NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2556 0.0000 0.0000 61.9394 32.4192 175.3268 3 K 3.6187 8.7415 122.7057 55.5060 31.7650 174.5876 4 K 3.9835 8.7795 125.8193 57.0120 34.1430 174.9429 5 V 5.1406 8.1426 123.3304 61.6228 35.1250 174.1292 6 L 4.7477 8.8156 124.4809 53.4158 46.4970 174.8463 7 T 5.3763 7.8746 113.1529 59.5588 70.3509 174.0206 8 G 4.3069 8.2169 112.0760 44.5873 0.0000 171.7301 9 V 4.6652 8.2105 120.9048 60.6695 33.3900 176.0927 10 V 4.3530 9.1476 124.2854 62.0109 32.4489 176.7807 11 V 4.6617 9.0728 120.7065 61.0285 33.6587 174.8411 12 S 4.7517 7.4965 112.9128 58.2118 65.3751 175.8100 13 D 4.9940 8.4477 123.6138 52.7940 40.3833 177.1983 14 K 4.1866 7.6749 118.9190 58.4297 32.1037 176.7942 15 M 4.3946 7.4401 118.5070 53.8805 32.9736 176.3614 16 Q 4.0755 8.4380 120.3079 56.3340 28.3953 176.4013 17 K 4.5422 9.0417 121.2182 57.1608 29.7027 175.4010 18 T 5.2766 7.3643 113.8016 62.0926 72.2998 173.8966 19 V 4.7377 8.6400 115.7471 60.3210 36.7355 174.2792 20 T 4.7332 8.8242 121.7291 62.5907 69.7603 173.8466 21 V 4.7971 8.9181 127.3417 60.8731 34.5555 173.7489 22 L 5.0935 8.8673 130.2844 53.3615 44.4260 175.2249 23 V 4.2110 8.5728 125.2467 60.9131 34.2370 173.9881 24 E 4.4813 8.8341 128.5755 56.3412 30.0938 177.3199 25 R 4.7005 8.6540 121.9780 55.0520 32.4958 174.7280 26 Q 5.1904 8.1453 116.0749 54.8912 31.9975 173.4577 27 F 4.7582 8.4691 114.5634 56.3508 41.5869 170.3797 28 P 4.9122 0.0000 0.0000 60.9449 33.1454 174.8876 29 H 4.0252 8.4916 123.1759 55.8918 29.9668 174.5478 30 P 3.6002 0.0000 0.0000 64.9621 31.4203 176.5073 31 L 4.4771 7.9216 115.9270 54.2396 43.5729 175.9902 32 Y 4.6538 7.8729 112.6300 56.6936 39.0842 175.2857 33 G 4.0312 8.3475 113.7295 46.6571 0.0000 173.3575 34 K 4.5762 7.1689 121.4385 51.8685 32.4923 175.1389 35 V 3.7654 8.5371 128.7768 63.6775 31.9460 175.1371 36 I 4.5125 8.9907 122.1170 59.0562 40.9404 174.3974 37 K 5.2211 8.4679 121.2609 54.7895 34.8895 175.6506 38 R 5.0089 8.7226 122.9254 54.9934 34.3530 173.4565 39 S 5.2723 8.3259 114.4557 57.3054 66.0580 173.1857 40 K 4.6600 8.4892 120.8278 54.7829 36.0206 174.6748 41 K 5.0096 8.4221 123.8772 55.3597 33.7775 175.5260 42 Y 4.5029 9.7016 122.0821 56.2545 41.9891 175.1863 43 L 4.8469 8.5720 122.7582 53.5993 42.1876 175.6650 44 A 4.9700 9.0152 126.3491 51.4523 20.6986 175.4306 45 H 5.1708 8.6334 118.8523 55.0279 32.2991 174.3433 46 D 5.1691 8.3765 122.2649 52.6037 41.4697 173.9796 47 P 4.0376 0.0000 0.0000 64.7786 32.0944 177.8042 48 E 4.3128 8.0579 116.2579 55.6105 29.8405 175.9656 49 E 3.9058 8.7381 118.0255 56.9153 27.9823 176.9039 50 K 3.9258 7.6779 116.4096 60.0320 32.8873 177.1187 51 Y 4.2356 7.3245 117.7883 57.1109 38.1295 176.2092 52 K 4.5451 8.7070 124.7385 54.6010 35.2670 175.5270 53 L 4.0278 8.1978 119.9339 56.2945 41.0838 177.9666 54 G 4.0408 8.4173 107.8321 45.8445 0.0000 173.4385 55 D 4.8561 7.6875 120.7639 54.1975 42.2549 175.3388 56 V 4.5516 8.0439 121.0396 61.4090 33.6403 174.9966 57 V 4.6421 8.3983 119.9138 59.5430 36.0937 174.4480 58 E 4.6527 8.5628 123.2915 56.0973 31.0107 175.7414 59 I 5.0931 8.6848 124.3392 59.4407 40.9818 174.1188 60 I 4.9361 8.7096 127.0183 58.6335 40.6678 174.2082 61 E 3.1175 8.5947 129.9258 57.2098 29.8664 176.0700 62 S 4.6014 8.3399 121.5479 56.8239 67.9009 173.7033 63 R 3.8823 8.4040 121.0430 55.6342 30.2515 174.2198 64 P 4.4573 0.0000 0.0000 63.2188 31.5974 176.1179 65 I 4.0785 8.3119 124.9927 63.0505 37.9170 175.4910 66 S 4.5232 7.4921 111.6268 57.1745 65.2252 173.5437 67 K 3.9540 8.8495 120.6868 59.3446 31.5998 177.4960 68 R 4.4663 7.9128 113.1735 55.5860 31.6585 175.4809 69 K 5.1292 7.7316 118.5302 54.6685 32.4808 176.5334 70 R 4.8457 8.6248 124.1078 55.6691 32.4473 174.8618 71 F 5.8983 8.3222 115.3510 55.4660 43.9426 173.8154 72 R 5.0396 8.4642 118.2835 54.1364 34.6382 174.7976 73 V 3.7001 8.0954 122.3600 63.3732 31.4487 175.2794 74 L 4.4304 9.6736 133.0120 56.3311 42.1028 176.2529 75 R 4.7624 7.2543 112.8602 54.7441 32.6161 173.2986 76 L 4.5663 8.6943 122.8011 55.6600 42.6370 176.4198 77 V 4.5741 8.2616 118.6137 61.7623 34.4062 175.2352 78 E 5.3028 7.7829 119.1663 55.6869 32.7290 175.6655 79 S 4.2455 9.4471 119.1850 58.6099 61.1582 175.2058 80 G 3.8966 9.3198 113.9032 46.3582 0.0000 174.4837 81 R 4.7290 8.0709 129.7693 53.9753 31.6284 177.3508 82 M 4.1246 8.0329 119.7268 58.1399 32.2155 177.9100 83 D 3.8594 8.2895 119.1478 56.5578 39.0202 178.8247 84 L 4.0904 7.6626 120.0122 57.4518 41.8648 179.3008 85 V 3.7561 7.7083 117.6894 65.9078 31.4158 177.0744 86 E 3.8827 9.0649 119.3839 59.8142 29.2435 179.2864 87 K 3.8380 7.8887 117.4417 60.1420 32.2717 178.8182 88 Y 4.2053 8.0687 119.1994 60.5046 38.3282 178.4066 89 L 3.6028 7.7948 119.3371 57.5750 42.1948 178.6547 90 I 3.7066 7.6955 119.8618 64.5979 36.9971 177.8639 91 R 3.6405 7.9760 119.1915 59.8084 29.6665 178.2828 92 R 3.6730 7.0649 113.8882 57.5522 29.8738 177.6326 93 Q 4.4505 7.9774 118.3471 56.6096 30.4165 177.3259 94 N 4.1813 7.6955 117.0046 55.7582 38.7044 176.8867 95 Y 4.4121 7.6374 118.2610 61.3098 38.1506 178.1081 96 Q 3.8257 7.4613 119.2171 58.5876 29.5996 177.6848 97 S 4.7765 7.3926 113.6302 56.2996 61.8441 172.7410 98 L 4.6823 7.5069 119.7617 56.6646 48.8547 177.5358 99 S 4.4628 7.0783 109.5610 58.3472 62.8737 174.4926 100 K 4.1550 8.2780 118.9627 57.3453 32.9472 176.0167 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 8.74 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 1.41 1.46 7.81 4 K 8.78 3.98 0.00 1.90 1.91 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.58 7.81 5 V 8.14 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 0.89 0.00 0.00 1.02 0.00 0.00 6 L 8.82 4.75 0.00 1.22 1.21 -0.05 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 5.38 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 1.16 0.00 0.00 8 G 8.22 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 8.21 4.67 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 0.88 0.00 0.00 0.91 0.00 0.00 10 V 9.15 4.35 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 11 V 9.07 4.66 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 0.53 0.00 0.00 0.81 0.00 0.00 12 S 7.50 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 8.45 4.99 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 7.67 4.19 0.00 1.83 1.93 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 15 M 7.44 4.39 0.00 2.03 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 2.52 0.00 16 Q 8.44 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 6.17 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 17 K 9.04 4.54 0.00 2.03 1.92 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 18 T 7.36 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 1.31 0.00 0.00 19 V 8.64 4.74 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 0.77 0.00 0.00 0.99 0.00 0.00 20 T 8.82 4.73 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 8.92 4.80 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 0.89 0.00 0.00 0.87 0.00 0.00 22 L 8.87 5.09 0.00 1.41 1.29 0.84 0.30 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 8.57 4.21 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 0.79 0.00 0.00 24 E 8.83 4.48 0.00 1.91 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 0.00 2.34 2.31 0.00 25 R 8.65 4.70 0.00 1.92 2.06 0.00 2.41 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 26 Q 8.15 5.19 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 27 F 8.47 4.76 0.00 3.24 3.12 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 28 P 0.00 4.91 0.00 2.06 2.09 0.00 3.68 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 1.95 2.09 0.00 29 H 8.49 4.03 0.00 3.08 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.65 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 3.60 0.00 2.01 2.11 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 31 L 7.92 4.48 0.00 1.22 0.85 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.87 4.65 0.00 2.76 2.79 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 33 G 8.35 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 0.00 0.00 0.00 34 K 7.17 4.58 0.00 1.80 1.70 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.48 7.81 35 V 8.54 3.77 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 0.87 0.00 0.00 0.92 0.00 0.00 36 I 8.99 4.51 1.77 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 0.48 -0.26 0.87 0.00 0.00 37 K 8.47 5.22 0.00 1.64 1.78 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.43 7.81 38 R 8.72 5.01 0.00 2.13 1.79 0.00 3.31 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 39 S 8.33 5.27 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 8.49 4.66 0.00 1.75 1.66 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.04 1.24 7.81 41 K 8.42 5.01 0.00 1.58 1.62 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.37 7.81 42 Y 9.70 4.50 0.00 2.47 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 43 L 8.57 4.85 0.00 1.76 1.69 0.94 1.07 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 9.02 4.97 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 45 H 8.63 5.17 0.00 3.34 3.24 0.00 5.80 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 8.38 5.17 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 4.04 0.00 2.23 2.24 0.00 3.75 0.00 0.00 3.21 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 8.06 4.31 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 2.24 2.24 0.00 49 E 8.74 3.91 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 7.68 3.93 0.00 1.52 1.68 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.37 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.24 0.21 7.81 51 Y 7.32 4.24 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 52 K 8.71 4.55 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.52 7.81 53 L 8.20 4.03 0.00 1.77 1.61 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.42 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 55 D 7.69 4.86 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 4.55 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 0.97 0.00 0.00 57 V 8.40 4.64 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 0.23 0.00 0.00 0.79 0.00 0.00 58 E 8.56 4.65 0.00 1.91 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 2.27 2.24 0.00 59 I 8.68 5.09 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.64 0.00 0.00 60 I 8.71 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 1.86 0.92 0.00 0.00 61 E 8.59 3.12 0.00 1.77 1.71 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 2.11 1.94 0.00 62 S 8.34 4.60 0.00 3.63 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 8.40 3.88 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 3.68 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 2.07 0.00 65 I 8.31 4.08 1.85 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 1.44 0.68 0.80 0.00 0.00 66 S 7.49 4.52 0.00 3.95 3.84 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 67 K 8.85 3.95 0.00 1.74 1.91 0.00 1.73 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 7.91 4.47 0.00 1.82 1.92 0.00 3.24 0.00 0.00 3.23 7.26 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 7.73 5.13 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.63 1.40 7.81 70 R 8.62 4.85 0.00 1.78 1.68 0.00 3.18 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 8.32 5.90 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 8.46 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 8.10 3.70 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 0.94 0.00 0.00 74 L 9.67 4.43 0.00 1.55 1.60 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 7.25 4.76 0.00 1.93 2.00 0.00 3.04 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 76 L 8.69 4.57 0.00 1.91 1.73 1.03 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 8.26 4.57 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 0.84 0.00 0.00 0.91 0.00 0.00 78 E 7.78 5.30 0.00 2.19 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 2.11 2.07 0.00 79 S 9.45 4.25 0.00 3.87 3.51 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 80 G 9.32 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 8.07 4.73 0.00 2.08 1.83 0.00 3.46 0.00 0.00 3.19 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 8.03 4.12 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.16 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 8.29 3.86 0.00 2.87 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 84 L 7.66 4.09 0.00 1.72 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.71 3.76 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 9.06 3.88 0.00 2.15 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 2.46 2.54 0.00 87 K 7.89 3.84 0.00 2.01 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 8.07 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 3.60 0.00 1.76 1.60 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.70 3.71 1.92 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 1.51 0.75 0.85 0.00 0.00 91 R 7.98 3.64 0.00 1.77 1.94 0.00 3.12 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 92 R 7.06 3.67 0.00 1.55 1.72 0.00 3.34 0.00 0.00 3.35 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.00 93 Q 7.98 4.45 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.46 0.00 94 N 7.70 4.18 0.00 2.57 2.83 0.00 0.00 6.86 8.83 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 95 Y 7.64 4.41 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 7.46 3.83 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 97 S 7.39 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 1.86 1.70 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.08 4.46 0.00 4.03 3.94 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 0.00 100 K 8.28 4.15 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81