NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2558 0.0000 0.0000 61.9371 32.4205 175.3442 3 K 3.6194 8.7325 122.6950 55.5039 31.7776 174.6250 4 K 3.9737 8.8123 125.8295 57.0854 34.0957 174.9795 5 V 5.1412 8.1601 123.4409 61.5709 35.1328 174.2083 6 L 4.7627 8.8203 124.3319 53.3965 46.5044 174.8754 7 T 5.4283 7.8711 112.9735 59.5940 70.3761 173.9932 8 G 4.3081 8.2103 112.1040 44.5263 0.0000 171.7641 9 V 4.6247 8.1906 121.0825 60.7719 33.3576 176.1096 10 V 4.3384 9.2549 124.7810 61.9972 32.4366 176.7345 11 V 4.6162 9.1233 120.8759 60.9391 33.5199 174.9195 12 S 4.7512 7.4774 112.8185 58.2370 65.4795 175.8620 13 D 4.9768 8.4583 123.7285 52.7793 40.4599 177.2137 14 K 4.1751 7.6527 118.9694 58.4321 32.1250 176.7898 15 M 4.3778 7.4880 118.5329 53.9827 31.8335 176.5089 16 Q 4.0847 8.4261 120.5858 56.3287 28.2038 176.2936 17 K 4.2073 9.0061 121.3385 57.1508 29.5643 175.5964 18 T 5.2775 7.3260 113.5125 62.1351 72.5483 173.8981 19 V 4.7464 8.6689 115.8174 60.3100 36.6939 174.3058 20 T 4.7384 8.8770 121.9381 62.7075 69.7717 173.8484 21 V 4.8427 8.9009 127.2366 60.8828 34.5680 173.7407 22 L 5.0375 8.8403 130.2749 53.4068 44.1857 175.2967 23 V 4.2700 8.5259 125.1837 60.9112 34.2211 173.9365 24 E 4.6109 8.8299 128.4931 56.3912 30.2392 177.3368 25 R 4.6976 8.6019 121.7526 55.0644 32.5362 174.6719 26 Q 5.2136 8.1507 116.1399 54.8416 31.8399 173.4090 27 F 4.7546 8.3823 114.5879 56.3557 41.5257 170.4460 28 P 4.7675 0.0000 0.0000 61.1566 33.0000 174.9003 29 H 4.0763 8.5327 122.8319 55.7050 30.0234 174.4882 30 P 3.8790 0.0000 0.0000 64.9949 31.3753 176.4861 31 L 4.4900 7.9207 115.8590 54.1868 43.5323 175.9525 32 Y 4.6449 7.8570 112.6189 56.7150 39.4031 175.0215 33 G 4.0041 8.2916 113.0962 46.2046 0.0000 173.2484 34 K 4.6609 7.0861 121.6262 51.6164 32.5031 175.1911 35 V 3.7577 8.5345 128.5879 63.7553 31.9253 175.1529 36 I 4.5004 9.1359 121.6655 59.0653 40.9397 174.3583 37 K 5.1974 8.4470 121.1577 54.7835 35.0394 175.6741 38 R 5.0052 8.7055 122.8766 55.0729 34.3910 173.3784 39 S 5.1781 8.3713 114.5478 57.1945 66.0289 173.2700 40 K 4.6535 8.5678 120.8755 54.7918 35.9258 174.9459 41 K 4.9688 8.4530 124.4169 55.5040 33.7072 175.5481 42 Y 4.4813 9.6582 122.1409 56.2338 41.9499 175.1785 43 L 4.8517 8.5646 123.0191 53.5773 42.2002 175.6243 44 A 4.9285 8.9182 126.2407 51.5418 20.5299 175.4848 45 H 5.1129 8.6883 119.2409 55.1206 32.1576 174.4308 46 D 5.1610 8.4408 122.6696 52.5342 41.4402 173.9420 47 P 4.0625 0.0000 0.0000 64.7125 32.1467 177.7834 48 E 4.3236 8.0730 116.4390 55.5951 29.8803 175.9459 49 E 3.9384 8.7404 118.0244 56.9231 27.9692 176.9021 50 K 3.9276 7.6721 116.4546 60.0194 33.2298 177.1054 51 Y 4.2247 7.4910 118.8903 57.1423 38.1739 176.3894 52 K 4.5267 8.6212 124.6469 54.6185 35.2422 175.5520 53 L 4.0233 8.1848 119.9443 56.3792 41.0194 178.0779 54 G 4.0540 8.4149 108.0256 45.8033 0.0000 173.4725 55 D 4.8498 7.7196 120.5141 54.2283 42.0479 175.3385 56 V 4.6005 8.0378 121.0534 61.4226 33.6558 175.0098 57 V 4.6045 8.4038 119.8852 59.5764 36.2093 174.3749 58 E 4.7398 8.5436 123.0121 56.0110 31.0593 175.7006 59 I 5.0720 8.7674 124.4276 59.4390 41.0494 174.1287 60 I 4.9393 8.6695 126.7928 58.6355 40.7388 174.2250 61 E 3.1655 8.6253 130.1155 57.1025 29.8907 176.0190 62 S 4.6073 8.2376 121.3706 56.7770 67.9034 173.7277 63 R 3.8722 8.4245 121.0410 55.6967 30.2303 174.2387 64 P 4.4575 0.0000 0.0000 63.2181 31.6172 176.1221 65 I 4.0863 8.3392 124.9427 63.0430 37.9433 175.4783 66 S 4.5254 7.4753 111.5633 57.2061 65.1758 173.4029 67 K 3.9636 8.8482 120.5893 59.3414 31.6306 177.5841 68 R 4.4759 7.8989 113.1940 55.5392 31.8064 175.4128 69 K 5.1176 7.7182 118.2502 54.7072 32.4255 176.6217 70 R 4.9468 8.5977 124.6404 55.5677 32.3040 174.8580 71 F 5.8602 8.2914 115.1100 55.8729 43.9562 173.8218 72 R 5.0421 8.4908 118.5012 54.1408 34.6447 174.7628 73 V 3.6915 8.0808 122.5240 63.3397 31.4441 175.2966 74 L 4.4198 9.6544 133.2116 56.3436 42.0607 176.2700 75 R 4.8523 7.2220 112.6043 55.4733 32.6352 173.2813 76 L 4.5644 8.7054 122.7108 55.7517 42.6010 176.4451 77 V 4.5958 8.2225 118.1191 61.6811 34.6626 175.1241 78 E 5.3546 7.8005 120.0165 55.7389 32.6652 175.6656 79 S 4.2277 9.4452 119.2033 58.7002 61.1477 175.1053 80 G 3.9008 9.3063 114.0509 46.3657 0.0000 174.5055 81 R 4.7283 8.0753 129.8406 53.9374 31.6157 177.4097 82 M 4.1175 8.0510 119.6704 58.1601 31.9232 177.9158 83 D 3.8321 8.2699 119.0789 56.4057 39.0805 178.7518 84 L 4.1152 7.6695 120.4308 57.5014 41.8792 179.2722 85 V 3.7501 7.7938 117.6792 65.9852 31.3951 177.0263 86 E 3.8686 9.0991 119.2531 59.8524 29.2342 179.2869 87 K 3.8361 7.9375 116.5052 60.1671 32.3588 178.8017 88 Y 4.2063 8.0522 119.1936 60.5646 38.3317 178.4227 89 L 3.6151 7.7865 119.2831 57.5542 42.1676 178.6903 90 I 3.7059 7.7314 119.9155 64.5505 36.9563 177.8981 91 R 3.6487 8.0110 119.3126 59.7760 29.6755 178.2993 92 R 3.6693 7.0897 113.5942 57.5573 30.3193 177.6421 93 Q 4.4253 7.9544 118.4779 56.8440 30.2372 177.3485 94 N 4.4743 7.6322 117.3229 55.7929 38.7320 176.8653 95 Y 4.4243 7.6517 118.2547 61.3095 38.1527 178.1279 96 Q 3.7406 7.5088 118.5283 58.5719 29.5591 177.6962 97 S 4.7788 7.3734 113.5265 56.1919 61.8034 172.6420 98 L 4.6795 7.5108 120.3712 56.6097 48.9875 177.3618 99 S 4.4528 7.0989 110.6268 58.2977 63.0292 174.4747 100 K 4.1574 8.2676 118.9818 57.3079 32.9492 176.0636 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 P 0.00 4.26 0.00 2.19 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.73 3.62 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 8.81 3.97 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.58 7.81 5 V 8.16 5.14 2.07 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 0.92 0.00 0.00 0.98 0.00 0.00 6 L 8.82 4.76 0.00 1.23 1.22 -0.04 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 5.43 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 1.17 0.00 0.00 8 G 8.21 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 9 V 8.19 4.62 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 0.84 0.00 0.00 0.91 0.00 0.00 10 V 9.25 4.34 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 0.89 0.00 0.00 0.98 0.00 0.00 11 V 9.12 4.62 1.91 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 0.50 0.00 0.00 0.89 0.00 0.00 12 S 7.48 4.75 0.00 3.94 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 13 D 8.46 4.98 0.00 2.84 2.86 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 0.00 0.00 0.00 14 K 7.65 4.18 0.00 1.81 1.93 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 15 M 7.49 4.38 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 16 Q 8.43 4.08 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.12 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 17 K 9.01 4.21 0.00 2.04 1.94 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 18 T 7.33 5.28 4.28 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 1.29 0.00 0.00 19 V 8.67 4.75 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 0.75 0.00 0.00 1.00 0.00 0.00 20 T 8.88 4.74 4.32 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 1.17 0.00 0.00 21 V 8.90 4.84 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 0.85 0.00 0.00 0.87 0.00 0.00 22 L 8.84 5.04 0.00 1.42 1.29 0.86 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.53 4.27 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 0.82 0.00 0.00 0.82 0.00 0.00 24 E 8.83 4.61 0.00 1.91 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 2.34 2.31 0.00 25 R 8.60 4.70 0.00 1.94 2.07 0.00 2.43 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 26 Q 8.15 5.21 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 27 F 8.38 4.75 0.00 3.25 3.14 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 0.00 0.00 0.00 28 P 0.00 4.77 0.00 2.06 2.08 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 1.95 2.09 0.00 29 H 8.53 4.08 0.00 3.18 3.24 0.00 5.63 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 30 P 0.00 3.88 0.00 2.01 2.11 0.00 3.75 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 1.83 2.01 0.00 31 L 7.92 4.49 0.00 1.23 0.88 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.86 4.64 0.00 2.76 2.80 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 0.00 0.00 0.00 0.00 33 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.09 4.66 0.00 1.80 1.69 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.48 7.81 35 V 8.53 3.76 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 0.84 0.00 0.00 0.92 0.00 0.00 36 I 9.14 4.50 1.76 0.00 0.00 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 0.53 -0.35 0.83 0.00 0.00 37 K 8.45 5.20 0.00 1.64 1.77 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.43 7.81 38 R 8.71 5.01 0.00 2.15 1.80 0.00 3.33 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 39 S 8.37 5.18 0.00 3.87 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 40 K 8.57 4.65 0.00 1.77 1.69 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.65 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 1.20 7.81 41 K 8.45 4.97 0.00 1.58 1.62 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.38 7.81 42 Y 9.66 4.48 0.00 2.49 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 43 L 8.56 4.85 0.00 1.76 1.69 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.92 4.93 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 45 H 8.69 5.11 0.00 3.36 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.44 5.16 0.00 2.86 2.52 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 47 P 0.00 4.06 0.00 2.23 2.24 0.00 3.74 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 48 E 8.07 4.32 0.00 2.01 1.93 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 2.23 2.24 0.00 49 E 8.74 3.94 0.00 1.99 1.97 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 2.27 2.22 0.00 50 K 7.67 3.93 0.00 1.54 1.69 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.38 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.24 0.21 7.81 51 Y 7.49 4.22 0.00 3.17 3.07 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 0.00 0.00 0.00 0.00 52 K 8.62 4.53 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.52 7.81 53 L 8.18 4.02 0.00 1.77 1.61 0.99 1.03 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 54 G 8.41 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.72 4.85 0.00 2.60 2.64 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 56 V 8.04 4.60 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 0.92 0.00 0.00 0.91 0.00 0.00 57 V 8.40 4.60 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 0.17 0.00 0.00 0.80 0.00 0.00 58 E 8.54 4.74 0.00 1.92 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 2.26 2.24 0.00 59 I 8.77 5.07 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.65 0.00 0.00 60 I 8.67 4.94 1.89 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 1.09 1.73 0.92 0.00 0.00 61 E 8.63 3.17 0.00 1.76 1.70 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 2.10 1.93 0.00 62 S 8.24 4.61 0.00 3.65 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.87 0.00 1.73 1.80 0.00 3.22 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 64 P 0.00 4.46 0.00 2.06 1.98 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 65 I 8.34 4.09 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.81 0.00 0.00 66 S 7.48 4.53 0.00 3.94 3.85 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 67 K 8.85 3.96 0.00 1.74 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.49 7.81 68 R 7.90 4.48 0.00 1.82 1.91 0.00 3.24 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 69 K 7.72 5.12 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 1.40 7.81 70 R 8.60 4.95 0.00 1.79 1.69 0.00 3.20 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 71 F 8.29 5.86 0.00 2.93 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 72 R 8.49 5.04 0.00 1.76 1.83 0.00 3.21 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 73 V 8.08 3.69 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 -0.35 0.00 0.00 0.95 0.00 0.00 74 L 9.65 4.42 0.00 1.57 1.59 0.93 0.92 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 75 R 7.22 4.85 0.00 1.93 2.00 0.00 3.20 0.00 0.00 3.24 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 76 L 8.71 4.56 0.00 1.91 1.73 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.22 4.60 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 0.83 0.00 0.00 0.96 0.00 0.00 78 E 7.80 5.35 0.00 2.20 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 0.00 2.11 2.06 0.00 79 S 9.45 4.23 0.00 3.87 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 80 G 9.31 3.90 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 0.00 0.00 0.00 81 R 8.08 4.73 0.00 2.06 1.84 0.00 3.47 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 82 M 8.05 4.12 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.27 3.83 0.00 2.87 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 84 L 7.67 4.12 0.00 1.70 1.76 0.92 0.73 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 85 V 7.79 3.75 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 1.12 0.00 0.00 1.00 0.00 0.00 86 E 9.10 3.87 0.00 2.11 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 2.45 2.54 0.00 87 K 7.94 3.84 0.00 2.07 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.63 7.81 88 Y 8.05 4.21 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 89 L 7.79 3.62 0.00 1.81 1.60 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.73 3.71 1.93 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 1.52 0.76 0.85 0.00 0.00 91 R 8.01 3.65 0.00 1.76 1.94 0.00 3.12 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 92 R 7.09 3.67 0.00 1.58 1.72 0.00 3.34 0.00 0.00 3.35 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.00 93 Q 7.95 4.43 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 94 N 7.63 4.47 0.00 2.57 2.83 0.00 0.00 6.88 7.37 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 95 Y 7.65 4.42 0.00 2.99 2.89 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 96 Q 7.51 3.74 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.27 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 97 S 7.37 4.78 0.00 3.96 3.88 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 98 L 7.51 4.68 0.00 1.83 1.70 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.10 4.45 0.00 4.01 3.93 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 0.00 100 K 8.27 4.16 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81