NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2460 8.2531 123.5787 51.9043 20.5739 177.1744 16 G 4.0123 8.0586 100.9117 46.0046 0.0000 173.2821 17 I 3.9886 7.9746 121.4730 63.9076 38.4492 175.4090 18 T 3.9787 7.7562 116.5557 63.4359 69.2132 174.2603 19 G 3.5108 7.4938 112.8792 44.8828 0.0000 171.3171 20 T 4.7878 7.6089 117.4928 61.4945 70.6744 174.2017 21 W 4.8121 8.3312 124.8320 54.8939 33.6036 173.9054 22 Y 5.4423 9.2146 119.4753 56.4728 41.3477 175.2518 23 N 5.2560 9.1630 120.1874 50.3100 39.7030 175.3328 24 Q 4.2222 8.4211 114.6560 57.7430 29.0499 176.5903 25 L 4.2302 8.0659 117.5150 55.4522 42.4072 177.3320 26 G 4.0346 8.3465 107.5220 45.2866 0.0000 173.3046 27 S 5.0882 8.5508 115.5572 57.7714 65.1847 173.3386 28 T 5.0918 8.6978 118.3175 61.7168 72.2032 173.1702 29 F 5.1918 8.7764 120.2118 55.0146 41.7209 173.6189 30 I 4.8981 8.9043 122.6338 59.5517 39.6844 174.9596 31 V 4.8770 8.7240 126.2528 60.0868 35.3963 174.5224 32 T 4.7821 8.8655 119.0692 61.7599 71.2819 172.8799 33 A 4.7806 8.6376 129.0744 50.5081 19.8520 177.3469 34 G 3.9262 9.5731 112.5472 44.4531 0.0000 174.5725 35 A 4.0635 8.5494 123.5408 55.0017 18.5003 178.5935 36 D 4.4491 7.9892 112.3175 54.0041 39.8114 177.0965 37 G 3.3003 8.0973 109.0344 44.8024 0.0000 173.1611 38 A 4.9132 8.3350 122.1737 51.3694 20.4096 176.5212 39 L 5.2362 8.8558 121.1087 53.1610 44.5447 175.9147 40 T 4.9156 8.7281 112.9046 59.9329 72.8357 174.4416 41 G 3.6670 7.2263 108.7060 46.3769 0.0000 171.3290 42 T 5.1428 7.9475 115.3477 61.9246 72.9094 172.5042 43 Y 4.9412 9.3847 127.0212 55.8590 41.1797 174.2787 44 V 5.1508 8.6253 127.0349 61.2083 34.5230 175.3624 45 T 4.8492 9.0952 118.1965 61.0266 70.0138 175.5128 46 A 4.9000 8.7360 123.6263 54.4614 18.3127 179.0591 47 R 3.9076 8.1325 116.3242 57.5764 30.2855 178.3526 48 G 3.7936 8.2704 104.5003 45.3695 0.0000 172.9105 49 N 4.6891 7.3395 117.3971 50.9775 39.3020 175.6586 50 A 3.8976 8.3196 119.7333 55.4181 18.3249 179.0169 51 E 4.0495 7.4846 112.7005 57.8818 29.8181 177.3463 52 S 4.9456 8.2211 114.8267 58.2193 64.6574 173.2407 53 R 5.2052 7.4907 119.7491 54.9323 31.4846 175.5237 54 Y 4.8497 9.0504 120.5927 55.9952 42.4065 175.0603 55 V 4.3672 8.5762 122.6934 62.7473 32.5902 175.0462 56 L 5.1239 8.7349 126.2665 54.3480 43.8035 175.1662 57 T 4.7737 8.4500 114.2524 61.2902 71.5163 173.3727 58 G 4.4047 8.6759 111.9032 46.5048 0.0000 172.0518 59 R 5.6242 8.5976 117.7320 55.1941 34.9903 174.0048 60 Y 5.2745 8.5068 118.5912 55.3928 41.8126 174.5127 61 D 4.3330 8.9376 120.7439 54.1380 40.7393 176.6506 62 S 4.4041 8.2030 120.5709 58.6683 63.8805 174.7387 63 A 4.6639 8.0405 123.5239 50.2723 18.7807 173.8494 64 P 4.8420 0.0000 0.0000 60.6758 32.8161 177.2119 65 A 4.1844 8.3779 121.9221 52.9045 18.7209 177.4964 66 T 4.5222 8.3156 109.1259 61.5985 69.0790 174.7000 67 D 4.5905 8.0188 119.7746 53.9832 39.4950 177.1165 68 G 4.0274 8.2485 108.3475 45.4687 0.0000 174.5533 69 S 4.2331 8.2864 116.0895 58.3501 63.2951 174.2076 70 G 4.0618 8.3325 110.2318 46.1958 0.0000 172.6483 71 T 4.8235 8.8079 116.5260 61.4966 70.2895 174.7787 72 A 4.8159 8.7091 129.2610 52.2497 20.0399 175.8216 73 L 4.8785 9.0725 120.1357 55.6593 44.6108 173.7700 74 G 4.6397 9.0617 105.4423 45.5732 0.0000 172.0414 75 W 5.6329 8.4235 116.4942 55.6771 32.0218 173.4028 76 T 5.1845 9.1699 117.4197 61.8228 71.6910 173.2914 77 V 4.4237 8.6312 124.3435 60.8889 34.5925 173.8746 78 A 4.6025 8.2447 129.3040 49.5698 20.2939 177.6707 79 W 4.3251 8.6792 125.8231 56.5293 28.8114 176.4019 80 K 5.2482 8.0233 118.1892 54.6823 35.3279 174.5591 81 N 5.0046 8.8271 124.3847 52.3648 38.7067 174.0023 82 N 4.4384 8.5086 113.3555 54.3372 39.1795 174.9186 83 Y 4.6629 7.9115 115.3472 58.3092 40.0669 175.7031 84 R 4.5787 7.5836 113.5987 55.4273 31.7496 173.2985 85 N 5.2530 8.5785 116.8593 52.4927 41.1548 173.6845 86 A 4.3935 9.0733 128.1170 51.4613 19.8836 176.2381 87 H 4.1658 8.6651 114.3475 56.3866 26.9347 173.3300 88 S 5.2412 7.4090 111.5189 57.6694 67.0750 174.2714 89 A 5.0589 9.1869 121.3589 50.7759 22.7303 175.2254 90 T 4.9785 8.6717 118.3319 61.7470 71.7837 173.4354 91 T 4.9092 8.2260 115.0681 59.6377 71.8692 172.6936 92 W 4.9540 8.6323 125.1043 54.8705 31.6233 174.8829 93 S 4.8247 8.8483 119.3932 56.8245 65.1591 173.3534 94 G 4.6760 8.4677 112.2033 46.4882 0.0000 171.5289 95 Q 5.2221 8.3973 117.3055 54.8321 32.3510 173.4374 96 Y 4.6695 9.2067 124.0968 56.7308 40.7770 174.1114 97 V 4.1294 8.6042 126.7720 60.9908 33.9270 175.5317 98 G 4.1062 7.9934 115.8531 44.8624 0.0000 170.2011 99 G 3.7952 9.0054 104.7061 43.6586 0.0000 173.6360 100 A 4.0816 8.6805 121.0805 54.5972 18.7989 178.1976 101 E 4.6738 7.7376 112.9886 54.4671 29.4413 175.8338 102 A 4.5445 7.6692 120.6403 52.8978 19.7573 178.3105 103 R 5.2282 9.1383 116.3301 55.2292 33.9593 173.9074 104 I 4.9092 8.9713 120.9404 59.8834 39.6977 174.4521 105 N 5.3866 9.1125 125.9581 51.9799 40.4018 174.5833 106 T 5.3419 9.3062 113.5732 60.0943 73.0778 172.7154 107 Q 5.1464 9.0086 120.9710 53.8622 32.5212 174.7632 108 W 5.3150 8.4597 118.6579 54.5952 32.3560 174.0247 109 L 5.1970 8.7237 120.3776 53.0339 44.7067 175.1929 110 L 4.9892 9.1765 126.9168 53.6890 44.1303 174.9613 111 T 5.0769 8.9230 123.7052 61.9597 71.1854 173.6063 112 S 5.0781 8.7857 122.6616 56.6583 65.0766 174.3502 113 G 3.9322 8.7075 111.5792 46.4429 0.0000 173.1290 114 T 4.7460 8.1979 113.1990 59.6572 72.4380 173.2691 115 T 4.4049 8.0509 112.2192 60.9260 69.8973 175.4427 116 E 3.9398 8.7395 120.6846 59.4558 29.6392 179.7076 117 A 4.0480 8.0612 120.4188 54.7776 18.8377 177.5922 118 N 4.6029 7.9927 111.3194 53.0075 38.9426 176.9414 119 A 4.2213 7.9911 124.2804 54.0878 18.6099 180.6307 120 W 4.3241 8.2681 112.5168 58.7595 28.2182 176.7804 121 K 4.2817 6.5808 117.3738 56.3048 32.2069 177.6796 122 S 4.1338 7.8759 117.5585 61.1023 63.4109 173.4677 123 T 4.9944 7.6226 116.4717 61.6815 70.9565 173.7164 124 L 4.7418 8.9080 127.3870 53.6180 43.8104 176.3517 125 V 4.4386 7.7795 120.3228 60.3779 34.5848 175.1187 126 G 3.0431 6.3566 107.2449 45.8033 0.0000 171.3822 127 H 5.3721 7.9865 113.7946 54.0010 31.7459 172.3549 128 D 5.0875 9.3277 118.8029 53.0485 45.1579 173.9851 129 T 5.1735 8.4577 119.6670 61.9014 71.8673 172.7269 130 F 5.3720 9.5234 125.5280 56.0435 42.0185 174.8455 131 T 5.4852 9.1065 111.6788 60.0490 72.1615 174.7477 132 K 3.6951 8.7975 119.8449 57.4015 32.5875 177.7002 133 V 4.4552 7.3547 111.0087 58.7732 34.3357 175.6985 134 K 3.6826 8.0066 120.4483 56.7561 31.7433 177.0646 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 15 A 8.25 4.25 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 16 G 8.06 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.97 3.99 1.37 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.60 0.00 0.00 18 T 7.76 3.98 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 1.15 0.00 0.00 19 G 7.49 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 0.00 0.00 0.00 20 T 7.61 4.79 3.91 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 0.00 0.00 0.64 0.00 0.00 21 W 8.33 4.81 0.00 1.78 2.57 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 22 Y 9.21 5.44 0.00 2.92 2.82 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 23 N 9.16 5.26 0.00 2.85 2.36 0.00 0.00 6.64 7.30 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 24 Q 8.42 4.22 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 25 L 8.07 4.23 0.00 1.76 1.82 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 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 27 S 8.55 5.09 0.00 4.15 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 28 T 8.70 5.09 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 0.97 0.00 0.00 29 F 8.78 5.19 0.00 2.77 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 30 I 8.90 4.90 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.84 0.00 0.00 31 V 8.72 4.88 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 0.76 0.00 0.00 0.71 0.00 0.00 32 T 8.87 4.78 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 33 A 8.64 4.78 0.68 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 34 G 9.57 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 0.00 0.00 0.00 35 A 8.55 4.06 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 36 D 7.99 4.45 0.00 2.78 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 37 G 8.10 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 0.00 0.00 0.00 38 A 8.34 4.91 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.86 5.24 0.00 1.72 1.47 1.01 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.73 4.92 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 41 G 7.23 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 0.00 0.00 0.00 42 T 7.95 5.14 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 1.29 0.00 0.00 43 Y 9.38 4.94 0.00 2.84 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 44 V 8.63 5.15 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 1.10 0.00 0.00 0.95 0.00 0.00 45 T 9.10 4.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 46 A 8.74 4.90 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.13 3.91 0.00 1.95 2.00 0.00 3.31 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 48 G 8.27 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 49 N 7.34 4.69 0.00 2.77 2.96 0.00 0.00 6.77 6.92 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 50 A 8.32 3.90 1.14 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 0.00 0.00 51 E 7.48 4.05 0.00 2.07 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 2.18 1.70 0.00 52 S 8.22 4.95 0.00 4.04 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 53 R 7.49 5.21 0.00 1.64 1.86 0.00 3.10 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 54 Y 9.05 4.85 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.37 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.73 5.12 0.00 1.90 1.63 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.45 4.77 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 1.23 0.00 0.00 58 G 8.68 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.60 5.62 0.00 1.77 1.79 0.00 3.29 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.51 5.27 0.00 2.95 2.82 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 61 D 8.94 4.33 0.00 2.83 2.70 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 62 S 8.20 4.40 0.00 3.88 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.66 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.84 0.00 2.28 2.18 0.00 3.45 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.38 4.18 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 66 T 8.32 4.52 4.27 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 1.24 0.00 0.00 67 D 8.02 4.59 0.00 2.80 2.82 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 68 G 8.25 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 69 S 8.29 4.23 0.00 3.91 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 70 G 8.33 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.81 4.82 4.57 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 1.44 0.00 0.00 72 A 8.71 4.82 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 73 L 9.07 4.88 0.00 2.03 1.93 1.27 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.06 4.64 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 75 W 8.42 5.63 0.00 3.41 3.15 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 76 T 9.17 5.18 4.25 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 0.00 0.00 0.00 1.15 0.00 0.00 77 V 8.63 4.42 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 -0.39 0.00 0.00 0.72 0.00 0.00 78 A 8.24 4.60 1.17 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 0.00 0.00 0.00 79 W 8.68 4.33 0.00 3.29 2.93 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 80 K 8.02 5.25 0.00 1.90 1.71 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.43 7.81 81 N 8.83 5.00 0.00 2.70 2.53 0.00 0.00 7.00 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 82 N 8.51 4.44 0.00 1.96 2.02 0.00 0.00 6.61 7.46 0.00 0.00 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 Y 7.91 4.66 0.00 3.06 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 R 7.58 4.58 0.00 2.04 2.07 0.00 3.07 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 85 N 8.58 5.25 0.00 2.64 2.59 0.00 0.00 6.91 7.96 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 86 A 9.07 4.39 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.67 4.17 0.00 3.31 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.41 5.24 0.00 4.00 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 89 A 9.19 5.06 1.18 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 0.00 0.00 0.00 90 T 8.67 4.98 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 -0.48 0.00 0.00 91 T 8.23 4.91 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 1.13 0.00 0.00 92 W 8.63 4.95 0.00 1.78 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 0.00 0.00 0.00 93 S 8.85 4.82 0.00 3.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.47 4.68 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 95 Q 8.40 5.22 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.21 4.67 0.00 3.04 2.91 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 0.00 0.00 0.00 97 V 8.60 4.13 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 0.91 0.00 0.00 0.91 0.00 0.00 98 G 7.99 4.11 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 0.00 0.00 0.00 99 G 9.01 3.80 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 0.00 0.00 0.00 100 A 8.68 4.08 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 0.00 101 E 7.74 4.67 0.00 1.95 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 2.21 2.22 0.00 102 A 7.67 4.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.14 5.23 0.00 2.07 2.15 0.00 2.77 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 104 I 8.97 4.91 1.87 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.13 1.16 0.00 0.00 105 N 9.11 5.39 0.00 2.77 2.82 0.00 0.00 6.08 6.50 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 0.00 106 T 9.31 5.34 4.52 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 1.55 0.00 0.00 107 Q 9.01 5.15 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 108 W 8.46 5.31 0.00 2.60 2.36 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 0.00 109 L 8.72 5.20 0.00 1.52 1.55 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.18 4.99 0.00 1.55 1.64 0.60 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.92 5.08 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 112 S 8.79 5.08 0.00 3.66 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 0.00 113 G 8.71 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 0.00 0.00 0.00 114 T 8.20 4.75 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 1.15 0.00 0.00 115 T 8.05 4.40 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 1.19 0.00 0.00 116 E 8.74 3.94 0.00 2.06 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 0.00 2.41 2.31 0.00 117 A 8.06 4.05 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 0.00 118 N 7.99 4.60 0.00 2.68 2.53 0.00 0.00 6.80 6.72 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 0.00 119 A 7.99 4.22 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.27 4.32 0.00 3.51 3.21 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 0.00 0.00 0.00 0.00 121 K 6.58 4.28 0.00 1.23 0.74 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.68 0.80 7.81 122 S 7.88 4.13 0.00 4.13 4.10 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 0.00 123 T 7.62 4.99 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 0.00 124 L 8.91 4.74 0.00 1.82 1.77 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.78 4.44 1.80 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 0.56 0.00 0.00 0.69 0.00 0.00 126 G 6.36 3.04 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 0.00 127 H 7.99 5.37 0.00 3.16 3.13 0.00 5.67 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 0.00 128 D 9.33 5.09 0.00 3.30 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.46 5.17 4.30 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 1.32 0.00 0.00 130 F 9.52 5.37 0.00 3.09 3.13 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 0.00 131 T 9.11 5.49 4.38 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 0.00 0.00 0.00 1.37 0.00 0.00 132 K 8.80 3.70 0.00 1.56 1.63 0.00 1.41 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.47 7.81 133 V 7.35 4.46 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 0.70 0.00 0.00 0.92 0.00 0.00 134 K 8.01 3.68 0.00 1.38 1.45 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.53 0.21 7.81