NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2179 8.3144 121.7901 55.6822 33.4746 175.1800 2 E 3.8177 8.6393 127.3480 54.6434 30.1774 174.9193 3 T 4.2317 8.7663 118.5302 61.3490 72.0585 174.8462 4 A 3.9940 8.5351 123.5279 55.3218 18.5680 179.9804 5 A 4.1447 8.0029 118.6285 55.3223 18.5014 179.6008 6 A 4.0227 8.2581 119.4020 55.1216 18.3668 179.7800 7 K 4.1303 8.3924 119.8325 58.9687 32.1543 178.8422 8 F 4.1386 8.4238 121.0202 61.4014 39.3461 176.9962 9 E 4.0036 8.3433 117.9479 59.3462 29.0262 179.3915 10 R 3.8625 7.9671 117.8353 59.6337 30.3068 178.3098 11 Q 4.0007 8.1072 116.6076 57.9820 28.9881 176.3006 12 H 4.6690 8.0705 114.3273 53.9020 31.6519 173.1652 13 M 4.6479 7.8512 118.7521 53.7497 33.3494 176.9192 14 D 4.7526 8.8704 123.2747 53.4965 41.6403 175.7399 15 S 4.3989 8.8485 117.4991 60.7639 63.8798 176.6665 16 S 4.3020 7.6739 114.4081 61.0341 64.0196 174.3065 17 T 4.3746 7.0789 114.0482 61.3929 67.4391 175.2150 *22 S 4.2407 8.5695 113.1123 57.7168 62.8669 174.1008 23 S 4.3611 8.7315 121.0046 60.0751 63.5119 174.0423 24 N 4.7676 7.9918 119.0813 53.6503 39.2151 175.3465 25 Y 4.0144 7.9243 118.6852 61.7643 38.7291 177.6076 26 C 4.1829 8.5053 117.0165 60.1316 38.5832 175.8799 27 N 4.4402 8.2119 117.4533 56.4778 38.1726 177.3938 28 Q 3.8068 7.8759 119.0453 59.1987 28.9120 178.5471 29 M 3.7382 7.7345 121.3424 58.0300 31.7712 178.8276 30 M 4.0668 8.2010 119.1418 57.8524 31.9269 178.8983 31 K 4.1246 7.7843 121.2230 58.9255 32.4618 179.1572 32 S 4.1718 8.0445 114.4401 61.0566 62.5299 175.5064 33 R 4.4163 7.6869 119.3150 55.0250 30.1870 175.7943 34 N 4.2152 7.8810 114.8834 54.8435 36.5973 174.7891 35 L 4.6391 8.2038 115.5548 54.8768 42.2867 177.8881 36 T 5.0226 7.5254 106.6181 59.8847 69.0381 175.2158 37 K 3.9337 7.7488 121.7961 59.5023 32.4999 176.8946 38 D 4.6275 7.9188 122.2103 55.5801 42.3934 176.7702 39 R 3.9983 7.2248 113.3376 54.4674 32.3177 174.5082 40 C 4.8358 8.5107 116.7373 55.6739 40.4247 173.7879 41 K 4.1543 8.6153 127.5464 55.8566 32.3113 174.4418 42 P 4.6891 0.0000 0.0000 65.3513 32.0523 176.4166 43 V 5.0247 7.5467 116.4577 61.3457 34.6559 173.7562 44 N 4.7263 8.9845 123.5821 52.8852 42.6480 173.0010 45 T 4.8102 7.7576 119.8621 61.6122 72.3347 172.6511 46 F 4.8651 8.8805 124.3213 55.6502 42.0959 174.5794 47 V 4.4796 9.1786 123.3844 61.7026 33.4360 175.5183 48 H 5.6293 9.1108 123.6997 55.2093 29.9656 175.1317 49 E 4.3212 8.1305 118.6242 55.2088 30.5568 176.9794 50 S 4.3615 8.3024 114.9559 58.2606 65.0354 174.8749 51 L 3.9928 8.5736 124.5070 58.3625 41.8251 179.2224 52 A 3.9998 7.9833 120.1497 55.3853 18.1820 179.1634 53 D 4.3257 7.9180 116.1201 57.4929 41.1733 178.9915 54 V 3.7854 7.9048 118.7941 66.1396 31.7411 178.2147 55 Q 3.9455 8.6793 117.9226 58.6623 28.5029 178.4570 56 A 4.0471 8.0560 121.6171 54.4768 18.3204 179.6010 57 V 3.4520 7.6315 117.0657 65.9306 31.2884 176.8649 58 C 3.7790 7.6912 114.3736 57.8359 39.8752 174.0725 59 S 4.6831 7.5506 114.3960 57.9285 63.8862 174.4450 60 Q 4.1014 7.1873 120.5238 56.1497 30.4632 178.3751 61 K 4.2823 8.3611 134.1808 56.7949 32.7296 175.0050 62 N 4.3004 8.7611 127.6208 53.6503 39.6945 174.3186 63 V 4.5894 8.5320 118.3784 59.3432 36.7909 174.7954 64 A 4.3711 8.3892 124.5454 52.1847 19.2573 178.3217 65 C 4.7340 8.6108 118.5393 55.5648 41.5398 175.1812 66 K 3.7976 8.7003 122.9349 59.6111 31.6954 177.5278 67 N 4.5052 7.9996 113.1320 53.2792 37.6125 175.6485 68 G 3.9534 8.0068 108.2215 45.3993 0.0000 174.1451 69 Q 4.1907 8.5950 119.4955 56.3475 29.1997 176.6959 70 T 4.5293 8.2850 108.1256 61.6994 69.4246 174.0154 71 N 4.9744 7.8639 119.5430 53.6848 38.7549 175.0147 72 C 5.2733 7.5103 115.1836 56.8773 43.9944 172.6481 73 Y 5.1527 9.0274 118.7674 56.3996 42.0704 173.8952 74 Q 5.0434 9.1204 125.2619 54.1641 31.3027 174.8915 75 S 4.3969 8.7915 121.9526 58.6220 63.2278 174.2396 76 Y 4.5249 9.2347 121.8072 60.8582 37.9112 176.6469 77 S 5.0271 7.8491 113.8206 56.9595 65.1361 174.4886 78 T 4.1659 8.2600 111.8884 61.9583 69.8731 173.6786 79 M 5.0268 9.1823 122.2749 53.3375 36.8207 174.7577 80 S 4.8330 9.4016 117.4935 58.4559 63.6095 173.1125 81 I 5.1136 9.0459 120.3779 59.5861 41.9471 174.1375 82 T 5.0601 8.8006 118.1178 62.0241 72.3242 172.9750 83 D 4.9671 9.3290 127.2341 53.3156 42.8980 174.7648 84 C 5.5235 9.5385 121.4280 55.1854 43.5717 172.9969 85 R 5.1862 8.7274 123.7712 54.1213 33.0653 173.9018 86 E 4.0922 9.4125 128.5066 56.6191 29.8220 176.9119 87 T 4.2135 8.5517 116.9329 60.9959 69.7521 175.6375 88 G 3.6782 8.5171 110.3673 47.5012 0.0000 174.5354 89 S 4.5670 7.2399 112.4872 57.7785 63.7103 174.4560 90 S 4.1863 7.3905 116.0318 58.4426 62.7673 173.5515 91 K 4.5720 8.2493 125.5780 54.6877 35.8963 175.4128 92 Y 4.3318 8.6648 125.2019 57.2051 39.2010 174.1695 93 P 3.0665 0.0000 0.0000 63.4806 31.9670 176.9285 94 N 4.6006 7.5082 118.7174 52.1456 37.0262 171.9405 95 C 4.5021 8.2801 117.9910 56.3352 42.6090 172.9146 96 A 5.0784 8.8544 126.7515 50.3265 21.1537 174.7438 97 Y 5.1864 9.5983 119.4756 56.0185 42.1369 174.8102 98 K 4.5722 9.0582 123.6479 55.3914 34.2063 175.0907 99 T 4.9069 8.5905 124.1973 62.7132 70.1929 174.2971 100 T 4.6031 8.6910 122.4863 61.8224 71.9813 173.5686 101 Q 4.7033 8.8411 125.4585 56.0257 29.9786 175.0572 102 A 4.5423 8.5896 122.1868 51.4648 23.6308 175.2826 103 N 5.7628 8.5859 115.4129 50.6998 41.3166 174.0365 104 K 4.7362 8.2696 121.9565 54.8486 37.7658 175.2609 105 H 4.8973 9.3523 119.0842 55.7682 29.9551 175.0177 106 I 4.8246 8.5432 115.2677 59.2482 40.7963 174.4136 107 I 4.8832 8.3124 124.5028 59.7503 40.0628 175.0743 108 V 4.8122 8.6929 119.5109 59.3383 36.1814 174.3775 109 A 5.0268 8.7550 124.8539 51.0348 20.6050 175.6840 110 C 5.0871 8.5135 119.5868 55.3032 38.5715 172.9233 111 E 4.6465 8.7202 121.0070 56.8103 33.8859 175.7369 112 G 3.9583 9.0787 110.8474 44.7887 0.0000 171.6333 113 N 4.9934 8.2534 116.0625 50.6125 40.6599 172.2515 114 P 4.3037 0.0000 0.0000 62.8885 31.8670 175.8988 115 Y 5.0949 8.3064 121.5703 57.2300 38.5917 174.4791 116 V 4.4282 8.0013 119.4843 58.2223 36.7233 173.3713 117 P 4.4626 0.0000 0.0000 62.9207 31.1887 177.0659 118 V 4.4651 8.7161 115.1883 61.1025 33.7553 175.1546 119 H 4.9636 7.8002 119.8235 54.9981 33.4445 171.8206 120 F 4.6628 8.7430 128.2092 57.2419 39.3095 174.5849 121 D 4.5224 8.6416 127.5097 56.2703 41.8602 175.7825 122 A 4.5434 6.3983 117.6769 51.6201 22.3990 174.7342 123 S 5.1400 8.8820 113.3996 56.6882 65.7249 174.7522 124 V 4.1455 9.0403 116.0387 61.5340 32.2961 175.4638 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 K 8.31 4.22 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 2 E 8.64 3.82 0.00 2.13 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 0.00 2.40 2.38 0.00 3 T 8.77 4.23 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 4 A 8.54 3.99 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 5 A 8.00 4.14 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 6 A 8.26 4.02 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 7 K 8.39 4.13 0.00 1.95 2.04 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.32 7.81 8 F 8.42 4.14 0.00 3.27 3.26 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 9 E 8.34 4.00 0.00 2.31 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 0.00 2.53 2.69 0.00 10 R 7.97 3.86 0.00 1.81 2.09 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 8.11 4.00 0.00 1.60 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 12 H 8.07 4.67 0.00 1.97 2.64 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 13 M 7.85 4.65 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 14 D 8.87 4.75 0.00 2.70 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 15 S 8.85 4.40 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 16 S 7.67 4.30 0.00 3.98 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 17 T 7.08 4.37 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 1.10 0.00 0.00 *22 S 8.57 4.24 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 23 S 8.73 4.36 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.77 0.00 2.85 2.83 0.00 0.00 6.66 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.92 4.01 0.00 3.20 2.98 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 26 C 8.51 4.18 0.00 3.14 3.05 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 27 N 8.21 4.44 0.00 3.05 2.93 0.00 0.00 7.14 7.74 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 28 Q 7.88 3.81 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 29 M 7.73 3.74 0.00 0.85 1.34 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 0.00 30 M 8.20 4.07 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 31 K 7.78 4.12 0.00 1.98 1.91 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 8.04 4.17 0.00 4.02 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 33 R 7.69 4.42 0.00 1.93 2.12 0.00 3.62 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 34 N 7.88 4.22 0.00 2.89 2.91 0.00 0.00 6.79 7.98 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 35 L 8.20 4.64 0.00 1.81 1.63 0.81 0.75 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 36 T 7.53 5.02 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 1.42 0.00 0.00 37 K 7.75 3.93 0.00 1.77 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.52 7.81 38 D 7.92 4.63 0.00 2.63 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 39 R 7.22 4.00 0.00 1.77 1.72 0.00 2.88 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 40 C 8.51 4.84 0.00 3.07 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 41 K 8.62 4.15 0.00 1.88 1.80 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.42 7.81 42 P 0.00 4.69 0.00 2.14 2.11 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.55 5.02 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 8.98 4.73 0.00 2.63 2.25 0.00 0.00 6.85 8.06 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 45 T 7.76 4.81 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 0.94 0.00 0.00 46 F 8.88 4.87 0.00 3.01 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 47 V 9.18 4.48 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 1.05 0.00 0.00 1.01 0.00 0.00 48 H 9.11 5.63 0.00 3.17 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.13 4.32 0.00 2.01 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 2.36 2.28 0.00 50 S 8.30 4.36 0.00 4.07 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 51 L 8.57 3.99 0.00 1.83 1.75 1.02 1.20 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 52 A 7.98 4.00 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 53 D 7.92 4.33 0.00 2.85 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 54 V 7.90 3.79 2.30 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 1.24 0.00 0.00 1.09 0.00 0.00 55 Q 8.68 3.95 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 56 A 8.06 4.05 1.39 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 0.00 0.00 57 V 7.63 3.45 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 0.99 0.00 0.00 0.99 0.00 0.00 58 C 7.69 3.78 0.00 2.87 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 59 S 7.55 4.68 0.00 3.91 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 60 Q 7.19 4.10 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.03 0.00 0.00 0.00 0.00 0.00 1.71 2.13 0.00 61 K 8.36 4.28 0.00 2.04 1.88 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 62 N 8.76 4.30 0.00 2.73 2.64 0.00 0.00 6.99 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 63 V 8.53 4.59 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 0.73 0.00 0.00 0.84 0.00 0.00 64 A 8.39 4.37 1.19 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 0.00 0.00 0.00 65 C 8.61 4.73 0.00 3.11 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 66 K 8.70 3.80 0.00 1.75 1.85 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 67 N 8.00 4.51 0.00 2.83 2.89 0.00 0.00 6.31 7.00 0.00 0.00 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 8.01 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 0.00 0.00 0.00 69 Q 8.60 4.19 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 70 T 8.28 4.53 4.19 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 1.18 0.00 0.00 71 N 7.86 4.97 0.00 3.09 3.17 0.00 0.00 6.12 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 72 C 7.51 5.27 0.00 3.01 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 73 Y 9.03 5.15 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.12 5.04 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.79 4.40 0.00 3.92 3.86 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 76 Y 9.23 4.52 0.00 3.01 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 77 S 7.85 5.03 0.00 3.80 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 78 T 8.26 4.17 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 1.02 0.00 0.00 79 M 9.18 5.03 0.00 1.95 2.00 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 2.53 2.48 0.00 80 S 9.40 4.83 0.00 3.91 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 81 I 9.05 5.11 1.94 0.00 0.00 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 1.38 0.81 0.97 0.00 0.00 82 T 8.80 5.06 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 1.29 0.00 0.00 83 D 9.33 4.97 0.00 2.61 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 84 C 9.54 5.52 0.00 2.85 2.87 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 0.00 0.00 0.00 85 R 8.73 5.19 0.00 1.85 1.78 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 86 E 9.41 4.09 0.00 1.88 1.77 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 2.14 1.96 0.00 87 T 8.55 4.21 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 1.20 0.00 0.00 88 G 8.52 3.68 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 89 S 7.24 4.57 0.00 3.91 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 90 S 7.39 4.19 0.00 3.85 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 91 K 8.25 4.57 0.00 1.91 1.64 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.36 7.81 92 Y 8.66 4.33 0.00 2.88 2.87 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 0.00 0.00 0.00 93 P 0.00 3.07 0.00 1.78 1.22 0.00 3.63 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 94 N 7.51 4.60 0.00 2.88 2.76 0.00 0.00 6.93 8.92 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 95 C 8.28 4.50 0.00 3.15 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 96 A 8.85 5.08 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 97 Y 9.60 5.19 0.00 2.90 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 98 K 9.06 4.57 0.00 1.91 1.85 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.50 7.81 99 T 8.59 4.91 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 1.30 0.00 0.00 100 T 8.69 4.60 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 1.23 0.00 0.00 101 Q 8.84 4.70 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 102 A 8.59 4.54 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 0.00 103 N 8.59 5.76 0.00 2.56 2.74 0.00 0.00 7.05 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 0.00 104 K 8.27 4.74 0.00 1.70 1.86 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 H 9.35 4.90 0.00 3.16 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.54 4.82 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 1.12 0.00 0.00 107 I 8.31 4.88 1.68 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 1.15 0.70 0.80 0.00 0.00 108 V 8.69 4.81 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 0.67 0.00 0.00 0.79 0.00 0.00 109 A 8.75 5.03 1.23 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 0.00 0.00 110 C 8.51 5.09 0.00 2.11 1.73 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 0.00 111 E 8.72 4.65 0.00 1.98 1.68 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 2.20 2.29 0.00 112 G 9.08 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 0.00 113 N 8.25 4.99 0.00 2.66 2.70 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.30 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.31 5.09 0.00 2.83 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 0.00 116 V 8.00 4.43 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 0.72 0.00 0.00 0.88 0.00 0.00 117 P 0.00 4.46 0.00 0.49 1.05 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 118 V 8.72 4.47 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 0.57 0.00 0.00 0.93 0.00 0.00 119 H 7.80 4.96 0.00 3.27 3.11 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 0.00 120 F 8.74 4.66 0.00 2.72 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 0.00 121 D 8.64 4.52 0.00 2.61 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 0.00 122 A 6.40 4.54 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 0.00 123 S 8.88 5.14 0.00 3.97 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 0.00 124 V 9.04 4.15 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.