NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5659 8.3049 120.2783 55.3584 33.7713 173.8519 2 R 4.3110 8.2441 118.9410 54.0848 34.0344 173.0477 3 H 5.5289 9.1000 118.5158 55.2178 31.5184 175.0910 4 Y 5.4195 8.0942 118.4836 57.3354 41.2471 173.7688 5 E 4.2873 8.8371 127.1330 56.0610 29.6737 174.4814 6 I 4.9595 8.4767 127.6396 59.0182 40.2903 174.3403 7 V 5.4301 8.6814 127.8414 59.0003 33.0883 174.0136 8 F 5.1247 8.8203 121.7999 55.0000 40.3609 174.2087 9 M 4.3121 8.1754 121.2364 53.8482 33.0360 175.4483 10 V 4.7132 8.4661 122.1913 60.7723 34.8957 174.1052 11 H 4.3042 8.9348 125.4088 56.2016 30.0003 173.0837 12 P 4.3074 0.0000 0.0000 66.4919 31.1404 179.3177 13 D 4.8792 7.6884 118.9908 53.8924 40.4816 176.9720 14 Q 5.1117 8.7583 114.2336 53.8515 31.2895 177.3055 15 S 4.2090 8.4839 117.4202 61.9991 62.6850 176.2523 16 E 4.0111 8.3301 119.4218 59.6763 28.9569 179.0646 17 Q 4.0749 8.5303 119.1302 57.9856 28.8682 178.1389 18 V 3.5640 7.7112 120.1000 65.6531 31.3788 176.2991 19 P 4.3300 0.0000 0.0000 65.7850 31.2194 178.3650 20 G 3.5684 8.0113 105.2564 47.6886 0.0000 175.0208 21 M 3.5625 8.4619 121.7600 57.9535 32.0238 178.5669 22 I 3.6158 7.5298 119.4331 64.7070 37.2820 177.8457 23 E 3.9175 8.2733 119.8300 59.4848 29.3621 179.2452 24 R 3.8711 7.8054 117.7410 59.6184 30.1703 178.2355 25 Y 4.3193 7.7526 116.8437 61.4921 37.8183 178.6418 26 T 3.9449 8.3457 110.1143 65.3420 68.5145 175.6167 27 A 3.9575 7.9305 122.7658 54.9013 18.4576 179.1707 28 A 3.9398 7.9123 118.0456 55.5742 18.4585 179.4689 29 I 3.6122 7.8584 117.9298 65.3349 37.2232 178.6553 30 T 4.1544 8.4526 116.4909 66.6541 68.0722 176.7793 31 G 3.7489 8.2620 107.0676 47.6228 0.0000 174.5382 32 A 4.4781 7.6949 120.9243 51.7930 19.3116 177.1009 33 E 3.7828 8.1609 117.6467 58.8444 27.4439 175.3570 34 G 3.9615 8.1119 105.5052 46.1162 0.0000 173.9964 35 K 4.7073 8.4044 119.8476 54.3939 35.2822 175.3486 36 I 4.5287 8.4557 126.2302 60.4287 38.1548 175.4312 37 H 4.7974 8.1216 124.2631 55.3226 29.3856 174.3573 38 R 4.3691 7.1599 117.4643 56.2047 32.3282 173.8440 39 L 4.5748 8.0167 117.4570 54.9837 43.2175 173.7492 40 E 4.4615 8.4569 127.8916 57.8493 32.0551 176.0288 41 D 5.2002 7.9227 113.2810 54.9267 42.1886 177.8183 42 W 4.1440 9.1001 118.6776 56.4430 29.6470 178.1088 43 G 3.7577 8.2607 108.3032 45.5278 0.0000 172.6795 44 R 5.0738 8.1645 117.8435 56.3876 29.0484 176.5667 45 R 4.7662 8.3185 125.4560 53.8618 33.1126 174.6738 46 Q 4.3845 8.6984 125.1518 56.3598 29.9213 175.0312 47 L 4.3214 8.1987 124.9690 53.0243 43.0384 175.9219 48 A 3.8752 8.9146 126.3971 54.0040 18.9494 176.7502 49 Y 4.6937 7.2139 114.9126 54.2099 40.6349 175.4052 50 P 4.4819 0.0000 0.0000 62.0656 28.9927 175.2297 51 I 3.7324 7.2516 120.5082 62.7635 37.8357 174.7595 52 N 3.9971 9.3847 129.1041 54.4362 36.9850 174.0184 53 K 3.8430 7.9660 117.7294 56.8744 31.8788 175.9193 54 L 3.5229 8.2598 112.5409 56.5789 38.3337 175.6910 55 H 4.8265 7.5419 120.1448 54.6994 28.7380 175.7140 56 K 5.0398 8.6018 118.0058 56.4475 36.5779 175.6106 57 A 4.6196 8.7663 125.0959 50.5802 23.6840 173.6881 58 H 5.2848 8.5021 116.8557 53.8927 30.9711 173.0855 59 Y 4.5477 8.6686 123.7182 57.6952 40.2111 174.7649 60 V 4.6559 7.6667 108.0332 60.8403 36.5946 172.7648 61 L 4.9885 8.6123 122.0359 53.1454 44.5816 174.6283 62 M 4.7123 8.6537 117.6073 52.0616 34.6816 175.3920 63 N 4.6571 8.1102 113.5984 53.7045 36.8743 174.4888 64 V 4.2503 7.4488 117.9644 62.4539 34.2127 173.8935 65 E 5.5792 9.0147 115.1739 54.1925 29.3070 174.2743 66 A 4.7507 7.6547 122.6337 49.2964 22.4014 175.1205 67 P 4.5044 0.0000 0.0000 62.3770 32.3574 177.4630 68 Q 3.9067 9.0650 120.0141 59.7350 27.7416 179.0781 69 E 3.8794 8.1934 119.6784 59.4388 29.9240 178.9782 70 V 3.8838 7.7370 112.1036 64.5072 31.6279 178.4072 71 I 3.5831 7.8195 112.3526 64.2890 36.4098 177.3389 72 D 4.7469 7.7701 120.2461 56.8152 40.9128 178.1271 73 E 3.9434 7.8802 117.3754 58.6509 29.6300 178.6303 74 L 3.8913 7.3138 121.1324 56.7102 42.5381 177.9088 75 E 4.1516 8.8205 119.9486 59.7637 29.3288 179.6480 76 T 3.9462 7.5278 109.0684 64.5196 68.8028 176.8315 77 T 3.8212 7.4337 112.7472 64.8205 68.1065 176.0570 78 F 4.2761 7.4728 118.7530 60.5334 39.0786 177.4641 79 R 4.0502 8.0102 116.4352 57.8473 31.0298 177.5809 80 F 5.2533 7.1858 118.2312 55.2987 38.4107 177.4389 81 N 4.8366 7.7919 116.0667 52.6902 40.8610 173.9248 82 D 4.4260 8.5576 122.0172 56.9928 41.8970 178.2914 83 A 4.1500 7.9951 120.9844 54.9671 18.4390 177.9720 84 V 4.6112 8.0273 113.7515 60.9173 33.8438 176.8313 85 I 4.5001 7.6573 121.5492 60.7941 36.8973 177.4092 86 R 3.9860 8.6363 126.8930 58.3046 30.8008 174.9163 87 S 4.6457 8.5341 116.9794 56.6838 64.8962 172.3490 88 M 4.9283 7.9815 124.6671 53.8477 36.2740 174.6336 89 V 4.5614 7.9375 116.2624 61.6253 33.5462 172.4332 90 M 4.5916 8.7486 126.6119 53.8768 34.4660 175.5437 91 R 4.2731 8.1219 116.5172 57.2401 31.4670 175.8828 92 T 3.8107 8.6778 112.5731 62.0006 68.4144 174.3342 93 K 3.8831 8.9360 120.8012 57.7553 30.2485 171.3858 94 H 4.1290 7.2671 124.4407 55.5864 28.5612 174.2915 95 A 3.4942 7.8011 127.3340 51.5289 17.4225 176.7870 96 V 4.0289 8.0360 122.1120 63.4414 32.6104 175.3040 97 T 4.8680 8.3157 119.8511 61.7019 72.9032 174.6160 98 E 3.1369 9.4522 117.6881 58.2307 31.5453 174.8887 99 A 3.4997 9.1052 124.4821 53.0050 17.9720 177.7119 100 S 4.2171 8.5088 112.4176 59.3901 62.7237 171.3076 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 8.30 4.57 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 2 R 8.24 4.31 0.00 1.34 1.43 0.00 3.11 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 3 H 9.10 5.53 0.00 3.06 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.09 5.42 0.00 2.93 2.83 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 5 E 8.84 4.29 0.00 1.98 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 0.00 2.37 2.51 0.00 6 I 8.48 4.96 1.90 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 1.50 1.37 1.12 0.00 0.00 7 V 8.68 5.43 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 0.79 0.00 0.00 1.00 0.00 0.00 8 F 8.82 5.12 0.00 2.90 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 9 M 8.18 4.31 0.00 0.51 1.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 10 V 8.47 4.71 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 1.02 0.00 0.00 1.01 0.00 0.00 11 H 8.93 4.30 0.00 3.26 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.31 0.00 2.16 2.33 0.00 3.15 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 1.62 1.79 0.00 13 D 7.69 4.88 0.00 2.83 2.78 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 14 Q 8.76 5.11 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 15 S 8.48 4.21 0.00 3.90 4.03 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 16 E 8.33 4.01 0.00 2.16 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 0.00 2.38 2.37 0.00 17 Q 8.53 4.07 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 18 V 7.71 3.56 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 0.86 0.00 0.00 0.70 0.00 0.00 19 P 0.00 4.33 0.00 2.29 2.29 0.00 3.74 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 2.15 2.03 0.00 20 G 8.01 3.57 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 0.00 0.00 0.00 21 M 8.46 3.56 0.00 1.93 2.28 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.68 0.00 22 I 7.53 3.62 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.20 1.00 0.00 0.00 23 E 8.27 3.92 0.00 2.03 2.10 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 2.29 2.36 0.00 24 R 7.81 3.87 0.00 1.99 1.95 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 25 Y 7.75 4.32 0.00 3.12 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 26 T 8.35 3.94 4.29 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 1.30 0.00 0.00 27 A 7.93 3.96 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 0.00 0.00 28 A 7.91 3.94 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 29 I 7.86 3.61 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.96 0.00 0.00 30 T 8.45 4.15 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 31 G 8.26 3.75 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 0.00 0.00 0.00 32 A 7.69 4.48 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 33 E 8.16 3.78 0.00 2.16 2.10 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 2.24 2.40 0.00 34 G 8.11 3.96 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 0.00 0.00 0.00 35 K 8.40 4.71 0.00 1.83 1.63 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 36 I 8.46 4.53 1.90 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 1.40 0.44 1.03 0.00 0.00 37 H 8.12 4.80 0.00 3.50 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.16 4.37 0.00 1.75 1.81 0.00 3.52 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 39 L 8.02 4.57 0.00 1.65 1.57 1.06 1.12 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 40 E 8.46 4.46 0.00 2.17 1.85 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 2.35 2.36 0.00 41 D 7.92 5.20 0.00 2.79 2.55 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 42 W 9.10 4.14 0.00 3.32 3.30 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 43 G 8.26 3.76 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 0.00 0.00 0.00 44 R 8.16 5.07 0.00 1.73 1.86 0.00 3.01 0.00 0.00 3.78 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 45 R 8.32 4.77 0.00 2.26 1.98 0.00 3.44 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 46 Q 8.70 4.38 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 47 L 8.20 4.32 0.00 1.50 1.36 0.82 0.92 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 48 A 8.91 3.88 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 49 Y 7.21 4.69 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 50 P 0.00 4.48 0.00 2.25 2.17 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 51 I 7.25 3.73 1.52 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.73 0.00 0.00 52 N 9.38 4.00 0.00 2.87 2.82 0.00 0.00 7.27 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 53 K 7.97 3.84 0.00 1.97 1.88 0.00 1.99 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.41 7.81 54 L 8.26 3.52 0.00 1.71 1.54 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.54 4.83 0.00 3.19 3.48 0.00 5.45 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.60 5.04 0.00 1.48 1.67 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.39 7.81 57 A 8.77 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.50 5.28 0.00 3.15 3.04 0.00 5.64 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.67 4.55 0.00 3.04 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 60 V 7.67 4.66 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 0.76 0.00 0.00 -0.27 0.00 0.00 61 L 8.61 4.99 0.00 1.76 1.71 1.20 1.35 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 62 M 8.65 4.71 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 63 N 8.11 4.66 0.00 3.06 2.94 0.00 0.00 7.27 7.68 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 64 V 7.45 4.25 2.19 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 1.09 0.00 0.00 1.04 0.00 0.00 65 E 9.01 5.58 0.00 2.05 1.82 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 2.17 2.15 0.00 66 A 7.65 4.75 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 67 P 0.00 4.50 0.00 2.26 2.22 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 68 Q 9.07 3.91 0.00 2.26 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 69 E 8.19 3.88 0.00 1.98 2.04 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 2.28 2.41 0.00 70 V 7.74 3.88 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 0.85 0.00 0.00 1.00 0.00 0.00 71 I 7.82 3.58 1.58 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.79 0.00 0.00 72 D 7.77 4.75 0.00 2.83 2.94 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 0.00 0.00 0.00 0.00 73 E 7.88 3.94 0.00 1.96 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 0.00 2.30 2.50 0.00 74 L 7.31 3.89 0.00 1.49 1.60 -0.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.82 4.15 0.00 2.05 2.01 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 2.33 2.50 0.00 76 T 7.53 3.95 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 1.21 0.00 0.00 77 T 7.43 3.82 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 1.09 0.00 0.00 78 F 7.47 4.28 0.00 2.97 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 79 R 8.01 4.05 0.00 1.67 1.71 0.00 3.23 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 80 F 7.19 5.25 0.00 2.96 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 81 N 7.79 4.84 0.00 2.87 2.74 0.00 0.00 7.02 8.49 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 82 D 8.56 4.43 0.00 2.71 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 83 A 8.00 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.61 2.38 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 1.00 0.00 0.00 1.26 0.00 0.00 85 I 7.66 4.50 1.81 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 1.31 0.65 0.91 0.00 0.00 86 R 8.64 3.99 0.00 1.74 1.89 0.00 3.13 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 87 S 8.53 4.65 0.00 3.48 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.98 4.93 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 89 V 7.94 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 0.63 0.00 0.00 0.93 0.00 0.00 90 M 8.75 4.59 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 91 R 8.12 4.27 0.00 1.87 2.18 0.00 2.95 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 92 T 8.68 3.81 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 1.36 0.00 0.00 93 K 8.94 3.88 0.00 1.92 1.92 0.00 1.85 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 1.34 1.45 7.81 94 H 7.27 4.13 0.00 3.47 3.34 0.00 5.71 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 95 A 7.80 3.49 0.93 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 0.00 0.00 96 V 8.04 4.03 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 0.86 0.00 0.00 1.01 0.00 0.00 97 T 8.32 4.87 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 1.32 0.00 0.00 98 E 9.45 3.14 0.00 2.14 2.17 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 2.20 2.23 0.00 99 A 9.11 3.50 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 0.00 100 S 8.51 4.22 0.00 4.09 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