NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2238 8.2549 119.6925 56.2388 31.4665 174.6900 3 H 4.5325 8.6376 117.8810 55.4094 30.9067 171.6872 4 L 4.3283 9.6800 129.1068 55.4427 41.9633 172.4715 5 K 4.7016 8.4374 124.0756 55.6891 33.8738 176.0697 6 S 4.7171 7.8497 112.4535 56.5218 66.3305 175.1127 7 G 3.7792 8.2984 110.3355 44.8257 0.0000 172.6279 8 R 4.2159 7.8625 121.3405 55.5552 29.9883 176.6793 9 K 3.9310 8.2984 119.0445 57.8015 32.7794 176.7526 10 L 4.0879 7.9630 116.1079 54.6399 44.2455 174.1735 11 N 4.5509 8.5611 123.9605 52.8469 40.9537 174.5113 12 R 3.6776 10.6400 120.3156 55.9055 30.0267 175.8756 13 H 4.8151 7.8482 113.9663 54.3405 31.5680 176.1108 14 S 4.0381 8.5167 116.9487 61.9357 62.6621 177.0009 15 S 4.0991 8.1770 118.1432 61.0064 62.8807 175.3878 16 H 3.9564 8.0010 121.6703 58.8690 29.7542 176.7059 17 R 3.6077 8.3463 120.7211 59.7352 29.5843 177.7238 18 L 3.8045 8.2823 119.9624 57.9271 42.0002 179.2970 19 A 3.7482 8.2346 119.4908 54.9838 18.8091 178.6063 20 L 3.6618 8.5503 117.7693 58.9444 41.9937 178.7494 21 Y 4.2623 7.4806 115.3791 61.8705 37.8528 179.0844 22 R 4.2695 8.2933 118.9318 59.1703 29.7943 178.5732 23 N 3.9756 8.8030 116.9159 56.1453 38.6894 177.4140 24 Q 4.0742 8.3984 119.6178 58.8510 29.1561 177.9589 25 A 4.0572 8.4270 122.1158 55.2684 18.5902 179.5533 26 K 3.8864 9.0251 117.6311 59.9339 32.1234 179.7911 27 S 4.0105 7.6639 113.8977 61.5777 62.8288 176.6039 28 L 3.9853 8.4867 123.2940 57.7014 41.4947 179.0728 29 L 4.0667 7.7615 118.3883 58.0197 41.9573 178.7282 30 T 4.0159 8.1574 114.4393 66.4741 68.4572 175.2125 31 H 4.9476 8.4123 115.2923 54.7118 30.7205 174.8812 32 G 4.4492 8.4843 112.4149 45.0425 0.0000 173.7039 33 R 5.1193 7.6732 116.2617 54.1903 33.6798 174.8312 34 I 4.8217 8.8942 122.3707 59.6034 42.4902 173.7346 35 T 5.2458 8.4409 120.9992 62.1876 71.5820 173.5295 36 T 4.7692 8.8424 116.1745 60.5686 72.7919 173.1732 37 T 4.5560 8.4062 110.0697 61.0382 69.9226 175.2141 38 V 3.5548 8.6337 123.5968 65.9316 31.4368 176.3260 39 P 4.2171 0.0000 0.0000 65.8783 31.2078 178.5692 40 K 3.9934 7.7619 115.5949 59.3748 31.8065 179.3828 41 A 3.9570 8.3080 121.1631 55.2726 18.2222 179.8703 42 K 3.8659 8.3758 115.6698 59.2505 31.2472 178.7448 43 E 4.0457 8.0459 119.8348 58.6643 29.6621 177.9402 44 L 4.1140 7.9602 120.4347 58.9514 42.1370 178.8294 45 R 3.4306 8.0860 111.4170 59.6418 30.1980 178.0608 46 G 3.8741 8.5607 110.7401 48.1373 0.0000 174.7793 47 F 4.1154 7.5398 123.2317 61.2653 39.3725 177.4219 48 V 3.6720 8.1681 117.9223 66.0200 31.3834 177.1169 49 D 4.3840 8.4870 118.5903 58.0410 40.6353 178.3407 50 H 3.9432 8.1769 117.4772 59.7110 29.9885 176.7300 51 L 3.8320 7.3172 118.8316 58.4749 41.4386 179.2348 52 I 3.4910 8.0984 119.0895 65.3690 36.9171 177.6150 53 H 4.0372 8.8064 119.2128 59.1724 29.9152 177.3557 54 L 3.9929 7.9951 120.6991 57.7872 41.4384 178.8405 55 A 2.0000 7.2641 118.9023 54.5032 18.0146 179.2925 56 K 3.8135 7.5987 117.6794 58.7526 32.4756 177.6783 57 R 4.1799 7.1921 116.5283 55.9536 30.7263 176.2923 58 G 4.0447 8.3441 107.1696 46.1294 0.0000 174.1363 59 D 4.4878 8.1166 119.0141 53.6620 39.6897 177.4914 60 L 4.0884 8.5510 121.9899 57.6932 41.9126 178.7368 61 H 4.1421 8.3762 117.8757 59.6295 29.8738 176.3193 62 A 4.0083 8.3187 122.5052 55.8661 18.1355 179.1510 63 R 3.4968 8.0721 116.3008 59.4802 29.9090 178.4269 64 R 3.9291 8.4641 118.4176 59.6877 30.5341 178.5969 65 L 4.0071 8.8596 119.5126 58.0066 41.6194 179.5441 66 V 3.7889 8.4307 118.3258 66.2532 31.2239 178.0556 67 L 4.1324 8.1260 119.3446 57.7579 41.9067 178.7957 68 R 4.1006 8.2364 117.9890 59.4971 29.9881 177.2151 69 D 4.6517 7.8955 117.9625 55.0338 41.3645 176.7103 70 L 4.2195 7.2279 121.8946 55.4148 42.6519 176.9879 71 Q 4.3905 8.4350 120.1517 56.1340 31.3699 175.5581 72 D 4.5220 7.9486 117.4536 53.1967 41.8264 176.1344 73 V 3.4983 8.4357 127.2100 66.1708 31.4989 177.1615 74 K 3.7489 8.2355 118.5051 59.7669 31.7874 177.9572 75 L 3.9471 8.2639 120.0281 58.1128 41.9646 178.9660 76 V 3.6181 8.4526 118.4235 66.4886 31.4461 177.5883 77 R 3.8703 8.4181 117.3462 59.7835 29.9511 178.3058 78 K 4.0334 8.3809 118.7108 59.7754 32.1348 178.7113 79 L 4.0002 8.2196 120.4843 58.2695 41.9122 179.0561 80 F 3.8859 8.9718 116.7095 60.6629 38.9797 177.1846 81 D 4.5515 8.6748 117.3887 56.6632 40.8925 177.7358 82 E 4.4311 7.9229 116.3644 58.0270 31.1925 178.1511 83 I 3.8383 7.8782 119.5001 64.1640 37.4805 177.8918 84 A 3.9195 8.5008 121.7956 55.2255 17.9172 178.0233 85 P 4.1302 0.0000 0.0000 65.4789 31.4574 178.3609 86 R 3.7730 7.2731 116.2329 59.1890 30.2235 176.7270 87 Y 3.9327 7.7649 115.6588 55.7179 37.4817 177.3533 88 R 3.6122 8.3578 124.6360 58.7371 30.9531 176.7855 89 D 4.5771 7.8446 114.0324 55.0420 41.4504 176.3571 90 R 4.5226 7.7026 120.4089 55.1973 31.3485 176.5938 91 Q 4.3568 8.5339 127.0535 54.8226 27.5892 174.8954 92 G 2.8404 8.7639 111.9084 44.7604 0.0000 170.4580 93 G 3.5312 7.2938 102.7664 46.6592 0.0000 173.9568 94 Y 4.4471 6.7014 113.9702 57.9611 37.8815 175.6908 95 T 5.6379 7.2588 113.3311 60.8342 70.6572 172.7300 96 R 4.7324 9.2087 127.9633 54.4560 33.8177 174.2503 97 V 4.7823 8.4023 123.9369 61.2358 34.0963 174.3768 98 L 4.8762 8.7986 127.8945 52.7543 45.0906 175.9877 99 K 4.6522 8.6270 122.8688 55.9043 32.9011 176.8246 100 L 4.3988 8.3712 125.0131 54.0968 42.4622 177.1180 101 A 4.1175 8.4039 124.6947 53.0648 19.2218 175.9107 102 E 4.2040 8.8914 120.7644 56.4645 28.9932 174.3930 103 R 4.7703 7.9910 116.7391 53.6551 32.9603 175.0353 104 R 3.8218 8.2929 117.2682 57.4424 30.8167 177.9223 105 R 4.4213 8.4061 125.0005 53.2909 28.6110 175.6237 106 G 4.1494 7.2914 109.1634 45.7391 0.0000 171.5163 107 D 4.3322 8.5049 117.6187 53.0335 41.5010 176.7861 108 G 3.7177 8.7900 108.3219 45.5120 0.0000 173.0085 109 A 4.1194 8.9429 122.9361 51.3973 19.1238 175.8237 110 P 4.5602 0.0000 0.0000 64.1939 32.6519 175.5008 111 L 5.1072 8.4222 120.1091 53.3779 45.9056 174.9071 112 A 5.0992 8.9361 120.9326 50.8088 23.1091 175.2428 113 L 4.9981 9.3038 121.4581 54.0923 43.5362 175.7628 114 V 4.7889 8.9655 121.6934 61.5654 33.7402 174.1884 115 E 4.5830 8.7228 127.9257 55.3102 31.6973 175.9251 116 L 4.2423 9.0382 122.1063 53.7434 41.3946 176.3935 117 V 4.8457 8.5607 122.4146 61.6467 33.8380 170.2897 118 E 4.8012 8.6239 125.3710 55.9806 30.0287 176.5091 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 2 R 8.25 4.22 0.00 1.79 1.92 0.00 3.14 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 3 H 8.64 4.53 0.00 3.17 3.17 0.00 5.67 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 4 L 9.68 4.33 0.00 1.68 2.00 0.93 0.63 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 5 K 8.44 4.70 0.00 1.71 1.72 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.46 7.81 6 S 7.85 4.72 0.00 3.91 3.79 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 7 G 8.30 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 8 R 7.86 4.22 0.00 1.99 2.02 0.00 3.39 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 9 K 8.30 3.93 0.00 1.88 1.86 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.57 7.81 10 L 7.96 4.09 0.00 1.60 1.58 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.56 4.55 0.00 2.63 2.67 0.00 0.00 7.26 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 12 R 10.64 3.68 0.00 1.74 1.57 0.00 2.85 0.00 0.00 2.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.00 13 H 7.85 4.82 0.00 3.39 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.52 4.04 0.00 4.08 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 0.00 15 S 8.18 4.10 0.00 4.10 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 0.00 16 H 8.00 3.96 0.00 2.68 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.35 3.61 0.00 1.81 1.74 0.00 3.13 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.11 0.00 18 L 8.28 3.80 0.00 1.93 1.62 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.23 3.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.55 3.66 0.00 1.51 1.40 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.48 4.26 0.00 2.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.27 0.00 2.06 2.05 0.00 3.23 0.00 0.00 3.41 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 23 N 8.80 3.98 0.00 2.80 2.91 0.00 0.00 7.18 8.09 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 24 Q 8.40 4.07 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 25 A 8.43 4.06 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 0.00 0.00 0.00 0.00 0.00 26 K 9.03 3.89 0.00 1.95 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.68 7.81 27 S 7.66 4.01 0.00 4.06 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 28 L 8.49 3.99 0.00 1.86 1.86 0.97 0.78 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 29 L 7.76 4.07 0.00 1.84 1.74 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.16 4.02 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 1.17 0.00 0.00 31 H 8.41 4.95 0.00 3.21 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.48 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 5.12 0.00 1.68 1.82 0.00 3.17 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 34 I 8.89 4.82 1.92 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 1.27 1.18 0.99 0.00 0.00 35 T 8.44 5.25 4.26 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 1.27 0.00 0.00 36 T 8.84 4.77 4.26 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 1.23 0.00 0.00 37 T 8.41 4.56 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 38 V 8.63 3.55 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 0.88 0.00 0.00 0.99 0.00 0.00 39 P 0.00 4.22 0.00 2.20 2.11 0.00 3.57 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 2.12 2.20 0.00 40 K 7.76 3.99 0.00 2.01 2.05 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 A 8.31 3.96 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 42 K 8.38 3.87 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 43 E 8.05 4.05 0.00 2.23 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 2.35 1.75 0.00 44 L 7.96 4.11 0.00 2.00 1.70 0.98 1.21 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 45 R 8.09 3.43 0.00 1.82 1.71 0.00 3.13 0.00 0.00 3.29 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 46 G 8.56 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 0.00 0.00 0.00 47 F 7.54 4.12 0.00 3.03 3.13 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 0.00 0.00 0.00 0.00 48 V 8.17 3.67 2.25 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 1.03 0.00 0.00 1.05 0.00 0.00 49 D 8.49 4.38 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 50 H 8.18 3.94 0.00 3.21 3.38 0.00 5.81 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 51 L 7.32 3.83 0.00 1.80 1.68 0.39 0.71 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 52 I 8.10 3.49 2.26 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 1.67 0.92 0.27 0.00 0.00 53 H 8.81 4.04 0.00 3.34 3.42 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.00 3.99 0.00 1.87 1.68 0.62 0.50 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 55 A 7.26 2.00 0.71 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 0.00 0.00 56 K 7.60 3.81 0.00 1.63 1.79 0.00 1.66 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.39 7.81 57 R 7.19 4.18 0.00 1.83 1.83 0.00 3.17 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 58 G 8.34 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 0.00 0.00 0.00 59 D 8.12 4.49 0.00 2.91 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 60 L 8.55 4.09 0.00 1.72 1.72 0.91 0.93 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 61 H 8.38 4.14 0.00 3.24 3.54 0.00 5.78 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 62 A 8.32 4.01 1.63 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 63 R 8.07 3.50 0.00 1.62 1.92 0.00 2.98 0.00 0.00 3.12 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 64 R 8.46 3.93 0.00 1.87 2.00 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 65 L 8.86 4.01 0.00 1.90 1.68 0.85 0.59 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 66 V 8.43 3.79 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 67 L 8.13 4.13 0.00 1.81 1.70 0.98 0.90 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 68 R 8.24 4.10 0.00 1.90 2.01 0.00 3.22 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 69 D 7.90 4.65 0.00 2.62 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 70 L 7.23 4.22 0.00 1.66 1.65 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.44 4.39 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 72 D 7.95 4.52 0.00 2.79 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 73 V 8.44 3.50 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 0.73 0.00 0.00 0.90 0.00 0.00 74 K 8.24 3.75 0.00 1.97 2.04 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.59 7.81 75 L 8.26 3.95 0.00 1.98 1.85 0.96 0.75 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 76 V 8.45 3.62 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 0.67 0.00 0.00 0.94 0.00 0.00 77 R 8.42 3.87 0.00 2.05 1.97 0.00 3.20 0.00 0.00 3.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 78 K 8.38 4.03 0.00 1.86 2.05 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 79 L 8.22 4.00 0.00 1.94 2.06 1.11 1.30 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 80 F 8.97 3.89 0.00 3.04 3.13 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 0.00 0.00 0.00 0.00 81 D 8.67 4.55 0.00 2.63 2.74 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 82 E 7.92 4.43 0.00 2.05 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 2.22 2.38 0.00 83 I 7.88 3.84 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.24 1.08 0.00 0.00 84 A 8.50 3.92 1.20 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 0.00 0.00 85 P 0.00 4.13 0.00 1.94 2.06 0.00 3.80 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 2.19 2.11 0.00 86 R 7.27 3.77 0.00 0.75 1.45 0.00 3.03 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 87 Y 7.76 3.93 0.00 2.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.61 0.00 1.82 1.91 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 89 D 7.84 4.58 0.00 2.72 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 90 R 7.70 4.52 0.00 2.00 2.16 0.00 3.63 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 91 Q 8.53 4.36 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 92 G 8.76 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 0.00 0.00 0.00 93 G 7.29 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 94 Y 6.70 4.45 0.00 2.85 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 0.00 0.00 0.00 95 T 7.26 5.64 4.43 0.00 0.00 0.00 0.00 0.00 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 96 R 9.21 4.73 0.00 1.89 1.72 0.00 3.10 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 97 V 8.40 4.78 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 0.88 0.00 0.00 0.93 0.00 0.00 98 L 8.80 4.88 0.00 1.61 1.51 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.63 4.65 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 100 L 8.37 4.40 0.00 1.56 1.60 0.93 0.94 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 0.00 101 A 8.40 4.12 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 0.00 102 E 8.89 4.20 0.00 2.17 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 2.18 2.28 0.00 103 R 7.99 4.77 0.00 1.83 1.91 0.00 3.07 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 104 R 8.29 3.82 0.00 2.15 1.97 0.00 3.17 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 105 R 8.41 4.42 0.00 1.80 1.90 0.00 3.26 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 106 G 7.29 4.15 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 0.00 107 D 8.50 4.33 0.00 2.73 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 0.00 108 G 8.79 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 0.00 109 A 8.94 4.12 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 0.00 110 P 0.00 4.56 0.00 2.13 2.20 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 111 L 8.42 5.11 0.00 1.58 1.57 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.94 5.10 1.20 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 0.00 0.00 113 L 9.30 5.00 0.00 1.74 1.79 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.97 4.79 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 1.10 0.00 0.00 0.95 0.00 0.00 115 E 8.72 4.58 0.00 2.01 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 2.29 2.30 0.00 116 L 9.04 4.24 0.00 1.69 1.70 1.03 0.77 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 0.00 117 V 8.56 4.85 2.33 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 0.97 0.00 0.00 0.98 0.00 0.00 118 E 8.62 4.80 0.00 2.08 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 1.98 2.07 0.00