NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 D 4.6258 8.3229 119.5546 53.0362 42.2971 176.4166 6 R 3.9215 8.2067 122.3454 60.9993 29.7265 175.3107 7 E 4.2710 8.2980 119.5093 58.8433 29.8284 178.8198 8 W 4.8525 8.0763 129.3160 60.1586 30.8924 177.6467 9 E 3.6692 8.2463 118.5615 59.1912 28.8439 179.2836 10 K 3.8940 8.1995 119.5562 59.3731 32.2546 178.4122 11 F 4.0612 8.6789 121.2893 61.3442 39.2963 177.0286 12 K 3.7658 8.0895 118.1322 59.8267 31.6045 179.2225 13 T 3.9230 7.4925 114.2612 66.7812 68.5072 176.1840 14 K 4.3464 7.8562 121.0308 57.9173 32.5713 176.6863 15 H 4.3067 8.4023 113.4698 54.5149 31.3609 173.1818 16 I 4.7977 7.8902 119.7855 59.5598 38.3150 174.8619 17 T 4.6855 8.7724 122.4162 60.3002 69.4286 174.9548 18 S 4.2038 8.7721 121.3709 59.1244 63.9706 174.2564 19 Q 4.3924 7.6322 120.8003 54.9391 29.7181 176.2678 20 S 4.4376 8.2813 115.4246 57.8966 65.0543 175.3996 21 V 3.3911 8.1961 121.3912 66.2991 31.2089 177.6496 22 A 4.1440 7.8356 118.6351 55.2491 18.4235 178.8343 23 D 4.4101 8.1894 116.5629 55.8440 41.3949 177.4125 24 F 3.9804 7.8738 121.3067 58.4620 39.9696 174.4395 25 N 4.5977 7.0249 124.1003 51.1203 41.2858 175.2654 26 C 3.9028 8.9765 127.0026 60.3507 40.1775 176.1443 27 N 4.3364 8.0311 116.2087 56.0003 38.2294 177.2043 28 R 3.9534 8.1021 120.1861 59.6924 30.3302 178.7258 29 T 3.7256 7.4331 115.3928 66.8417 68.3670 176.8127 30 M 4.2738 8.0664 120.0992 57.2628 31.5914 177.3894 31 N 4.9673 7.5762 114.3530 52.7035 39.7505 173.5452 32 D 4.7636 7.9122 120.0620 51.9128 41.8221 175.2390 33 P 4.3174 0.0000 0.0000 64.7199 31.5517 178.5224 34 A 3.8114 8.4371 120.5135 54.3799 18.1181 177.6099 35 Y 4.7622 8.2330 111.8359 57.8695 39.1498 175.6985 36 T 4.9497 7.5819 110.4266 59.4302 68.2617 172.8903 37 P 4.3515 0.0000 0.0000 65.4015 32.1485 177.6130 38 D 4.6388 7.8142 117.5611 53.5300 41.3437 175.7716 39 G 4.1648 7.5374 106.8358 44.2642 0.0000 174.0784 40 Q 4.4597 8.3979 119.4127 55.3793 30.1205 175.6127 41 C 4.9353 8.7761 115.8871 56.8070 40.9912 173.7479 42 K 4.4193 7.9960 115.8894 55.2757 32.8542 176.6119 43 P 4.5959 0.0000 0.0000 65.9713 31.5440 176.0827 44 I 4.9617 7.0870 115.0904 60.4645 41.3955 173.3786 45 N 4.6504 8.9239 124.1628 52.8880 42.8395 172.9539 46 T 4.7396 7.8286 121.4108 61.7335 70.7006 173.5120 47 F 4.6022 9.1585 125.4128 55.6591 41.6999 174.6736 48 I 4.4598 8.6204 124.6815 60.4837 38.7180 175.0899 49 H 4.8644 9.2327 126.4861 54.5266 27.2564 174.3881 50 S 4.9059 8.2519 116.1998 56.7063 65.1328 173.6686 51 T 4.2379 8.6375 114.2197 61.6119 69.5244 175.5427 52 T 4.5736 8.6832 113.6677 64.7495 68.8658 176.8269 53 G 3.7766 8.3156 108.2437 47.6200 0.0000 173.4876 54 P 4.3684 0.0000 0.0000 65.0506 31.6059 178.7393 55 V 3.7539 7.5902 117.3074 65.9524 31.5768 177.8179 56 K 3.3081 8.6932 119.7012 59.5879 31.8880 178.0891 57 E 4.0545 8.4254 117.5682 58.0662 29.1147 178.7950 58 I 3.7613 7.4042 120.1353 64.1949 37.3962 175.8566 59 C 4.5739 7.9624 115.1724 56.5995 40.3405 175.0554 60 R 3.6933 7.7300 122.4931 59.2865 29.4275 177.5052 61 R 4.4326 7.7349 111.9260 55.5995 30.6403 175.7308 62 A 4.2668 7.7283 122.2492 51.8795 19.0808 177.7709 63 T 4.5670 7.7854 111.1353 60.5904 72.4878 176.0182 64 G 3.6864 8.9745 112.2034 45.9167 0.0000 171.8401 65 R 5.1751 8.4391 122.5762 54.8025 31.5264 177.3301 66 V 4.5282 8.4105 125.3443 60.3783 35.1596 173.2476 67 N 4.9988 8.8062 121.9156 53.3119 39.3709 174.5287 68 K 4.6638 9.2922 122.4217 54.6040 36.0234 175.6955 69 S 4.9934 8.6196 120.3308 57.8176 63.8623 174.3360 70 S 4.5102 8.9851 119.7948 58.8088 63.0863 174.6163 71 T 4.1732 8.7577 112.7673 63.8133 69.3693 175.1629 72 Q 4.4235 7.7935 118.3035 54.8497 30.2081 174.8967 73 Q 4.3749 7.9724 118.0609 55.3917 30.1764 175.1466 74 F 4.9353 9.0999 120.3087 55.8212 43.2077 174.6233 75 T 4.7360 8.5423 117.9548 63.4355 69.7774 173.7128 76 L 5.3271 9.3856 125.9493 53.2735 45.9755 175.4367 77 T 4.9642 8.8143 120.0427 62.1553 71.2696 173.3551 78 T 4.9231 8.9251 123.3829 62.1367 71.0810 172.7267 79 C 5.4072 9.0979 124.8771 55.2825 42.3880 173.1877 80 K 5.1394 9.2699 122.2183 55.4449 36.3043 175.1115 81 N 4.4280 8.3798 115.4750 53.7436 36.1485 173.5500 82 P 4.0504 0.0000 0.0000 62.5797 32.6090 176.4162 83 I 4.1553 8.4293 122.1322 60.3001 38.3642 176.2424 84 R 3.6680 9.2811 126.8295 57.6173 27.4447 177.4611 85 C 3.7971 8.1075 108.2123 57.5890 36.0695 173.0742 86 K 4.9095 7.5987 119.5823 54.9601 34.1000 175.1234 87 Y 4.9133 9.6347 122.5689 56.1745 41.4494 175.0937 88 S 4.7224 8.8217 118.5726 58.3964 64.1752 172.9638 89 Q 5.3529 8.8124 126.3502 54.3353 30.9067 174.5476 90 S 4.8574 8.9854 119.7722 56.9542 67.0942 172.4593 91 N 5.7384 8.7395 117.6368 51.9431 41.8149 173.6326 92 T 4.8827 9.0059 111.8424 60.5557 73.2618 172.2056 93 T 5.1088 8.1358 111.5878 60.1261 70.9505 172.8286 94 N 4.5709 8.7763 122.0842 52.3531 43.3529 173.4198 95 F 4.9980 8.1528 121.2235 57.6209 40.6254 174.1198 96 I 5.0125 9.0989 112.8447 59.4184 41.6170 173.2653 97 C 5.4048 8.9326 123.9665 54.8197 41.3864 172.7343 98 I 5.0976 8.5369 118.9394 59.3214 41.4256 174.2883 99 T 4.7189 8.9103 120.6275 62.9839 69.9517 173.3094 100 C 5.0969 9.1152 124.6498 55.4397 43.0816 173.0191 101 R 4.8022 9.1631 123.7151 53.9723 31.4522 176.1053 102 D 4.2009 9.0783 131.0795 55.7614 40.6435 175.3521 103 N 4.5257 8.7729 124.7701 54.2816 37.5229 173.8646 104 Y 4.0413 7.6171 118.2008 55.1742 39.7955 173.4283 105 P 4.4242 0.0000 0.0000 63.0269 31.6292 176.8411 106 V 4.6638 8.5458 115.2787 61.3304 33.9284 175.3543 107 H 4.9993 7.9721 119.4150 55.0215 33.4046 171.9188 108 F 4.7295 8.7989 128.4566 57.8830 39.2544 175.1377 109 V 3.9696 8.0607 127.4465 64.1430 31.7430 175.8764 110 K 4.4523 6.5121 116.8721 56.2911 35.0305 174.0396 111 T 4.2759 8.7386 111.3820 62.5507 69.4426 175.0387 112 G 4.1459 8.8774 109.1792 44.8630 0.0000 173.5153 113 K 4.0981 8.2072 117.6670 56.0952 32.6114 178.3114 114 C 4.4111 8.8017 118.6264 57.5444 41.0291 173.8942 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 *5 D 8.32 4.63 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.21 3.92 0.00 1.89 1.95 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.35 0.00 7 E 8.30 4.27 0.00 2.07 2.15 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 2.46 2.40 0.00 8 W 8.08 4.85 0.00 3.32 3.18 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 9 E 8.25 3.67 0.00 2.18 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 2.47 2.44 0.00 10 K 8.20 3.89 0.00 1.98 2.06 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 11 F 8.68 4.06 0.00 3.43 3.38 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 12 K 8.09 3.77 0.00 1.64 1.60 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.14 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.45 7.81 13 T 7.49 3.92 4.37 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 0.00 0.00 0.00 1.18 0.00 0.00 14 K 7.86 4.35 0.00 1.73 1.54 0.00 1.62 0.00 0.00 1.43 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.94 1.16 7.81 15 H 8.40 4.31 0.00 1.92 2.44 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.89 4.80 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 1.01 0.00 0.00 17 T 8.77 4.69 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 0.75 0.00 0.00 18 S 8.77 4.20 0.00 4.03 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 0.00 19 Q 7.63 4.39 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 20 S 8.28 4.44 0.00 4.05 4.02 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 21 V 8.20 3.39 2.00 0.00 0.00 0.00 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 0.66 0.00 0.00 22 A 7.84 4.14 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 23 D 8.19 4.41 0.00 2.66 2.72 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 24 F 7.87 3.98 0.00 3.06 2.95 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 0.00 0.00 0.00 25 N 7.02 4.60 0.00 2.51 2.28 0.00 0.00 7.20 7.65 0.00 0.00 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 C 8.98 3.90 0.00 3.01 2.90 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 27 N 8.03 4.34 0.00 2.84 2.91 0.00 0.00 6.85 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 28 R 8.10 3.95 0.00 1.74 1.77 0.00 3.02 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 29 T 7.43 3.73 3.52 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 0.80 0.00 0.00 30 M 8.07 4.27 0.00 1.82 1.89 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 1.34 2.47 0.00 31 N 7.58 4.97 0.00 2.80 2.84 0.00 0.00 6.83 7.90 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 32 D 7.91 4.76 0.00 2.92 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 33 P 0.00 4.32 0.00 2.18 2.09 0.00 3.93 0.00 0.00 3.96 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 34 A 8.44 3.81 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 35 Y 8.23 4.76 0.00 3.12 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 36 T 7.58 4.95 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 1.45 0.00 0.00 37 P 0.00 4.35 0.00 2.19 2.19 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 38 D 7.81 4.64 0.00 2.68 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 39 G 7.54 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.40 4.46 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 41 C 8.78 4.94 0.00 3.28 3.18 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 42 K 8.00 4.42 0.00 1.89 1.76 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.42 7.81 43 P 0.00 4.60 0.00 2.22 2.15 0.00 3.68 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 2.15 2.12 0.00 44 I 7.09 4.96 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.95 0.00 0.00 45 N 8.92 4.65 0.00 2.67 2.29 0.00 0.00 7.15 6.79 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 46 T 7.83 4.74 3.19 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 1.09 0.00 0.00 47 F 9.16 4.60 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.46 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.71 0.00 0.00 49 H 9.23 4.86 0.00 3.11 3.27 0.00 5.67 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 50 S 8.25 4.91 0.00 4.36 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 51 T 8.64 4.24 4.34 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 1.27 0.00 0.00 52 T 8.68 4.57 4.76 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 1.24 0.00 0.00 53 G 8.32 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 54 P 0.00 4.37 0.00 2.36 2.30 0.00 3.95 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 2.16 2.25 0.00 55 V 7.59 3.75 2.51 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 1.19 0.00 0.00 0.89 0.00 0.00 56 K 8.69 3.31 0.00 1.66 1.72 0.00 1.18 0.00 0.00 1.41 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.32 7.81 57 E 8.43 4.05 0.00 2.04 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 2.60 2.49 0.00 58 I 7.40 3.76 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 0.92 0.00 0.00 59 C 7.96 4.57 0.00 2.95 3.11 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 60 R 7.73 3.69 0.00 1.96 1.94 0.00 3.19 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 61 R 7.73 4.43 0.00 1.78 1.87 0.00 3.26 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 62 A 7.73 4.27 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 63 T 7.79 4.57 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 1.18 0.00 0.00 64 G 8.97 3.69 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 0.00 0.00 0.00 65 R 8.44 5.18 0.00 1.81 1.83 0.00 3.26 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 66 V 8.41 4.53 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 0.71 0.00 0.00 0.91 0.00 0.00 67 N 8.81 5.00 0.00 2.61 2.76 0.00 0.00 6.80 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 68 K 9.29 4.66 0.00 1.53 1.62 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 69 S 8.62 4.99 0.00 3.69 3.71 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 0.00 0.00 0.00 70 S 8.99 4.51 0.00 4.30 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.17 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 1.21 0.00 0.00 72 Q 7.79 4.42 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 73 Q 7.97 4.37 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 74 F 9.10 4.94 0.00 3.02 2.95 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 0.00 0.00 0.00 75 T 8.54 4.74 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 1.14 0.00 0.00 76 L 9.39 5.33 0.00 1.53 1.52 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.81 4.96 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 1.26 0.00 0.00 78 T 8.93 4.92 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 1.25 0.00 0.00 79 C 9.10 5.41 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 5.14 0.00 1.88 1.96 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.51 7.81 81 N 8.38 4.43 0.00 2.95 2.91 0.00 0.00 7.01 7.47 0.00 0.00 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 P 0.00 4.05 0.00 1.70 0.49 0.00 3.66 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 1.82 1.80 0.00 83 I 8.43 4.16 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.87 0.00 0.00 84 R 9.28 3.67 0.00 1.87 1.94 0.00 3.32 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 85 C 8.11 3.80 0.00 3.13 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.91 0.00 1.90 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.25 7.81 87 Y 9.63 4.91 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 88 S 8.82 4.72 0.00 4.02 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 89 Q 8.81 5.35 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 90 S 8.99 4.86 0.00 3.93 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 0.00 91 N 8.74 5.74 0.00 2.57 2.69 0.00 0.00 6.71 7.54 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 92 T 9.01 4.88 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 1.23 0.00 0.00 93 T 8.14 5.11 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 1.18 0.00 0.00 94 N 8.78 4.57 0.00 2.86 2.71 0.00 0.00 6.90 7.14 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 95 F 8.15 5.00 0.00 3.16 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 96 I 9.10 5.01 1.88 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 1.35 1.40 1.18 0.00 0.00 97 C 8.93 5.40 0.00 3.08 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 98 I 8.54 5.10 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.98 0.00 0.00 99 T 8.91 4.72 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 1.22 0.00 0.00 100 C 9.12 5.10 0.00 2.92 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 0.00 101 R 9.16 4.80 0.00 1.88 1.85 0.00 3.30 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 102 D 9.08 4.20 0.00 2.83 1.94 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 0.00 103 N 8.77 4.53 0.00 2.32 2.65 0.00 0.00 5.70 7.55 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 0.00 104 Y 7.62 4.04 0.00 3.15 2.72 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 0.00 105 P 0.00 4.42 0.00 1.52 1.14 0.00 2.21 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 106 V 8.55 4.66 2.34 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 0.79 0.00 0.00 1.03 0.00 0.00 107 H 7.97 5.00 0.00 3.34 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.80 4.73 0.00 2.57 2.50 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 0.00 109 V 8.06 3.97 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 0.78 0.00 0.00 0.94 0.00 0.00 110 K 6.51 4.45 0.00 1.81 1.82 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.21 7.81 111 T 8.74 4.28 4.36 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 1.43 0.00 0.00 112 G 8.88 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 0.00 0.00 0.00 0.00 113 K 8.21 4.10 0.00 1.66 1.63 0.00 1.45 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.04 1.00 7.81 114 C 8.80 4.41 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.