NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6351 8.3493 120.3188 52.6675 40.7644 174.8737 7 K 4.0631 8.3013 119.3470 55.4544 33.3911 175.0893 8 Y 3.9931 8.7657 122.4225 58.0509 40.0161 176.8520 9 D 4.4585 7.6181 126.9181 52.9273 40.3105 176.1659 10 F 4.3317 8.4413 127.6366 59.4275 39.5688 176.5695 11 R 3.8679 8.2005 117.7784 59.8066 29.8279 178.5320 12 A 3.9232 7.7431 120.1329 55.0415 18.3990 179.3185 13 L 2.4400 7.1424 118.4007 57.4302 42.0885 178.9396 14 G 3.6651 7.0636 107.3823 47.0733 0.0000 175.3398 15 L 3.9104 7.8718 122.5307 57.6464 42.0566 178.8351 16 A 3.9954 7.8712 120.8099 55.1072 18.2219 179.6244 17 I 3.5621 7.8225 118.6126 64.4232 37.2149 178.6120 18 K 4.5447 7.8850 121.6893 58.9631 31.9606 178.6462 19 E 3.9118 8.5531 119.0348 59.4234 29.4496 179.0496 20 A 3.9509 8.2959 121.0932 55.1914 18.4868 179.3912 21 R 3.8050 8.2806 117.4614 59.8579 30.0350 178.9442 22 K 4.0255 8.1648 118.0119 59.2004 31.8137 179.3168 23 K 3.9803 8.1416 119.0988 58.8731 32.1893 177.9619 24 Q 4.3363 7.7162 115.8524 55.2376 28.8765 176.0453 25 G 3.9375 7.9208 108.1646 46.3170 0.0000 173.5653 26 L 4.6477 7.6287 118.9241 53.4511 43.0990 177.4919 27 T 4.4300 8.7107 113.8476 60.7129 71.7028 176.4077 28 R 3.9511 8.3042 119.7131 59.0376 30.0203 178.9064 29 E 3.9226 8.1094 118.9497 59.2810 29.4834 178.7927 30 Q 3.9475 7.7915 116.8382 58.9752 28.9287 178.3902 31 V 3.8116 7.6723 117.9048 65.9824 31.8231 177.7820 32 G 3.9700 8.6288 106.7509 47.0332 0.0000 176.5284 33 A 4.0019 7.7225 120.4758 51.9130 18.3979 178.1136 *35 I 3.9345 7.5618 111.9628 61.1465 39.3927 174.9820 36 E 3.8193 8.1110 118.8782 58.1463 26.9366 174.2284 37 I 4.7045 7.2208 110.0213 58.0825 41.1409 174.3224 38 D 4.5540 8.7421 120.9237 54.4148 42.1226 175.5354 39 P 4.2960 0.0000 0.0000 66.1001 31.2066 178.8896 40 R 3.9943 9.2194 117.2268 59.1349 29.9479 178.4581 41 Y 4.2851 8.0174 119.0731 60.5727 38.8813 177.2733 42 L 3.7617 7.9518 121.2966 58.5918 42.0679 178.7880 43 T 3.8798 8.2029 115.8539 67.2207 68.4413 176.1616 44 N 4.4285 8.0716 117.9943 56.1541 38.6320 177.7039 45 I 4.0550 7.7859 122.7765 63.9313 37.2938 178.3136 46 E 4.3431 8.5806 119.5790 58.6567 29.2171 178.1748 47 N 4.9284 8.3710 113.9232 52.9747 40.2521 175.4820 48 K 4.4856 7.7527 116.5059 55.0441 33.9644 176.5999 49 G 4.0938 8.5076 106.2309 46.2115 0.0000 173.5702 50 Q 4.0379 7.9743 121.3055 55.7500 29.5031 175.0180 51 H 4.0709 8.6836 123.4350 54.5784 29.1567 173.6973 52 P 4.4999 0.0000 0.0000 61.9022 32.0897 176.6165 53 S 4.3460 8.2076 114.2095 58.1938 64.7285 175.0067 54 L 3.9530 8.5161 123.7726 58.4717 41.6272 178.8879 55 Q 4.0233 8.1013 118.8007 59.3708 29.0567 178.4609 56 V 3.5746 7.7689 118.9435 65.7170 31.4754 177.4987 57 L 3.9224 8.0987 120.2541 58.4501 41.9610 178.2285 58 Y 4.0716 8.4825 119.5790 60.9661 38.7156 177.9198 59 D 4.0262 8.3996 119.8855 57.1178 40.9135 178.8247 60 L 3.8522 8.2132 119.7481 58.0759 41.7690 180.0683 61 V 3.7157 7.9419 112.3158 63.6991 31.2476 178.8148 62 S 4.0455 7.5500 113.7877 60.8764 63.1013 175.8370 63 L 4.0123 7.4891 123.0961 57.4009 41.9717 178.1452 64 L 4.3793 7.6713 114.9578 53.0903 43.1317 175.5667 65 N 4.0446 7.9069 116.2924 54.6075 37.0737 173.8157 66 V 4.2890 7.5153 116.6894 61.0000 33.6229 174.6758 67 S 4.3593 8.5800 122.0393 57.9854 63.1348 174.4184 68 V 3.8471 8.2777 126.5875 65.2975 31.4273 177.6029 69 D 4.3611 8.0059 118.5033 57.3323 40.4400 177.8567 70 E 3.7829 7.7185 118.3829 59.1520 29.5208 178.2839 71 F 4.6861 8.0191 114.9750 58.5234 39.9036 177.1227 72 F 4.8847 8.3679 116.2051 57.6698 40.8232 176.0632 73 L 4.8821 8.1463 117.1469 52.0397 41.6788 174.5879 74 P 4.2706 0.0000 0.0000 62.2815 32.3013 176.8520 75 A 3.9199 8.5864 125.7142 52.3112 18.6919 176.9307 76 S 4.0083 8.5168 115.7030 58.2591 62.2380 174.6080 77 S 4.3372 8.5114 124.0289 58.3719 62.1008 173.1797 78 Q 4.4903 7.8671 123.5550 54.9417 31.5807 173.9064 79 V 3.8717 8.4167 124.8074 61.3082 32.3673 175.5019 80 K 4.6170 8.2651 122.4385 54.0607 34.9657 176.8645 81 S 4.3801 8.3375 117.6592 58.1698 65.2056 175.3281 82 T 3.8289 8.4796 119.5608 67.0332 68.1431 176.3289 83 K 3.7793 8.1308 119.4905 59.8093 32.1477 178.7935 84 R 3.8722 8.0272 118.3054 59.8062 30.0846 178.8488 85 R 3.9606 8.2116 117.7476 59.1136 29.9981 179.0490 86 Q 3.9564 8.5974 118.3841 58.7307 28.6286 178.4126 87 L 3.8616 8.2501 121.7183 58.4033 41.9139 178.9893 88 E 3.9146 7.8095 116.8768 59.2796 29.1044 178.5690 89 N 4.5555 7.9710 116.7634 56.6519 38.8026 177.1553 90 K 4.0155 7.6936 118.7435 58.2432 32.4846 178.3164 91 I 2.9131 6.8313 111.8412 60.2428 37.4946 177.3746 92 D 4.3286 7.3776 120.7644 57.9594 40.6934 177.2352 93 N 4.8681 7.9518 113.1723 52.6001 37.6099 174.9053 94 F 4.5846 7.5710 117.4090 58.0754 39.6466 176.1336 95 T 4.2785 8.7487 116.2577 61.1307 70.5119 175.3396 96 D 4.3552 8.5849 119.3910 57.3025 40.9021 177.8947 97 A 3.9937 7.8498 120.3394 55.0583 18.6126 178.8140 98 D 4.2493 7.8190 116.9434 57.5505 40.6327 179.1024 99 L 4.1553 7.6874 117.7916 57.7558 41.7822 179.7314 100 V 3.8728 7.5745 112.1739 64.1170 31.4688 178.7097 101 I 3.9135 7.2990 115.6144 62.4321 36.8655 177.1803 *103 E 4.2492 8.2396 123.6614 56.3203 31.2161 177.8345 104 S 4.1313 8.2388 112.8787 61.3672 62.3485 176.3375 105 V 3.5822 7.8206 120.3974 65.7048 30.9987 177.8755 106 A 4.0442 7.9779 120.2338 55.2231 18.2481 179.1619 107 D 4.4229 8.1500 117.2870 57.5073 40.8774 179.2419 108 G 3.6369 8.3605 106.5267 47.7764 0.0000 175.7832 109 I 3.7262 8.3064 122.4517 64.1963 37.1347 178.7603 110 V 3.5593 7.5210 118.8957 65.8008 31.4103 177.9220 111 K 3.8887 8.1896 119.5095 59.5683 31.9396 178.5144 112 S 4.0756 8.4745 113.8067 61.3890 62.0539 175.9750 113 K 3.6740 8.0195 121.3963 59.4755 31.9068 178.1111 114 E 4.0631 7.9390 118.7021 59.2905 29.7314 178.6082 115 V 3.8213 7.7798 117.2181 65.6732 31.6752 175.8968 116 G 3.7436 8.7129 112.1610 45.7119 0.0000 173.0993 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 6 D 8.35 4.64 0.00 2.81 2.76 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 7 K 8.30 4.06 0.00 2.00 1.87 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.56 7.81 8 Y 8.77 3.99 0.00 2.85 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 9 D 7.62 4.46 0.00 2.54 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 0.00 0.00 0.00 0.00 10 F 8.44 4.33 0.00 3.32 3.29 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 0.00 11 R 8.20 3.87 0.00 2.00 1.93 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 12 A 7.74 3.92 1.47 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 0.00 0.00 13 L 7.14 2.44 0.00 0.91 0.79 0.40 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.06 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 15 L 7.87 3.91 0.00 1.83 1.77 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.87 4.00 1.28 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 0.00 0.00 0.00 17 I 7.82 3.56 1.97 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 1.34 0.60 0.88 0.00 0.00 18 K 7.88 4.54 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.32 7.81 19 E 8.55 3.91 0.00 2.21 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 2.42 2.48 0.00 20 A 8.30 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.28 3.81 0.00 1.91 2.12 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 22 K 8.16 4.03 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 23 K 8.14 3.98 0.00 1.74 1.92 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 Q 7.72 4.34 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 25 G 7.92 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 0.00 0.00 0.00 26 L 7.63 4.65 0.00 1.83 1.58 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.71 4.43 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 1.21 0.00 0.00 28 R 8.30 3.95 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 29 E 8.11 3.92 0.00 2.03 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 2.38 2.41 0.00 30 Q 7.79 3.95 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 31 V 7.67 3.81 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 0.77 0.00 0.00 0.91 0.00 0.00 32 G 8.63 3.97 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 0.00 0.00 0.00 33 A 7.72 4.00 1.35 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 0.00 0.00 *35 I 7.56 3.93 1.86 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 1.58 0.64 0.87 0.00 0.00 36 E 8.11 3.82 0.00 2.19 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 0.00 2.26 2.24 0.00 37 I 7.22 4.70 2.08 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.01 0.00 0.00 38 D 8.74 4.55 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.30 0.00 2.21 2.12 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 40 R 9.22 3.99 0.00 2.00 2.02 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 41 Y 8.02 4.29 0.00 2.94 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 L 7.95 3.76 0.00 1.73 1.81 0.84 0.67 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 43 T 8.20 3.88 4.45 0.00 0.00 0.00 0.00 0.00 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 44 N 8.07 4.43 0.00 2.93 2.94 0.00 0.00 7.08 7.39 0.00 0.00 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 I 7.79 4.05 1.90 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.63 1.01 0.00 0.00 46 E 8.58 4.34 0.00 2.21 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 2.32 2.48 0.00 47 N 8.37 4.93 0.00 2.82 2.85 0.00 0.00 6.83 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 48 K 7.75 4.49 0.00 1.94 1.81 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.64 7.81 49 G 8.51 4.09 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 0.00 0.00 0.00 50 Q 7.97 4.04 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 7.05 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 51 H 8.68 4.07 0.00 3.09 3.13 0.00 5.78 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 52 P 0.00 4.50 0.00 2.09 1.83 0.00 2.66 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 53 S 8.21 4.35 0.00 4.13 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 54 L 8.52 3.95 0.00 1.77 1.75 0.95 0.60 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 55 Q 8.10 4.02 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 56 V 7.77 3.57 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 0.73 0.00 0.00 1.05 0.00 0.00 57 L 8.10 3.92 0.00 1.83 1.90 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.48 4.07 0.00 3.11 3.23 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 0.00 59 D 8.40 4.03 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 60 L 8.21 3.85 0.00 1.79 1.66 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.94 3.72 2.25 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 0.86 0.00 0.00 0.94 0.00 0.00 62 S 7.55 4.05 0.00 3.80 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.01 0.00 1.73 1.88 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.67 4.38 0.00 1.67 1.64 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.91 4.04 0.00 2.77 2.81 0.00 0.00 6.88 7.71 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 66 V 7.52 4.29 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 0.80 0.00 0.00 0.90 0.00 0.00 67 S 8.58 4.36 0.00 3.87 3.77 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 68 V 8.28 3.85 1.83 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 -0.11 0.00 0.00 0.78 0.00 0.00 69 D 8.01 4.36 0.00 2.78 2.71 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 E 7.72 3.78 0.00 1.73 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 0.00 1.47 1.70 0.00 71 F 8.02 4.69 0.00 3.32 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.88 0.00 2.88 3.06 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 73 L 8.15 4.88 0.00 1.67 1.61 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.27 0.00 2.05 2.00 0.00 3.77 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 2.10 2.15 0.00 75 A 8.59 3.92 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 76 S 8.52 4.01 0.00 3.84 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 77 S 8.51 4.34 0.00 4.01 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 78 Q 7.87 4.49 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 79 V 8.42 3.87 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 0.78 0.00 0.00 0.92 0.00 0.00 80 K 8.27 4.62 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.53 7.81 81 S 8.34 4.38 0.00 4.04 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 82 T 8.48 3.83 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 83 K 8.13 3.78 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 84 R 8.03 3.87 0.00 1.90 1.92 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 85 R 8.21 3.96 0.00 1.99 1.93 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 86 Q 8.60 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 87 L 8.25 3.86 0.00 1.76 1.82 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.81 3.91 0.00 2.11 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 2.31 2.48 0.00 89 N 7.97 4.56 0.00 2.98 2.83 0.00 0.00 7.18 6.34 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 90 K 7.69 4.02 0.00 1.67 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 91 I 6.83 2.91 1.50 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 1.52 0.72 0.39 0.00 0.00 92 D 7.38 4.33 0.00 2.82 2.75 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 93 N 7.95 4.87 0.00 2.87 2.94 0.00 0.00 6.04 7.43 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 94 F 7.57 4.58 0.00 3.26 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 95 T 8.75 4.28 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 1.19 0.00 0.00 96 D 8.58 4.36 0.00 2.74 2.71 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 97 A 7.85 3.99 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 98 D 7.82 4.25 0.00 2.56 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 0.00 0.00 0.00 0.00 99 L 7.69 4.16 0.00 1.84 1.79 1.16 0.99 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 0.00 100 V 7.57 3.87 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 0.81 0.00 0.00 1.02 0.00 0.00 101 I 7.30 3.91 2.03 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 1.17 0.89 0.92 0.00 0.00 *103 E 8.24 4.25 0.00 2.20 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 2.29 2.32 0.00 104 S 8.24 4.13 0.00 4.02 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 0.00 105 V 7.82 3.58 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 0.86 0.00 0.00 1.02 0.00 0.00 106 A 7.98 4.04 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 0.00 107 D 8.15 4.42 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.36 3.64 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 0.00 109 I 8.31 3.73 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.91 0.00 0.00 110 V 7.52 3.56 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 1.00 0.00 0.00 1.00 0.00 0.00 111 K 8.19 3.89 0.00 2.04 1.79 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.60 7.81 112 S 8.47 4.08 0.00 3.89 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 0.00 113 K 8.02 3.67 0.00 2.02 1.86 0.00 1.90 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 114 E 7.94 4.06 0.00 2.03 2.14 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 2.32 2.46 0.00 115 V 7.78 3.82 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 0.87 0.00 0.00 0.95 0.00 0.00 116 G 8.71 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.