NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4682 8.3349 115.4133 58.7586 63.2952 172.5193 0 M 4.0971 8.1164 127.9765 57.2150 33.1287 176.0431 1 S 4.3541 8.5711 114.8621 58.0550 64.8488 173.6400 2 K 4.5043 8.4117 123.0543 56.8593 33.2200 176.0176 3 T 5.4756 8.3826 112.3511 60.4326 72.8701 172.6073 4 I 4.4141 8.5799 121.1510 59.2419 41.1111 173.7128 5 V 4.6891 8.4638 129.4589 61.4974 32.6861 174.9439 6 L 4.8676 8.5753 128.0418 53.5872 44.7887 175.6413 7 S 4.8579 8.2017 113.0958 57.8198 65.5647 174.9140 8 V 4.0994 8.7645 124.9317 61.6053 31.6533 176.3387 9 G 4.0775 8.0068 119.6056 46.7509 0.0000 174.1293 10 E 4.0337 8.8595 123.6931 57.0270 29.9472 176.1288 11 A 4.0871 7.7144 122.9849 52.1289 17.9552 175.8553 12 T 4.8358 8.2845 117.4486 61.6025 69.0089 174.5361 13 R 4.5221 9.3888 128.6442 54.7020 32.2293 174.1741 14 T 4.5179 8.3773 120.6590 62.6479 69.8493 174.1993 15 L 4.8803 8.7629 126.6956 53.3750 44.3518 175.4765 16 T 4.9807 8.9812 121.3831 61.4999 70.8203 173.9264 17 E 3.6764 8.8664 128.1695 56.3223 29.7576 176.3563 18 I 4.4693 8.0250 118.9337 60.3931 39.1151 175.0942 19 Q 4.4280 7.4640 121.9016 55.9007 32.3980 173.3671 20 S 4.7306 8.6218 120.8871 57.5701 63.0349 172.4712 21 T 4.6615 8.2422 116.9737 58.8237 71.3933 174.5320 22 A 4.1115 8.4457 123.1731 55.1245 18.6719 178.7331 23 D 4.4252 8.3037 115.1255 56.6543 41.6907 175.7097 24 R 4.6660 7.2912 113.1787 55.9224 33.2703 172.9927 25 Q 5.2157 8.9302 118.5526 54.1784 32.1965 174.9995 26 I 5.1077 8.3565 122.7385 59.5896 41.0634 174.5282 27 F 5.1079 9.4435 124.4809 55.7145 42.8530 173.6892 28 E 5.1566 9.3710 123.2510 54.3372 33.6495 173.7851 29 E 4.5267 8.9091 127.4017 55.3732 29.9361 178.0133 30 K 4.4238 8.3699 130.5479 54.6721 30.7420 176.6184 31 V 4.4079 7.1664 117.8441 61.1726 35.0341 177.5102 32 G 3.8025 8.4753 109.6480 44.2614 0.0000 171.1377 33 P 4.2570 0.0000 0.0000 62.8698 31.8183 176.3829 34 L 4.0701 8.4652 122.7618 57.4124 42.4117 177.5389 35 V 4.0900 7.6516 111.3153 61.0655 32.6791 175.5653 36 G 3.9645 8.7031 110.6688 46.5534 0.0000 174.1543 37 R 4.0714 7.9074 117.2756 55.0890 30.9667 176.4440 38 L 4.2613 8.4753 123.1846 55.7657 43.1649 175.6593 39 R 5.1337 8.8646 125.4770 54.4467 33.8837 173.3289 40 L 5.2595 9.5285 127.5829 53.6255 45.1684 174.9321 41 T 5.3089 9.0429 122.4967 61.8025 71.6366 173.0926 42 A 5.4163 9.1574 126.8482 50.4547 22.9318 175.0007 43 S 4.9370 9.4031 114.6458 56.8787 67.2255 172.6213 44 L 5.2086 8.5193 122.3887 53.4971 44.3821 175.6493 45 R 4.8127 9.1369 124.8107 54.4643 33.9492 174.2728 46 Q 4.8102 8.6415 123.8542 54.3895 30.9788 174.8238 47 N 4.5281 8.5801 123.0717 52.3942 38.5360 176.4020 48 G 3.5137 8.6893 108.2197 48.6311 0.0000 175.1716 49 A 3.9802 7.8661 121.3571 52.8390 18.5557 177.5758 50 K 3.7315 7.6827 114.0165 57.7842 29.9681 176.5384 51 T 4.4512 7.9894 109.1194 62.2612 70.4293 173.6759 52 A 5.0895 7.6483 122.8292 51.0517 23.2990 174.2635 53 Y 5.2230 9.2821 116.3085 56.2660 42.3023 175.1824 54 R 5.1798 9.4108 121.4902 54.5616 33.2226 174.7963 55 V 4.6798 8.7268 124.6654 61.5100 33.6799 174.1344 56 N 5.9589 9.0362 124.8538 50.6297 41.6958 173.4161 57 L 5.3367 8.6225 122.6486 52.8202 45.9145 175.4626 58 K 4.9830 9.2921 124.0108 54.8612 35.8010 174.2861 59 L 5.0943 9.1189 130.1603 53.5788 44.4159 174.4344 60 D 5.3575 9.1355 126.7403 52.5738 43.7692 174.9874 61 Q 4.6569 9.1994 125.3075 54.2256 31.0061 174.3858 62 A 4.7283 8.5784 128.4400 51.4691 20.3143 175.9937 63 D 4.3546 8.8472 120.9362 52.8866 42.4088 175.7234 64 V 4.4908 8.1154 127.3376 61.2426 32.6801 175.0508 65 V 3.8601 8.1884 129.2789 62.3556 32.6443 174.7227 66 D 4.9811 8.7177 127.3373 52.0135 41.6186 174.9175 67 S 4.6457 8.7670 121.7470 54.5307 62.5128 171.7967 68 G 3.5753 7.2572 114.3759 45.7699 0.0000 171.8485 *75 L 4.6155 7.9329 119.7986 52.9945 43.5896 175.3278 76 P 4.6232 0.0000 0.0000 62.6399 32.4227 175.5114 77 K 4.6082 8.7798 122.0027 54.5607 35.9305 175.0049 78 V 4.1725 8.3524 126.8677 62.6240 31.4789 175.5504 79 R 4.2934 9.2480 130.3125 59.2730 30.6859 175.8248 80 Y 4.8556 7.0053 113.5437 56.5179 41.0066 173.1509 81 T 5.0695 8.7465 117.0753 62.0803 71.1899 173.5258 82 Q 4.7471 8.9824 125.2562 54.5468 31.1766 174.9185 83 V 4.9612 8.3036 121.5256 60.9320 35.1159 174.4633 84 W 4.8725 9.4622 135.0000 55.8596 32.9623 174.0375 85 S 5.5049 8.8448 121.3771 56.9988 65.8202 173.0764 86 H 5.0852 9.5986 117.2064 54.1349 32.9160 172.1576 87 D 5.1376 8.8979 121.1831 52.6270 43.7548 174.6911 88 V 4.3738 8.8995 127.0826 61.4747 33.9316 174.4771 89 T 4.8805 8.6569 125.4499 62.7152 69.4046 174.2052 90 I 4.5209 8.5667 128.3930 59.3819 39.9103 175.3680 91 V 4.3699 8.4179 127.0068 62.1606 32.3374 176.9027 92 A 4.2842 9.0075 131.3525 54.9281 18.4550 177.9760 93 N 4.8380 8.0497 111.0832 52.5821 37.6538 175.3687 94 S 4.3457 7.6043 113.6932 58.6434 63.3918 174.6414 95 T 4.2014 7.8350 111.9544 61.2850 70.6972 175.2913 96 E 3.8929 8.8186 123.0962 59.6340 29.5338 179.0633 97 A 4.0251 8.0332 120.4207 55.2748 18.4455 179.6189 98 S 4.1049 8.1070 112.6521 61.5054 63.0817 177.0907 99 R 3.9012 7.7569 121.1343 58.9312 29.8295 178.6818 100 K 3.9322 8.3723 119.8664 59.7099 32.1320 178.6766 101 S 4.1133 8.4846 113.6415 61.2120 62.3443 175.8230 102 L 3.9600 7.9897 123.1115 58.2225 41.8417 178.2058 103 Y 3.9697 8.0852 119.3514 61.0342 38.7859 177.9725 104 D 4.3464 8.6114 120.0543 57.2848 40.7854 178.8968 105 L 3.9981 8.0733 119.6050 57.9139 41.5865 179.6970 106 T 3.7997 7.8824 115.7402 66.3218 68.3961 176.3797 107 K 3.5360 7.9202 122.0557 59.6530 31.8009 178.4876 108 S 3.9713 7.6196 111.4771 61.2711 62.5278 175.3545 109 L 4.0865 8.0463 123.2468 58.4091 41.5977 179.2234 110 V 3.6810 8.0162 116.8816 65.8214 31.5662 177.4530 111 A 4.1303 7.7557 119.1649 53.2240 18.7209 177.9229 112 T 4.0890 7.0054 108.5431 61.2924 69.7565 176.0502 113 S 4.2479 8.5614 118.9316 61.5074 62.7190 177.0208 114 Q 4.0358 7.9965 120.9495 58.7515 28.4996 178.4384 115 V 3.6212 7.6799 119.5145 65.6138 31.5372 177.3827 116 E 4.0024 8.0194 118.8955 59.8829 29.3459 178.8674 117 D 4.3758 8.2241 118.5067 57.0650 40.7365 178.4552 118 L 4.1542 8.1326 122.5421 57.4655 41.8282 179.3252 119 V 3.4913 7.9039 117.3755 66.0944 31.7375 177.9826 120 V 3.8912 8.0203 116.7283 64.7749 30.8531 176.0477 121 N 4.9093 8.1928 113.3087 51.6948 39.9480 174.3282 122 L 3.7320 7.9135 115.6033 54.2753 39.4110 174.5961 123 V 3.8204 6.9846 115.6400 61.4909 31.3953 173.9454 124 P 4.4805 0.0000 0.0000 62.3201 31.8992 176.3854 125 L 4.0878 8.0626 120.4550 55.5180 42.2430 177.7966 126 G 4.1368 8.4662 111.3504 46.4722 0.0000 174.4058 127 R 4.1546 8.2413 123.6180 56.0379 30.2572 176.9125 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 -1 S 8.33 4.47 0.00 4.00 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 0 M 8.12 4.10 0.00 2.10 2.15 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 2.55 2.57 0.00 1 S 8.57 4.35 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 2 K 8.41 4.50 0.00 1.77 1.85 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.46 7.81 3 T 8.38 5.48 4.41 0.00 0.00 0.00 0.00 0.00 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 4 I 8.58 4.41 1.40 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.30 0.35 0.00 0.00 5 V 8.46 4.69 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 0.92 0.00 0.00 6 L 8.58 4.87 0.00 1.59 1.51 0.87 0.43 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 7 S 8.20 4.86 0.00 3.97 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 8 V 8.76 4.10 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 0.96 0.00 0.00 0.92 0.00 0.00 9 G 8.01 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.86 4.03 0.00 1.97 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 0.00 2.29 2.30 0.00 11 A 7.71 4.09 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 12 T 8.28 4.84 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 1.21 0.00 0.00 13 R 9.39 4.52 0.00 1.71 1.83 0.00 3.17 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 14 T 8.38 4.52 4.26 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 1.23 0.00 0.00 15 L 8.76 4.88 0.00 1.83 1.73 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.98 4.98 4.26 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 1.22 0.00 0.00 17 E 8.87 3.68 0.00 1.66 1.66 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 0.00 1.96 1.47 0.00 18 I 8.03 4.47 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.92 0.00 0.00 19 Q 7.46 4.43 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 20 S 8.62 4.73 0.00 3.86 3.66 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 0.00 0.00 0.00 0.00 21 T 8.24 4.66 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 1.20 0.00 0.00 22 A 8.45 4.11 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 23 D 8.30 4.43 0.00 2.66 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 24 R 7.29 4.67 0.00 1.97 1.99 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 25 Q 8.93 5.22 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 26 I 8.36 5.11 1.83 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 1.25 0.72 0.93 0.00 0.00 27 F 9.44 5.11 0.00 2.97 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 28 E 9.37 5.16 0.00 1.96 1.72 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 2.21 2.38 0.00 29 E 8.91 4.53 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 30 K 8.37 4.42 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 31 V 7.17 4.41 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 0.70 0.00 0.00 0.93 0.00 0.00 32 G 8.48 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 33 P 0.00 4.26 0.00 2.18 2.02 0.00 3.68 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 2.02 2.09 0.00 34 L 8.47 4.07 0.00 1.58 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.65 4.09 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 0.75 0.00 0.00 0.96 0.00 0.00 36 G 8.70 3.96 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 0.00 0.00 0.00 37 R 7.91 4.07 0.00 2.02 2.02 0.00 3.34 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 38 L 8.48 4.26 0.00 1.79 1.58 0.98 0.75 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 39 R 8.86 5.13 0.00 2.09 1.73 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 40 L 9.53 5.26 0.00 1.75 1.56 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.04 5.31 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 42 A 9.16 5.42 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 43 S 9.40 4.94 0.00 3.93 3.95 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 44 L 8.52 5.21 0.00 1.63 1.59 0.92 0.78 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 45 R 9.14 4.81 0.00 1.77 1.79 0.00 3.35 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 46 Q 8.64 4.81 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 1.94 1.44 0.00 47 N 8.58 4.53 0.00 2.78 2.89 0.00 0.00 6.85 6.24 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 48 G 8.69 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 49 A 7.87 3.98 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 50 K 7.68 3.73 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 51 T 7.99 4.45 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 1.18 0.00 0.00 52 A 7.65 5.09 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 53 Y 9.28 5.22 0.00 2.86 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 54 R 9.41 5.18 0.00 1.69 1.86 0.00 3.32 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.73 4.68 2.12 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 1.07 0.00 0.00 0.95 0.00 0.00 56 N 9.04 5.96 0.00 2.77 2.72 0.00 0.00 6.64 6.26 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 57 L 8.62 5.34 0.00 1.64 1.56 0.81 0.76 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 58 K 9.29 4.98 0.00 1.83 1.66 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.45 7.81 59 L 9.12 5.09 0.00 1.84 1.60 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.14 5.36 0.00 2.64 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 61 Q 9.20 4.66 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 62 A 8.58 4.73 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 63 D 8.85 4.35 0.00 1.64 1.54 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 64 V 8.12 4.49 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 0.79 0.00 0.00 0.88 0.00 0.00 65 V 8.19 3.86 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 0.91 0.00 0.00 0.90 0.00 0.00 66 D 8.72 4.98 0.00 2.60 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 67 S 8.77 4.65 0.00 3.98 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 68 G 7.26 3.58 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 0.00 0.00 0.00 *75 L 7.93 4.62 0.00 1.67 1.65 0.92 1.18 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 76 P 0.00 4.62 0.00 2.16 2.04 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 77 K 8.78 4.61 0.00 1.75 1.61 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.49 7.81 78 V 8.35 4.17 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 0.76 0.00 0.00 0.90 0.00 0.00 79 R 9.25 4.29 0.00 1.74 1.70 0.00 3.42 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 80 Y 7.01 4.86 0.00 3.04 2.99 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 81 T 8.75 5.07 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 1.26 0.00 0.00 82 Q 8.98 4.75 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 83 V 8.30 4.96 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 0.91 0.00 0.00 1.00 0.00 0.00 84 W 9.46 4.87 0.00 3.46 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 85 S 8.84 5.50 0.00 4.05 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 86 H 9.60 5.09 0.00 3.04 3.25 0.00 5.55 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 87 D 8.90 5.14 0.00 2.68 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 88 V 8.90 4.37 2.13 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 0.98 0.00 0.00 0.99 0.00 0.00 89 T 8.66 4.88 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 90 I 8.57 4.52 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.99 0.97 0.00 0.00 91 V 8.42 4.37 2.12 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 1.04 0.00 0.00 0.96 0.00 0.00 92 A 9.01 4.28 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 93 N 8.05 4.84 0.00 2.86 2.93 0.00 0.00 6.03 7.64 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 94 S 7.60 4.35 0.00 4.06 3.95 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 95 T 7.83 4.20 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 1.22 0.00 0.00 96 E 8.82 3.89 0.00 2.04 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 2.36 2.37 0.00 97 A 8.03 4.03 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 98 S 8.11 4.10 0.00 4.11 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 0.00 99 R 7.76 3.90 0.00 2.04 2.02 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 100 K 8.37 3.93 0.00 1.84 2.07 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.68 7.81 101 S 8.48 4.11 0.00 4.00 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 0.00 102 L 7.99 3.96 0.00 1.96 1.88 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.09 3.97 0.00 3.17 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 0.00 104 D 8.61 4.35 0.00 2.73 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 0.00 105 L 8.07 4.00 0.00 1.88 1.70 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.88 3.80 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 1.17 0.00 0.00 107 K 7.92 3.54 0.00 1.15 1.71 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.30 7.81 108 S 7.62 3.97 0.00 3.88 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 0.00 109 L 8.05 4.09 0.00 1.91 1.88 0.94 1.21 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 0.00 110 V 8.02 3.68 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 0.64 0.00 0.00 0.97 0.00 0.00 111 A 7.76 4.13 1.36 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 0.00 0.00 112 T 7.01 4.09 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 1.27 0.00 0.00 113 S 8.56 4.25 0.00 3.89 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 0.00 114 Q 8.00 4.04 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 115 V 7.68 3.62 2.26 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 1.30 0.00 0.00 1.02 0.00 0.00 116 E 8.02 4.00 0.00 2.10 2.18 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 2.35 2.43 0.00 117 D 8.22 4.38 0.00 2.75 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 0.00 118 L 8.13 4.15 0.00 1.96 1.83 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.90 3.49 2.22 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 0.83 0.00 0.00 0.73 0.00 0.00 120 V 8.02 3.89 2.18 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 0.92 0.00 0.00 1.03 0.00 0.00 121 N 8.19 4.91 0.00 2.92 2.74 0.00 0.00 7.00 6.38 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 0.00 122 L 7.91 3.73 0.00 1.73 1.69 0.88 0.99 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 0.00 123 V 6.98 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 0.95 0.00 0.00 0.93 0.00 0.00 124 P 0.00 4.48 0.00 2.07 1.95 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 125 L 8.06 4.09 0.00 1.63 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.47 4.14 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 0.00 127 R 8.24 4.15 0.00 1.81 1.85 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.