.4916 7.4097 126.3512 54.6221 39.8441 174.3004 66 E 3.5986 7.8857 124.0131 58.9167 30.8112 178.8583 67 D 4.5213 7.8770 120.4333 57.4356 41.3929 178.4907 68 R 4.3043 8.2994 116.3394 56.3843 30.8321 175.9447 69 L 5.7926 8.5433 119.8428 54.6753 42.9017 175.2603 70 Y 4.7864 8.4624 118.0656 56.7285 41.7505 174.7708 71 V 4.0949 8.4580 113.9259 60.8675 30.6713 177.0789 72 K 3.3392 7.6368 126.0585 58.0411 32.3857 175.4120 73 A 4.4724 7.7604 118.2967 51.6417 23.1220 174.2984 74 A 5.0331 7.9942 118.4656 51.9463 22.1345 174.9435 75 Y 4.8246 8.7187 117.2561 56.7564 41.9085 173.0172 76 V 4.8014 8.4075 118.1056 60.1279 34.5168 174.4271 77 D 5.0629 8.6125 122.3330 52.0107 44.5533 175.1276 78 E 4.1993 8.8632 122.1958 56.6339 30.5211 176.0700 79 G 4.3059 8.5763 113.7701 43.3546 0.0000 170.3875 80 P 4.4447 0.0000 0.0000 62.2134 31.7165 176.0236 81 A 4.3594 8.3912 125.2134 51.5901 19.7792 176.4507 82 L 4.4832 8.6067 120.8130 53.1095 43.1944 176.3424 83 K 4.7110 8.5535 124.0353 56.2407 33.1476 176.9273 84 R 4.7157 9.0856 122.1020 54.5440 34.8893 174.3479 85 V 4.4735 8.3674 122.0323 62.0974 33.0364 174.9800 86 L 4.6320 9.2249 130.0790 52.3803 44.4622 173.5852 87 P 4.4761 0.0000 0.0000 63.3947 31.8891 175.9508 88 R 4.7064 8.6104 124.4920 53.8454 33.0436 175.1368 89 A 4.1608 8.5206 126.3365 54.0423 18.7284 177.6544 90 R 3.7961 8.8281 119.8592 57.9096 27.1965 176.3039 91 G 4.0249 8.1965 101.4709 46.6926 0.0000 175.6724 92 R 3.7893 8.0720 119.6661 57.8246 30.5945 173.2200 93 A 3.8276 8.1665 125.9102 52.0018 18.1830 175.6504 94 D 5.1576 8.8357 121.5885 52.5449 45.5807 175.2008 95 I 4.6546 8.1843 113.3865 59.4362 38.8191 174.9987 96 I 4.0837 9.2611 129.6842 60.2299 39.5599 174.8910 97 K 4.7794 8.4540 128.3144 54.6167 33.0649 176.4355 98 K 4.2052 8.9982 126.4363 56.0644 31.8335 177.4249 99 R 4.5825 8.3513 124.6996 56.3689 32.1028 175.2287 100 T 4.8206 8.0780 110.7640 60.8950 71.2534 172.5774 101 S 5.0409 8.6682 121.3184 57.1853 67.4628 172.8186 102 H 4.8873 9.0629 120.1285 54.1138 29.8558 171.9049 103 I 4.3122 8.1306 123.3622 60.7187 38.3578 174.7896 104 T 4.8812 8.5158 124.4470 61.7194 71.0808 173.9617 105 V 4.8496 8.1986 124.3703 61.2901 35.5460 173.4149 106 I 5.5226 8.9188 121.2296 58.0311 40.0407 175.4358 107 L 4.9112 7.9182 127.1140 54.1046 43.5916 175.6224 108 G 4.1823 7.9561 104.9118 45.8467 0.0000 172.1562 109 E 4.6696 8.7936 120.0213 55.2791 30.1482 176.5013 110 K 3.6106 9.6608 127.9427 57.9046 32.8334 177.6005 111 H 4.7930 7.0632 114.1686 54.9554 31.5911 173.7530 112 G 4.0837 7.9878 104.6711 45.9590 0.0000 174.3044 113 K 4.2036 8.4757 126.3887 54.5888 32.1535 175.8604 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 4.44 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 E 7.48 5.30 0.00 2.12 1.87 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 2.01 2.35 0.00 3 A 8.57 4.55 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.86 4.70 0.00 1.63 1.75 0.00 1.78 0.00 0.00 0.89 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 5 A 8.23 4.37 1.22 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 0.00 0.00 0.00 6 I 7.88 2.94 1.78 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 1.29 0.43 0.75 0.00 0.00 7 A 8.49 4.43 1.17 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 0.00 0.00 8 R 8.12 3.87 0.00 1.22 0.86 0.00 2.82 0.00 0.00 2.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 9 Y 8.20 3.95 0.00 3.08 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 10 V 8.51 3.40 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 -0.14 0.00 0.00 0.85 0.00 0.00 11 R 8.83 4.04 0.00 1.81 2.22 0.00 3.49 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 12 I 6.88 4.01 1.83 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.78 0.00 0.00 13 S 8.22 4.18 0.00 3.90 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 14 P 0.00 4.38 0.00 2.18 2.03 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.02 0.00 15 R 7.74 3.88 0.00 1.79 2.03 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 16 K 7.76 4.09 0.00 2.07 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 V 7.80 3.73 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 0.93 0.00 0.00 0.97 0.00 0.00 18 R 8.36 3.95 0.00 1.99 2.05 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 L 7.36 3.99 0.00 1.98 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.82 3.78 2.12 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 0.86 0.00 0.00 1.07 0.00 0.00 21 V 8.20 3.58 2.28 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 1.08 0.00 0.00 0.97 0.00 0.00 22 D 8.34 4.62 0.00 2.66 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 23 L 7.69 4.31 0.00 1.85 1.83 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.04 4.53 1.89 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 1.20 1.01 0.93 0.00 0.00 25 R 8.31 3.65 0.00 1.80 1.95 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 26 G 8.69 4.55 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 27 K 7.44 4.72 0.00 1.93 1.71 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.77 7.81 28 S 8.64 4.48 0.00 4.09 4.04 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 0.00 0.00 0.00 0.00 29 L 8.43 3.94 0.00 1.84 1.76 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.34 3.92 0.00 2.09 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 2.41 2.41 0.00 31 E 8.26 4.27 0.00 2.06 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 2.34 2.21 0.00 32 A 8.03 4.00 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 33 R 7.93 3.83 0.00 2.06 2.00 0.00 3.16 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 34 N 7.91 4.34 0.00 2.80 3.01 0.00 0.00 7.12 6.90 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 35 I 8.36 3.41 2.01 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 1.57 1.01 0.95 0.00 0.00 36 L 8.26 3.87 0.00 1.66 1.74 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.00 3.82 0.00 1.74 2.10 0.00 2.82 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 38 Y 8.64 4.77 0.00 2.89 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 39 T 7.91 4.36 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 1.24 0.00 0.00 40 N 8.61 4.82 0.00 2.70 2.79 0.00 0.00 7.07 6.68 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 41 K 7.82 4.39 0.00 1.75 1.70 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 42 R 8.39 4.32 0.00 1.90 1.99 0.00 3.30 0.00 0.00 3.54 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 43 G 8.42 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 44 A 8.32 3.63 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 45 Y 8.00 3.63 0.00 2.85 2.70 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 0.00 0.00 0.00 46 F 7.35 4.32 0.00 3.14 2.93 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 47 V 8.64 3.66 2.12 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 1.02 0.00 0.00 0.98 0.00 0.00 48 A 9.76 4.00 1.10 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 49 K 6.05 4.18 0.00 1.24 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.41 7.81 50 V 8.04 3.48 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 0.94 0.00 0.00 0.91 0.00 0.00 51 L 8.33 3.93 0.00 1.73 2.11 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.35 3.91 0.00 2.07 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 2.28 2.34 0.00 53 S 8.52 4.06 0.00 3.86 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 54 A 8.13 3.93 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 55 A 7.87 3.88 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 56 A 8.48 3.56 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 57 N 9.06 4.05 0.00 2.94 2.92 0.00 0.00 7.05 8.24 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 58 A 8.56 3.92 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 59 V 8.89 3.61 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 0.99 0.00 0.00 0.94 0.00 0.00 60 N 8.13 4.01 0.00 2.77 2.81 0.00 0.00 6.84 7.79 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 61 N 8.56 4.67 0.00 2.92 2.71 0.00 0.00 6.89 8.20 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 62 H 8.15 4.73 0.00 3.19 3.29 0.00 5.99 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.66 4.32 0.00 2.88 2.84 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 0.00 0.00 0.00 64 M 8.15 4.30 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 65 L 7.41 3.49 0.00 1.86 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.89 3.60 0.00 2.06 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 2.40 2.41 0.00 67 D 7.88 4.52 0.00 2.71 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 68 R 8.30 4.30 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 69 L 8.54 5.79 0.00 1.84 1.89 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.46 4.79 0.00 3.24 2.90 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 71 V 8.46 4.09 2.21 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 0.87 0.00 0.00 0.98 0.00 0.00 72 K 7.64 3.34 0.00 1.53 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 73 A 7.76 4.47 1.03 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 0.00 0.00 74 A 7.99 5.03 1.23 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 75 Y 8.72 4.82 0.00 2.98 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 V 8.41 4.80 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 0.77 0.00 0.00 0.88 0.00 0.00 77 D 8.61 5.06 0.00 2.49 2.53 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 78 E 8.86 4.20 0.00 1.94 1.83 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 2.28 2.35 0.00 79 G 8.58 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 0.00 0.00 0.00 0.00 80 P 0.00 4.44 0.00 2.10 2.05 0.00 3.91 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 1.73 1.67 0.00 81 A 8.39 4.36 1.22 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 0.00 0.00 0.00 82 L 8.61 4.48 0.00 1.61 1.58 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.55 4.71 0.00 1.62 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 84 R 9.09 4.72 0.00 1.62 1.74 0.00 3.26 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 85 V 8.37 4.47 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 0.76 0.00 0.00 0.92 0.00 0.00 86 L 9.22 4.63 0.00 1.71 1.49 0.92 -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 0.00 0.00 0.00 0.00 87 P 0.00 4.48 0.00 1.97 2.01 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 R 8.61 4.71 0.00 1.98 1.75 0.00 3.24 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 89 A 8.52 4.16 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 90 R 8.83 3.80 0.00 1.99 2.08 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 91 G 8.20 4.02 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 0.00 0.00 0.00 92 R 8.07 3.79 0.00 1.99 1.95 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 93 A 8.17 3.83 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 94 D 8.84 5.16 0.00 2.58 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 95 I 8.18 4.65 1.86 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 1.22 0.62 0.90 0.00 0.00 96 I 9.26 4.08 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 1.22 1.44 0.92 0.00 0.00 97 K 8.45 4.78 0.00 1.65 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 K 9.00 4.21 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 99 R 8.35 4.58 0.00 1.72 2.02 0.00 3.44 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 100 T 8.08 4.82 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 1.30 0.00 0.00 101 S 8.67 5.04 0.00 3.68 3.62 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 0.00 102 H 9.06 4.89 0.00 3.04 3.00 0.00 5.62 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 0.00 103 I 8.13 4.31 1.82 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 1.19 0.59 0.90 0.00 0.00 104 T 8.52 4.88 3.69 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 1.33 0.00 0.00 105 V 8.20 4.85 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 0.99 0.00 0.00 0.95 0.00 0.00 106 I 8.92 5.52 1.81 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 1.30 0.96 0.94 0.00 0.00 107 L 7.92 4.91 0.00 1.61 1.60 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.96 4.18 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 0.00 109 E 8.79 4.67 0.00 1.92 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 2.32 2.34 0.00 110 K 9.66 3.61 0.00 1.56 1.70 0.00 0.93 0.00 0.00 0.77 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.32 7.81 111 H 7.06 4.79 0.00 3.22 3.16 0.00 5.63 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 0.00 112 G 7.99 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 0.00 0.00 0.00 113 K 8.48 4.20 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81