NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2876 8.3101 120.1345 55.9623 34.3748 173.5257 14 A 3.8140 8.9564 127.6560 52.2962 17.5093 176.4408 15 K 4.6588 8.4330 114.9279 52.7740 36.7895 175.4735 16 T 3.9646 8.3594 113.5016 62.1660 70.3310 175.4958 17 R 3.9699 8.7744 122.5954 59.5681 29.9676 179.3198 18 S 4.1534 8.1394 114.7304 61.8457 62.4441 176.8331 19 S 3.9596 7.7079 115.3014 61.2978 62.5821 176.5517 20 R 3.9194 7.9850 120.9643 58.7306 29.9067 178.0143 21 A 4.4184 7.9034 118.2822 51.8459 19.2181 177.6300 22 G 3.8194 7.7359 104.4224 46.1020 0.0000 173.3108 23 L 4.8248 8.2884 118.9220 52.6858 44.1849 177.1383 24 Q 4.3134 9.1448 120.7220 56.8865 29.1805 176.0658 25 F 4.6722 8.0374 116.9215 55.0845 41.0895 174.9567 26 P 4.4983 0.0000 0.0000 62.0478 30.7399 177.2227 27 V 3.7196 8.6499 125.2195 66.2555 31.5531 177.4254 28 G 3.8240 8.2049 104.9186 48.0558 0.0000 174.8750 29 R 3.9015 8.0737 121.1709 59.1330 29.9995 178.3143 30 V 3.6213 7.8754 117.6175 66.3028 31.3770 177.2578 31 H 4.1460 8.5550 118.1580 59.4002 29.7101 177.0949 32 R 3.9200 8.2792 120.4945 59.6010 30.0950 178.5437 33 L 4.1407 8.5880 118.9385 57.6583 41.0768 179.5139 34 L 4.3746 8.2719 119.2955 57.5493 41.5736 179.7387 35 R 3.9750 7.9324 118.6069 59.1241 30.0065 178.9165 36 K 4.1772 8.0257 115.3148 58.4765 32.7486 177.6655 37 G 3.4196 7.6336 107.0759 45.0612 0.0000 173.2005 38 N 4.0692 7.4052 116.0363 54.4068 36.6325 174.6062 39 Y 4.3333 7.2773 111.9688 60.2015 39.0176 176.3435 40 A 4.5196 7.6096 118.6647 50.9518 22.0110 175.4658 41 E 4.0991 9.1084 121.0912 58.8916 29.6480 177.5689 42 R 4.7404 7.7229 114.3928 54.1493 33.4071 175.2557 43 V 4.3271 8.1547 118.9603 60.8274 33.7808 175.7474 44 G 3.7696 8.5655 116.0280 45.0500 0.0000 173.7836 45 A 4.0735 8.7190 124.4545 55.0306 18.9475 180.1413 46 G 3.7768 8.2963 102.0711 47.8215 0.0000 175.3201 47 A 4.0463 7.6139 122.4188 54.5825 18.3488 178.0777 48 P 4.4495 0.0000 0.0000 65.6993 31.2539 178.9040 49 V 3.5481 7.7129 117.7955 66.0130 31.6583 176.8588 50 Y 3.8736 8.1032 119.3612 60.7729 38.5704 178.0723 51 L 4.0075 8.6709 120.9792 58.2002 42.2633 178.4876 52 A 4.0873 8.4581 120.9289 55.3569 18.1785 179.5627 53 A 3.8441 8.0355 119.0235 55.2167 18.5129 179.7791 54 V 3.5953 7.8857 116.8220 66.4661 31.5515 178.3041 55 L 3.9620 8.0697 118.5031 57.4866 41.3121 179.1423 56 E 2.7990 7.7731 119.2727 58.9268 29.4904 177.9924 57 Y 4.0715 8.0870 119.8721 60.9572 38.8516 178.2881 58 L 3.5891 7.9012 119.5636 57.8874 41.5857 179.6056 59 T 3.7850 7.8180 115.4350 66.5228 68.3646 176.4612 60 A 3.8836 7.9434 122.8104 55.0058 18.4348 179.0184 61 E 3.6720 7.8125 117.9502 59.5519 29.5629 179.2848 62 I 3.6134 7.4941 119.3501 64.4901 37.2622 178.4023 63 L 3.9856 8.1102 120.0988 57.6925 41.4259 179.2075 64 E 3.8861 8.7631 119.5304 59.4133 29.6267 178.8163 65 L 4.1480 7.9501 117.8882 56.7132 41.6962 178.9156 66 A 4.2463 8.0361 121.2661 54.3063 18.7278 179.3474 67 G 3.6754 8.4843 104.7361 48.3325 0.0000 175.1604 68 N 4.2377 8.0959 119.1701 56.0674 38.5398 177.3890 69 A 3.9921 7.9726 121.4589 54.9399 18.3260 179.6273 70 A 3.5496 8.1866 119.8825 55.3855 18.2292 179.2415 71 R 3.7780 8.4358 117.5791 59.4301 29.8228 178.1062 72 D 4.8655 8.1702 119.0047 57.7879 41.0970 179.4912 73 N 4.5903 7.6111 112.2241 52.6480 39.1872 175.4964 74 K 3.8644 8.9773 118.6634 57.2394 29.9512 174.6167 75 K 4.7251 8.4232 116.0450 55.3545 36.6109 177.0263 76 T 4.4951 8.4167 107.8946 61.0568 69.9147 173.6742 77 R 4.5291 7.7194 122.4293 54.3304 32.2630 174.6640 78 I 4.0405 8.4570 126.8664 61.0446 37.7616 175.2562 79 I 4.6129 8.2713 117.6784 57.7777 40.5487 174.4608 80 P 4.1755 0.0000 0.0000 65.6927 30.8885 178.6080 81 R 3.8258 8.0046 117.0706 60.1157 29.8484 178.1087 82 H 4.3495 8.2392 115.9046 58.6662 28.6155 177.8538 83 L 4.0347 7.8694 120.6254 57.5193 41.5332 178.9224 84 Q 3.9223 8.3293 119.7834 59.2280 29.0694 178.1273 85 L 3.9347 8.0185 119.6246 57.9014 41.5114 179.4460 86 A 3.9700 7.7973 118.9440 55.2067 18.6317 179.6939 87 V 3.6594 7.9219 116.5742 66.4007 31.5496 178.6228 88 R 4.0457 8.3251 116.2566 58.7392 29.9570 178.0528 89 N 4.7142 8.0734 114.5704 53.0226 39.0488 174.1279 90 D 4.8104 7.4973 121.5629 52.0140 42.4730 175.9778 91 E 3.9424 8.9734 127.7821 59.4950 29.3815 178.5782 92 E 4.0770 8.1744 117.6046 59.0634 30.0449 178.5500 93 L 3.9528 8.1805 118.9099 57.9534 41.5001 178.8462 94 N 4.2381 7.9010 115.5261 56.8153 39.0057 176.4885 95 K 4.0504 7.8144 120.3377 59.5808 32.2185 178.3513 96 L 4.0960 7.7068 119.1491 57.3767 42.0740 177.4912 97 L 4.7321 8.3559 118.1499 54.0659 42.2574 178.5901 98 G 3.8133 8.3382 111.4670 48.3215 0.0000 175.4726 99 R 4.6161 7.8379 116.9929 55.6395 30.8497 175.5216 100 V 4.4141 7.5844 116.8268 61.2129 33.7797 174.7515 101 T 4.5000 8.2895 122.2153 61.6877 70.2930 173.8735 102 I 4.0166 8.3162 127.7951 60.0627 37.5199 175.9181 103 A 4.0962 8.4920 128.5811 53.2219 18.8464 176.6116 104 Q 3.9206 8.6022 116.9173 56.9512 26.4891 175.2016 105 G 3.8298 7.6268 107.0225 44.5745 0.0000 176.8568 106 G 3.7893 8.0265 107.7995 45.8638 0.0000 172.7542 107 V 4.5612 7.9516 113.1689 58.9424 35.7064 175.2027 108 L 4.0907 8.3120 121.5718 53.9828 41.9759 175.7543 109 P 4.2535 0.0000 0.0000 62.9739 31.6451 175.6181 110 N 4.7502 8.3951 120.6933 52.6148 41.7047 173.3189 111 I 4.5157 8.1700 125.9139 59.0854 40.2391 175.2922 112 Q 4.0546 8.7913 124.5647 56.2395 29.3915 178.1821 113 S 4.1354 8.8582 117.2039 61.3436 63.1544 176.6922 114 V 3.7659 7.7425 118.7110 63.4064 31.1379 176.5196 115 L 4.3258 7.6981 119.5540 55.4574 42.0718 177.1951 116 L 4.1887 7.5955 119.1201 53.5275 42.1325 175.2265 117 P 4.1930 0.0000 0.0000 63.8144 31.9191 176.6503 118 K 4.1875 8.6060 119.2732 57.5210 33.6121 175.3037 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 4.29 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 A 8.96 3.81 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 15 K 8.43 4.66 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.33 7.81 16 T 8.36 3.96 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 1.22 0.00 0.00 17 R 8.77 3.97 0.00 1.90 2.07 0.00 3.18 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 18 S 8.14 4.15 0.00 3.89 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 0.00 19 S 7.71 3.96 0.00 4.10 4.13 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 20 R 7.98 3.92 0.00 1.98 2.05 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 21 A 7.90 4.42 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 22 G 7.74 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 0.00 0.00 0.00 23 L 8.29 4.82 0.00 1.62 1.73 0.93 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 24 Q 9.14 4.31 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 25 F 8.04 4.67 0.00 3.04 3.02 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 26 P 0.00 4.50 0.00 2.25 2.18 0.00 3.57 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 27 V 8.65 3.72 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 1.14 0.00 0.00 1.07 0.00 0.00 28 G 8.20 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 0.00 0.00 0.00 29 R 8.07 3.90 0.00 1.89 2.16 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 30 V 7.88 3.62 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 0.98 0.00 0.00 1.09 0.00 0.00 31 H 8.56 4.15 0.00 3.36 3.43 0.00 5.64 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 8.28 3.92 0.00 1.92 2.11 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 33 L 8.59 4.14 0.00 1.89 1.80 0.96 0.68 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 34 L 8.27 4.37 0.00 1.96 1.82 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.93 3.97 0.00 1.98 2.00 0.00 3.11 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 1.73 1.98 0.00 36 K 8.03 4.18 0.00 1.88 1.95 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 37 G 7.63 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.41 4.07 0.00 2.64 2.76 0.00 0.00 6.92 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 39 Y 7.28 4.33 0.00 3.06 2.98 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 40 A 7.61 4.52 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 41 E 9.11 4.10 0.00 1.95 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 2.31 2.36 0.00 42 R 7.72 4.74 0.00 1.81 1.80 0.00 3.21 0.00 0.00 3.16 7.37 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 8.15 4.33 2.18 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 0.79 0.00 0.00 1.00 0.00 0.00 44 G 8.57 3.77 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 0.00 0.00 0.00 45 A 8.72 4.07 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 46 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 47 A 7.61 4.05 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 48 P 0.00 4.45 0.00 2.29 2.37 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.65 0.00 49 V 7.71 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 1.02 0.00 0.00 0.95 0.00 0.00 50 Y 8.10 3.87 0.00 3.11 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 8.67 4.01 0.00 1.85 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.46 4.09 1.50 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 0.00 0.00 53 A 8.04 3.84 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 54 V 7.89 3.60 2.31 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 1.10 0.00 0.00 1.18 0.00 0.00 55 L 8.07 3.96 0.00 1.85 1.68 1.04 0.72 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 56 E 7.77 2.80 0.00 1.61 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 57 Y 8.09 4.07 0.00 3.01 3.10 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 58 L 7.90 3.59 0.00 1.68 1.62 0.99 0.55 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 7.82 3.79 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 1.31 0.00 0.00 60 A 7.94 3.88 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 7.81 3.67 0.00 1.43 1.79 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 2.13 2.28 0.00 62 I 7.49 3.61 1.83 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 1.45 0.51 0.89 0.00 0.00 63 L 8.11 3.99 0.00 1.82 1.72 0.95 1.00 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 64 E 8.76 3.89 0.00 2.02 2.18 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 2.28 2.38 0.00 65 L 7.95 4.15 0.00 1.73 1.68 0.97 0.93 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 66 A 8.04 4.25 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 67 G 8.48 3.68 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 0.00 0.00 0.00 68 N 8.10 4.24 0.00 2.93 2.90 0.00 0.00 7.03 7.07 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 69 A 7.97 3.99 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 70 A 8.19 3.55 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 71 R 8.44 3.78 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.16 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 72 D 8.17 4.87 0.00 2.68 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 7.61 4.59 0.00 2.67 2.87 0.00 0.00 7.22 7.66 0.00 0.00 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 8.98 3.86 0.00 1.74 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 75 K 8.42 4.73 0.00 1.73 1.65 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.56 7.81 76 T 8.42 4.50 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 1.20 0.00 0.00 77 R 7.72 4.53 0.00 1.75 1.83 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 1.50 1.61 0.00 78 I 8.46 4.04 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 1.47 0.64 0.95 0.00 0.00 79 I 8.27 4.61 1.84 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 1.20 0.97 0.93 0.00 0.00 80 P 0.00 4.18 0.00 2.34 2.25 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 3.83 0.00 1.83 1.74 0.00 3.23 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 82 H 8.24 4.35 0.00 3.31 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.94 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 4.03 0.00 1.82 1.71 0.93 0.96 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 84 Q 8.33 3.92 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 85 L 8.02 3.93 0.00 1.75 1.73 0.95 0.73 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 86 A 7.80 3.97 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 87 V 7.92 3.66 2.22 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 1.02 0.00 0.00 0.95 0.00 0.00 88 R 8.33 4.05 0.00 1.81 1.98 0.00 3.37 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 89 N 8.07 4.71 0.00 2.89 2.86 0.00 0.00 6.77 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.50 4.81 0.00 2.84 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 91 E 8.97 3.94 0.00 2.07 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 2.43 0.00 92 E 8.17 4.08 0.00 2.19 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 2.39 2.40 0.00 93 L 8.18 3.95 0.00 1.69 1.71 0.89 0.38 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 94 N 7.90 4.24 0.00 2.94 3.09 0.00 0.00 7.25 6.38 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 95 K 7.81 4.05 0.00 1.86 1.92 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 L 7.71 4.10 0.00 1.67 1.91 0.93 0.91 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 97 L 8.36 4.73 0.00 1.73 1.61 0.92 0.86 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 98 G 8.34 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 99 R 7.84 4.62 0.00 1.78 1.92 0.00 3.33 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 100 V 7.58 4.41 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 0.80 0.00 0.00 0.94 0.00 0.00 101 T 8.29 4.50 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 8.32 4.02 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 0.48 0.91 0.00 0.00 103 A 8.49 4.10 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 0.00 104 Q 8.60 3.92 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 105 G 7.63 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.03 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 0.00 107 V 7.95 4.56 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 8.31 4.09 0.00 1.63 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.25 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 110 N 8.40 4.75 0.00 2.63 2.65 0.00 0.00 6.98 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 8.17 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 0.79 0.91 0.00 0.00 112 Q 8.79 4.05 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 113 S 8.86 4.14 0.00 4.00 4.12 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 0.00 0.00 0.00 0.00 114 V 7.74 3.77 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 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.70 4.33 0.00 1.74 1.75 0.92 0.83 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 0.00 116 L 7.60 4.19 0.00 1.77 1.60 0.92 0.89 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 0.00 117 P 0.00 4.19 0.00 2.03 2.00 0.00 3.82 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 2.03 2.09 0.00 118 K 8.61 4.19 0.00 2.02 1.86 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81