NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2208 8.3101 120.1344 55.8588 33.3752 175.5244 14 A 3.9508 8.5012 126.9754 50.9022 18.9631 174.9945 15 K 4.1394 8.2618 121.9490 55.6742 33.9809 176.2660 16 S 4.3129 8.5829 121.4222 58.5680 64.9509 175.4438 17 R 3.9531 8.6102 122.4706 59.5738 29.7517 179.4605 18 S 4.1155 8.0671 114.3467 61.7723 62.9580 176.3554 19 S 4.1412 8.0209 117.6653 62.1786 62.4684 177.4035 20 R 3.9766 7.8383 118.3397 58.5907 29.8669 178.0520 21 A 4.4756 7.7657 117.9916 51.1410 19.4085 177.0227 22 G 3.7927 8.0501 105.1400 46.7065 0.0000 173.7340 23 L 4.9159 8.0011 117.7278 52.7341 45.0438 176.7738 24 Q 4.3979 9.7112 119.4607 57.7075 29.7164 177.3563 25 F 4.0400 8.5531 115.4315 56.5278 39.7053 173.9890 26 P 4.5119 0.0000 0.0000 62.0799 31.6172 177.1313 27 V 3.7346 8.8028 124.8045 65.9159 31.4951 178.0065 28 G 3.6373 8.0654 104.8847 47.9238 0.0000 175.4889 29 R 3.9250 7.9491 121.1566 58.9696 30.2014 178.4763 30 V 3.6753 7.9987 118.1445 66.1815 31.5593 177.4783 31 H 4.2075 8.4655 117.9950 59.3463 29.7780 177.1602 32 R 3.9165 8.0003 120.4534 59.5470 30.0104 178.4156 33 L 4.1440 8.5105 119.1195 57.8824 41.9256 179.5589 34 L 4.3101 8.1975 118.9705 57.8505 41.3971 179.7363 35 R 3.9510 8.0677 117.7106 58.9063 29.8759 178.8798 36 K 4.0939 8.5673 119.2807 59.0330 32.2906 178.4472 37 G 3.2582 7.9766 103.6931 44.1984 0.0000 172.5666 38 N 4.0789 7.4152 118.9965 54.8076 37.6387 173.5363 39 Y 4.3108 7.5047 114.0836 60.3160 39.0578 176.0988 40 A 4.6005 7.4843 119.3915 50.8440 22.1317 175.5799 41 E 4.1152 8.8825 120.4480 58.5292 29.9034 177.4696 42 R 4.6664 7.7685 115.3181 54.0505 33.4501 174.6943 43 V 4.3224 8.2980 120.9057 60.6592 33.3789 175.7182 44 G 3.8060 8.5029 115.8754 45.1827 0.0000 173.8630 45 A 4.0750 8.5872 123.1004 54.7650 18.8818 180.5546 46 G 3.5334 8.1607 102.3239 47.4785 0.0000 175.2370 47 A 3.9930 7.6047 122.0272 55.0960 18.2692 178.0869 48 P 4.3948 0.0000 0.0000 65.5953 31.3712 178.8491 49 V 3.5522 7.2347 116.0694 66.0512 31.5493 177.2570 50 Y 3.8641 8.2753 119.5039 60.5519 38.6509 177.6563 51 L 3.9864 8.5146 121.3614 58.3305 42.2057 178.6462 52 A 4.0539 8.3813 120.6534 55.2186 18.2081 179.2584 53 A 3.8587 8.0293 119.0938 55.3493 18.3173 180.1198 54 V 3.5032 7.7417 116.4580 66.2309 31.6814 178.1629 55 L 3.8445 7.9384 118.7669 57.7106 41.3060 179.3094 56 E 2.6703 7.8049 119.1257 58.8008 29.4953 177.9908 57 Y 4.0076 7.9530 119.6878 60.8718 38.8905 178.2054 58 L 3.5915 8.0068 119.8399 57.9219 41.6673 179.6602 59 T 3.7852 7.6361 115.3620 66.5312 68.3776 176.4240 60 A 3.9150 7.9703 122.7508 55.0999 18.4008 179.3132 61 E 3.7159 7.9811 117.3725 59.7622 29.5479 179.8584 62 I 3.6706 7.6162 119.4607 64.4247 37.1193 178.6404 63 L 4.1688 8.0841 119.8648 57.4208 41.3860 178.9513 64 E 3.8765 8.2915 119.5790 59.2411 29.5550 178.6283 65 L 3.9428 7.8780 118.4940 58.0063 41.7775 179.6403 66 A 4.2295 8.5538 121.0006 55.0383 18.4022 179.8796 67 G 3.5393 8.3129 104.4210 47.8890 0.0000 175.5573 68 N 4.2762 8.2226 118.6369 56.2013 38.0500 177.1983 69 A 3.9971 8.2016 121.8655 55.2649 18.3357 179.4857 70 A 3.5959 8.0631 119.1699 55.0937 18.3078 180.2116 71 R 3.8138 7.7492 116.0199 59.5278 30.1289 178.7992 72 D 4.5842 8.0420 116.5327 56.1728 41.1610 177.1568 73 N 4.9756 6.9474 111.6367 52.4079 40.5917 174.2327 74 K 3.8893 8.7031 115.9828 57.6795 30.1796 175.4952 75 K 4.6906 8.2846 116.6706 55.0095 34.8159 176.6729 76 T 4.4343 8.3683 110.0279 61.4194 69.5513 174.4086 77 R 4.5018 7.4710 122.1228 54.6920 32.9055 174.1452 78 I 3.9942 8.5463 126.9442 61.2719 37.6358 175.4509 79 I 4.5002 8.2169 118.2902 58.0275 40.3493 174.4753 80 P 4.1936 0.0000 0.0000 65.8830 30.8332 178.5229 81 R 3.8394 8.0013 116.7616 60.1288 29.8199 178.0969 82 H 4.2831 7.9571 115.6003 58.7130 28.5480 177.8410 83 L 4.0015 7.8710 120.4719 57.7223 41.4846 179.1284 84 Q 3.9343 8.2596 119.5401 59.1470 29.0281 178.2597 85 L 3.9329 8.2891 120.0803 57.7371 41.4635 178.9135 86 A 3.9533 8.0997 119.7346 55.6856 18.6289 179.5621 87 I 3.8113 8.0565 117.7719 64.7186 37.0661 179.1313 88 R 4.0363 7.9898 117.4829 58.8145 29.9888 178.0327 89 N 4.7345 8.0379 114.0783 52.8205 39.0383 174.1679 90 D 4.7941 7.3946 121.3280 51.9843 42.6260 175.9374 91 E 3.9427 9.0355 128.1558 59.6853 29.9340 178.7586 92 E 4.0729 8.3114 117.5084 59.1814 29.6503 178.9787 93 L 3.9817 8.0821 118.7454 57.5360 41.4394 178.8669 94 N 4.2563 8.3179 116.7071 56.5395 39.0664 176.5603 95 K 4.0398 7.8539 120.6054 59.4721 32.1644 178.1242 96 L 3.9566 7.7315 119.5399 57.9287 42.2002 178.7736 97 L 4.8099 8.1560 117.9767 54.5610 42.7199 179.1224 98 G 3.6404 7.8769 110.8861 47.9894 0.0000 175.5269 99 K 4.4654 7.9637 117.2449 55.9367 32.3921 175.6933 100 V 4.2856 7.5931 118.9075 61.4375 32.8803 175.1260 101 T 4.4547 8.2967 123.0059 61.8610 70.2268 174.0762 102 I 4.0997 8.1828 127.4188 59.5855 37.6940 175.2358 103 A 4.1772 8.5253 129.1361 53.6302 18.6336 176.6330 104 Q 3.5924 8.7404 119.9384 56.9650 26.3146 175.0600 105 G 3.7025 8.0660 108.5435 45.3619 0.0000 176.6001 106 G 3.8100 7.9759 107.6655 45.5516 0.0000 172.2002 107 V 4.5381 7.9422 112.1817 58.8566 35.4705 175.0733 108 L 4.1181 8.2417 121.1298 53.9032 41.9234 175.7211 109 P 4.2075 0.0000 0.0000 63.0418 31.5386 175.5630 110 N 4.2804 8.2042 116.9944 53.1182 41.3790 173.2634 111 I 4.5222 8.2563 126.6273 58.9831 39.9663 175.6380 112 Q 4.0090 8.6085 123.2671 55.9970 29.3739 177.4676 113 A 3.9869 8.8189 125.7108 55.2754 18.6561 179.6008 114 V 3.6471 7.8420 114.1905 65.7910 31.5598 176.7909 115 L 4.2630 7.8839 117.9183 55.7057 41.9564 176.7668 116 L 4.4733 7.4882 119.3949 52.3002 42.6863 174.8271 117 P 4.2743 0.0000 0.0000 62.8139 31.5421 176.3050 118 K 4.1355 8.5920 119.1740 57.2794 32.4576 176.6250 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 13 K 8.31 4.22 0.00 1.75 1.83 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 14 A 8.50 3.95 1.27 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 0.00 0.00 15 K 8.26 4.14 0.00 1.73 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 16 S 8.58 4.31 0.00 4.10 3.99 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 17 R 8.61 3.95 0.00 1.90 2.06 0.00 3.17 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 18 S 8.07 4.12 0.00 3.89 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 19 S 8.02 4.14 0.00 4.07 3.95 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 0.00 0.00 0.00 20 R 7.84 3.98 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 21 A 7.77 4.48 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 22 G 8.05 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 0.00 0.00 0.00 23 L 8.00 4.92 0.00 1.64 1.76 0.96 1.02 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 24 Q 9.71 4.40 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 25 F 8.55 4.04 0.00 2.96 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 26 P 0.00 4.51 0.00 2.26 2.19 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 27 V 8.80 3.73 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 1.03 0.00 0.00 0.97 0.00 0.00 28 G 8.07 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.95 3.93 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 30 V 8.00 3.68 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 0.99 0.00 0.00 1.04 0.00 0.00 31 H 8.47 4.21 0.00 3.40 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.00 3.92 0.00 2.00 2.07 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 33 L 8.51 4.14 0.00 1.75 1.79 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.20 4.31 0.00 1.98 1.84 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.07 3.95 0.00 2.03 1.99 0.00 3.04 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 36 K 8.57 4.09 0.00 1.95 1.86 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 37 G 7.98 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 0.00 0.00 0.00 38 N 7.42 4.08 0.00 2.62 2.66 0.00 0.00 7.14 7.39 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 39 Y 7.50 4.31 0.00 3.11 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 40 A 7.48 4.60 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 41 E 8.88 4.12 0.00 1.95 2.00 0.00 0.00 0.00 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 2.34 0.00 42 R 7.77 4.67 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.30 4.32 2.23 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 0.85 0.00 0.00 1.02 0.00 0.00 44 G 8.50 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 0.00 0.00 0.00 45 A 8.59 4.07 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 46 G 8.16 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 47 A 7.60 3.99 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 48 P 0.00 4.39 0.00 2.42 2.38 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.59 0.00 49 V 7.23 3.55 2.27 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 1.00 0.00 0.00 0.95 0.00 0.00 50 Y 8.28 3.86 0.00 3.23 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 51 L 8.51 3.99 0.00 1.86 1.76 0.94 0.90 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 52 A 8.38 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.86 1.26 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 0.00 0.00 54 V 7.74 3.50 2.26 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 1.17 0.00 0.00 1.04 0.00 0.00 55 L 7.94 3.84 0.00 1.74 1.59 1.05 0.72 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 56 E 7.80 2.67 0.00 1.58 1.90 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 2.21 2.18 0.00 57 Y 7.95 4.01 0.00 3.04 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 58 L 8.01 3.59 0.00 1.62 1.61 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.64 3.79 4.17 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 1.37 0.00 0.00 60 A 7.97 3.92 1.26 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 0.00 0.00 61 E 7.98 3.72 0.00 1.76 1.81 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 1.47 1.98 0.00 62 I 7.62 3.67 1.83 0.00 0.00 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 1.47 0.64 0.89 0.00 0.00 63 L 8.08 4.17 0.00 1.72 1.71 0.95 0.68 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 64 E 8.29 3.88 0.00 2.04 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 0.00 2.28 2.33 0.00 65 L 7.88 3.94 0.00 1.73 1.70 0.93 0.77 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 A 8.55 4.23 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 67 G 8.31 3.54 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 0.00 68 N 8.22 4.28 0.00 3.05 2.87 0.00 0.00 6.91 7.21 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 69 A 8.20 4.00 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 70 A 8.06 3.60 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 71 R 7.75 3.81 0.00 1.99 1.96 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 72 D 8.04 4.58 0.00 2.74 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 73 N 6.95 4.98 0.00 2.67 2.76 0.00 0.00 6.96 7.49 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 74 K 8.70 3.89 0.00 1.86 1.88 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 75 K 8.28 4.69 0.00 1.80 1.69 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.54 7.81 76 T 8.37 4.43 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 77 R 7.47 4.50 0.00 1.73 1.81 0.00 3.24 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 1.52 1.65 0.00 78 I 8.55 3.99 1.89 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 1.63 0.65 0.95 0.00 0.00 79 I 8.22 4.50 1.83 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 1.13 0.59 0.91 0.00 0.00 80 P 0.00 4.19 0.00 2.33 2.26 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 81 R 8.00 3.84 0.00 1.85 1.78 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 82 H 7.96 4.28 0.00 3.31 3.45 0.00 5.68 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 83 L 7.87 4.00 0.00 1.85 1.72 0.93 0.89 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 84 Q 8.26 3.93 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 85 L 8.29 3.93 0.00 1.86 1.71 0.95 0.88 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 86 A 8.10 3.95 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 87 I 8.06 3.81 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 1.51 0.95 0.91 0.00 0.00 88 R 7.99 4.04 0.00 1.92 1.99 0.00 3.31 0.00 0.00 3.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 89 N 8.04 4.73 0.00 2.86 2.86 0.00 0.00 6.80 8.18 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 90 D 7.39 4.79 0.00 2.84 2.51 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 91 E 9.04 3.94 0.00 2.04 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 2.39 2.36 0.00 92 E 8.31 4.07 0.00 2.07 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 2.40 2.40 0.00 93 L 8.08 3.98 0.00 1.72 1.70 0.88 0.28 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 94 N 8.32 4.26 0.00 2.90 2.88 0.00 0.00 7.19 6.25 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 95 K 7.85 4.04 0.00 1.93 1.93 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.73 3.96 0.00 1.73 1.90 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.16 4.81 0.00 1.79 1.63 0.92 0.78 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 98 G 7.88 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.96 4.47 0.00 1.75 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 100 V 7.59 4.29 2.26 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 0.79 0.00 0.00 0.94 0.00 0.00 101 T 8.30 4.45 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 0.00 102 I 8.18 4.10 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 1.35 1.24 0.91 0.00 0.00 103 A 8.53 4.18 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 0.00 104 Q 8.74 3.59 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 105 G 8.07 3.70 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 0.00 0.00 0.00 106 G 7.98 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 0.00 0.00 0.00 107 V 7.94 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.24 4.12 0.00 1.63 1.61 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.21 0.00 2.04 2.01 0.00 3.71 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 2.03 2.07 0.00 110 N 8.20 4.28 0.00 2.59 2.65 0.00 0.00 7.06 7.94 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 0.00 111 I 8.26 4.52 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 1.41 0.77 0.91 0.00 0.00 112 Q 8.61 4.01 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 113 A 8.82 3.99 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 0.00 114 V 7.84 3.65 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 0.83 0.00 0.00 0.93 0.00 0.00 115 L 7.88 4.26 0.00 1.77 1.70 0.92 0.86 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 0.00 116 L 7.49 4.47 0.00 1.81 1.58 0.92 1.03 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 0.00 117 P 0.00 4.27 0.00 2.17 2.08 0.00 3.77 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 1.99 1.97 0.00 118 K 8.59 4.14 0.00 1.88 1.84 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81