NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2730 8.1849 120.6321 53.6906 43.2160 176.5537 8 P 4.2774 0.0000 0.0000 61.0492 32.0302 173.5055 9 P 4.2480 0.0000 0.0000 64.7386 32.7952 176.1180 10 G 3.7953 9.2365 109.9987 44.6403 0.0000 172.6191 11 W 5.0467 7.6457 120.0235 55.2795 30.2735 175.7314 12 E 4.7561 10.0167 125.6995 54.1674 30.9583 175.4756 13 K 4.1719 9.0595 125.6704 57.3905 32.8407 175.1877 14 A 4.4652 7.8482 125.0204 50.9516 23.0981 174.3622 15 M 4.7602 8.0997 118.5389 53.6323 34.8353 175.3712 16 S 4.6007 8.7693 119.7886 58.3213 63.1887 174.4644 17 R 3.9137 9.1482 128.3052 59.7347 30.1633 177.5851 18 S 4.3150 8.2136 111.1296 60.2675 62.7799 174.5630 19 S 4.4937 8.3433 112.9228 57.9339 64.5360 175.1598 20 G 3.8268 8.4552 107.0747 45.1494 0.0000 172.7511 21 R 4.2632 7.8480 121.2165 55.0357 30.8297 176.0285 22 V 4.1436 8.6897 127.5853 63.6768 31.8472 174.4915 23 Y 5.1082 8.7176 128.1190 56.7430 41.7220 173.8951 24 Y 5.3261 8.8386 113.3611 57.0476 43.3006 173.9893 25 F 5.4095 9.7664 124.7792 56.8049 43.4111 172.5015 26 N 5.2597 7.6881 125.2337 51.0789 39.5826 175.0219 27 H 4.2662 8.3775 121.4355 56.8038 29.4514 176.2393 28 I 3.9718 7.7217 121.9095 63.7668 37.7086 177.1635 29 T 3.9381 7.5874 108.8147 61.6331 69.2524 175.2768 30 N 3.6941 7.8595 117.8991 53.4684 37.2262 173.4901 31 A 4.1979 7.8948 120.6884 52.5427 19.6182 177.4017 32 S 5.6527 8.6209 116.2902 56.8421 65.5496 173.5862 33 Q 4.4900 9.0131 120.7108 54.7140 31.8451 176.1908 34 W 4.4825 8.9609 121.0089 60.0503 29.5521 177.4010 35 E 4.3135 8.1548 115.7342 55.8394 29.5588 176.7570 36 R 2.6341 8.2520 121.5503 55.0020 30.7275 174.8138 37 P 3.7103 0.0000 0.0000 63.7235 31.7662 176.2407 38 S 3.9972 8.0665 115.9467 58.2680 61.9855 169.1570 *51 E 4.1097 8.3989 121.8002 55.4239 30.1968 173.8417 52 P 4.5648 0.0000 0.0000 61.8842 32.5569 176.0392 53 A 4.2613 8.7596 123.1869 54.9156 18.5891 177.7168 54 R 4.9564 7.6752 111.7932 54.5912 34.0008 175.5231 55 V 4.3602 8.1128 114.2224 59.4360 35.8314 174.2791 56 R 4.8907 8.7148 122.3707 54.9081 32.9257 174.2485 57 C 4.7046 8.7160 121.6300 58.5802 32.8713 172.9652 58 S 5.6325 8.6468 117.1290 57.6479 66.1171 172.3548 59 H 5.9853 8.8470 113.5172 56.0812 32.4418 172.4825 60 L 4.7108 8.7044 120.4284 53.3130 45.0356 174.3977 61 L 4.9733 8.4649 128.3589 53.2992 44.8796 174.9191 62 V 4.7288 8.5482 126.1278 61.0205 33.6960 175.3245 63 K 4.7605 9.5400 128.6644 56.6086 33.6266 175.3291 64 H 4.9140 8.5506 115.6844 54.7852 31.3306 174.2763 65 S 4.3749 8.4486 113.1692 61.1434 63.0165 175.0932 66 Q 4.3860 8.1936 117.2088 55.8449 28.8611 176.0869 67 S 4.1430 7.5917 115.0759 58.3783 63.5102 174.3354 68 R 3.9830 9.1168 125.3452 59.1512 29.7496 177.4785 69 R 4.4621 7.4882 120.4692 53.3625 29.8238 174.4811 70 P 4.6097 0.0000 0.0000 60.8723 30.3941 176.9019 71 S 4.3670 7.4517 109.0446 58.5953 65.5582 173.6567 72 S 4.6411 8.4414 120.6371 56.8713 65.7377 174.3559 73 W 4.3631 8.8314 116.3696 59.8778 27.9939 177.6866 74 R 3.2341 6.4994 117.1178 58.3949 29.7762 176.9790 75 Q 4.4232 7.3501 116.0266 54.8445 32.5287 174.1531 76 E 3.8175 9.0260 127.1018 58.6086 30.0374 176.1900 77 K 4.6143 7.7483 118.1117 54.3634 33.9855 175.0748 78 I 4.2177 9.4375 128.4619 60.7785 37.8611 175.8043 79 T 4.5673 8.2622 113.0503 60.8015 70.7492 174.5240 80 R 4.1583 7.9260 119.3366 56.8344 29.8719 176.0483 81 T 4.5944 8.4846 110.5199 60.7174 71.5242 175.6842 82 K 3.6554 8.5210 122.2206 59.9441 32.0225 178.4221 83 E 4.0008 8.0753 118.9831 59.0661 29.5582 178.5424 84 E 3.8943 8.2523 118.3426 59.1941 29.6234 178.7230 85 A 3.9249 8.1045 121.1733 55.5695 18.3660 179.5535 86 L 3.9559 7.9004 118.3348 58.0308 42.0881 178.9920 87 E 3.9266 7.9559 118.3927 59.0063 29.3752 179.0492 88 L 3.5096 7.9258 119.2060 57.8766 41.7323 179.6648 89 I 3.7703 7.5611 119.4426 64.4349 36.9910 178.3772 90 N 4.4125 8.1565 117.4788 56.0893 38.3018 177.2842 91 G 3.6593 7.9287 107.2418 48.3497 0.0000 174.9401 92 Y 4.4432 7.4801 119.5699 60.9434 38.1061 179.2635 93 I 3.9021 8.4342 120.4612 63.8556 37.0026 178.5370 94 Q 4.0878 7.9487 119.2141 58.6565 28.8979 178.2952 95 K 4.0051 8.3123 119.6607 59.4725 31.8640 179.5245 96 I 4.0676 7.9847 121.3859 63.9924 36.8892 178.6592 97 K 4.0670 7.8043 117.7582 59.4563 31.9548 179.2912 98 S 4.3627 8.3149 113.8944 59.7223 63.2383 175.2095 99 G 4.0812 7.6799 109.3490 45.4686 0.0000 174.0787 100 E 4.1605 7.6451 118.1377 57.5409 29.3693 175.2958 101 E 4.7347 8.4179 117.0515 55.2281 34.2561 173.1504 102 D 4.9874 8.2163 119.0454 51.1969 43.3473 176.7773 103 F 4.0592 8.7101 121.0910 61.7849 39.3202 177.0014 104 E 3.8676 8.2886 117.5547 59.1924 29.4295 179.1936 105 S 3.9702 8.2989 113.1712 61.3739 62.5652 176.1773 106 L 3.8972 7.7219 121.3581 57.7530 41.3537 179.3645 107 A 3.7776 8.1364 120.9386 55.1583 17.9602 179.8412 108 S 4.1716 7.8191 112.7701 61.7966 62.9585 176.5126 109 Q 4.0318 7.4019 118.8923 57.4866 28.6570 176.8435 110 F 4.9664 7.9397 115.9593 57.3174 41.1805 176.0432 111 S 4.3956 7.8545 115.4704 58.6823 62.5279 173.3655 112 D 4.5038 8.9496 126.0238 54.3297 41.0956 176.1970 113 C 4.6269 8.1852 121.2116 58.0806 32.5349 174.5585 114 S 4.3750 8.6424 119.2410 60.3395 62.8863 174.9848 115 S 4.3581 8.1039 115.0928 58.7173 63.6897 175.4061 116 A 3.9948 8.4202 126.3590 55.5806 18.0387 179.7929 117 K 3.9721 7.7798 111.1739 58.2961 32.9555 177.0160 118 A 4.6014 8.0637 123.6356 51.7796 19.5117 176.3892 119 R 3.7721 8.6534 115.0568 58.9296 27.7136 178.7262 120 G 4.3617 8.1853 105.9722 46.3825 0.0000 173.8869 121 D 4.6694 7.7414 118.0931 54.1106 41.5221 175.8166 122 L 4.5916 8.2556 122.8518 53.3844 43.4195 177.6384 123 G 3.9173 8.6135 107.6661 44.1458 0.0000 173.1160 124 A 4.3816 8.1942 120.1529 52.1662 19.0767 176.9319 125 F 5.0887 8.3170 114.0077 55.8311 42.1952 173.2736 126 S 5.7065 9.3792 114.8235 55.3866 66.5054 173.4258 127 R 4.0800 8.4756 119.0910 57.1716 30.0144 176.7602 128 G 3.9917 9.3231 110.5441 45.8467 0.0000 174.8372 129 Q 4.2556 7.7204 117.3504 57.1664 29.6446 175.8814 130 M 4.3785 7.5344 115.3127 52.9916 34.4267 175.8636 131 Q 3.9135 8.3367 117.9460 56.8122 30.3461 178.8862 132 K 4.1039 8.7082 124.5616 58.8946 32.3377 177.5125 133 P 4.2395 0.0000 0.0000 65.4120 31.3087 178.0147 134 F 3.9173 8.3367 119.0526 61.4670 39.2001 176.6386 135 E 4.3240 8.8548 119.1055 59.6138 29.2644 178.5305 136 D 4.4137 8.5457 117.9636 57.1270 41.0835 178.3919 137 A 4.0551 8.2578 121.3982 55.3829 18.2375 179.6005 138 S 4.0546 8.6466 113.3891 62.0394 63.1104 176.7311 139 F 4.1560 8.5882 117.7887 59.0068 38.9548 177.0710 140 A 4.2987 7.6886 119.1606 52.6172 19.1548 177.7415 141 L 4.2601 7.3408 117.4439 54.4399 42.6958 177.1831 142 R 4.2278 9.4866 119.7304 55.2446 30.5215 176.0276 143 T 3.9105 8.1897 115.4824 65.5740 68.4620 174.6125 144 G 3.9962 9.2678 115.5131 44.9377 0.0000 172.9582 145 E 4.3663 8.0084 121.6215 55.5314 31.0575 174.8764 146 M 4.8089 8.4651 126.5912 54.6344 33.6050 175.8158 147 S 4.3420 9.0925 121.2646 57.9741 64.8141 173.3618 148 G 4.1201 8.3354 108.5375 43.1768 0.0000 171.0142 149 P 4.5588 0.0000 0.0000 62.7893 32.2717 176.0085 150 V 4.5686 8.4156 123.3955 61.1162 34.1421 173.9058 151 F 5.3950 9.3219 126.5253 56.2614 40.9862 175.0891 152 T 4.8410 8.7195 111.9124 60.1667 72.0699 174.1675 153 D 4.5018 8.6467 119.4544 57.1134 41.0326 179.1752 154 S 4.1303 8.0427 115.5043 59.5087 63.6272 175.1475 155 G 3.6890 6.3550 106.8736 45.4291 0.0000 170.6411 156 I 4.8188 7.4041 121.0626 59.8043 40.3197 174.8427 157 H 5.4793 8.9440 121.8304 54.0960 33.0274 173.0180 158 I 4.4295 8.5616 121.4615 59.9312 39.6097 174.5349 159 I 4.7370 8.4468 128.8838 59.6212 39.3949 174.8613 160 L 4.7118 8.2690 128.5421 53.0025 44.4281 175.1309 161 R 4.6662 8.4121 128.1118 56.3846 30.4706 176.7182 162 T 4.2680 9.8588 116.8910 62.5950 70.5951 174.8812 163 E 4.1770 7.6861 126.6943 56.8433 30.5615 174.6512 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 7 L 8.18 4.27 0.00 1.75 1.79 1.23 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.28 0.00 2.37 2.01 0.00 3.47 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 9 P 0.00 4.25 0.00 2.08 2.05 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 10 G 9.24 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 11 W 7.65 5.05 0.00 3.37 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 12 E 10.02 4.76 0.00 2.02 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 0.00 2.52 2.29 0.00 13 K 9.06 4.17 0.00 1.93 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.03 7.81 14 A 7.85 4.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.10 4.76 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 16 S 8.77 4.60 0.00 4.83 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 17 R 9.15 3.91 0.00 1.85 1.99 0.00 3.35 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 18 S 8.21 4.32 0.00 3.91 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 19 S 8.34 4.49 0.00 3.99 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 20 G 8.46 3.83 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 0.00 0.00 0.00 21 R 7.85 4.26 0.00 1.70 1.84 0.00 2.74 0.00 0.00 2.76 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 22 V 8.69 4.14 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 0.71 0.00 0.00 0.92 0.00 0.00 23 Y 8.72 5.11 0.00 2.97 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.84 5.33 0.00 3.14 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 25 F 9.77 5.41 0.00 3.25 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 26 N 7.69 5.26 0.00 1.44 1.47 0.00 0.00 6.83 7.23 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 27 H 8.38 4.27 0.00 3.38 3.63 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.72 3.97 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 0.89 0.00 0.00 29 T 7.59 3.94 4.07 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 0.00 0.00 0.00 1.04 0.00 0.00 30 N 7.86 3.69 0.00 2.95 2.95 0.00 0.00 6.70 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 31 A 7.89 4.20 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 32 S 8.62 5.65 0.00 3.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.01 4.49 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 34 W 8.96 4.48 0.00 3.38 3.35 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 35 E 8.15 4.31 0.00 1.92 1.90 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 2.36 2.47 0.00 36 R 8.25 2.63 0.00 1.63 1.60 0.00 3.21 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.00 37 P 0.00 3.71 0.00 1.40 0.95 0.00 2.28 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.44 0.00 38 S 8.07 4.00 0.00 3.91 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 *51 E 8.40 4.11 0.00 2.02 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 2.43 2.48 0.00 52 P 0.00 4.56 0.00 2.32 2.00 0.00 3.88 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 1.86 1.87 0.00 53 A 8.76 4.26 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 54 R 7.68 4.96 0.00 1.57 1.68 0.00 3.16 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 55 V 8.11 4.36 1.57 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 -0.07 0.00 0.00 -0.31 0.00 0.00 56 R 8.71 4.89 0.00 1.68 1.71 0.00 3.13 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 57 C 8.72 4.70 0.00 3.21 2.92 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 0.00 0.00 0.00 58 S 8.65 5.63 0.00 4.10 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 59 H 8.85 5.99 0.00 3.65 3.77 0.00 5.49 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.70 4.71 0.00 1.43 1.58 0.50 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.46 4.97 0.00 1.66 1.44 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.55 4.73 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 0.93 0.00 0.00 1.12 0.00 0.00 63 K 9.54 4.76 0.00 1.58 1.68 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.45 7.81 64 H 8.55 4.91 0.00 3.42 3.41 0.00 5.45 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.45 4.37 0.00 4.06 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 0.00 66 Q 8.19 4.39 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 67 S 7.59 4.14 0.00 3.98 3.76 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 68 R 9.12 3.98 0.00 1.87 1.97 0.00 3.26 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 69 R 7.49 4.46 0.00 1.76 1.79 0.00 3.30 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.61 0.00 2.25 2.22 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.45 4.37 0.00 3.79 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 72 S 8.44 4.64 0.00 4.03 3.87 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 73 W 8.83 4.36 0.00 3.48 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 74 R 6.50 3.23 0.00 1.36 1.58 0.00 2.95 0.00 0.00 2.84 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.35 4.42 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 76 E 9.03 3.82 0.00 1.97 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 2.29 2.30 0.00 77 K 7.75 4.61 0.00 1.72 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.41 7.81 78 I 9.44 4.22 1.90 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 1.40 0.76 0.88 0.00 0.00 79 T 8.26 4.57 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 1.25 0.00 0.00 80 R 7.93 4.16 0.00 2.09 2.10 0.00 3.26 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 81 T 8.48 4.59 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 82 K 8.52 3.66 0.00 1.56 1.82 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.54 7.81 83 E 8.08 4.00 0.00 2.07 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 2.38 2.40 0.00 84 E 8.25 3.89 0.00 2.32 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 2.29 2.30 0.00 85 A 8.10 3.92 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.90 3.96 0.00 1.98 1.92 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.96 3.93 0.00 1.98 1.88 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 2.29 2.44 0.00 88 L 7.93 3.51 0.00 1.65 1.28 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.56 3.77 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 1.63 0.79 0.92 0.00 0.00 90 N 8.16 4.41 0.00 2.76 2.84 0.00 0.00 6.86 7.77 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 91 G 7.93 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 0.00 0.00 0.00 92 Y 7.48 4.44 0.00 3.17 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 93 I 8.43 3.90 2.08 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 1.61 1.31 0.96 0.00 0.00 94 Q 7.95 4.09 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 95 K 8.31 4.01 0.00 1.90 1.95 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 96 I 7.98 4.07 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 1.03 0.00 0.00 97 K 7.80 4.07 0.00 2.09 1.94 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.51 7.81 98 S 8.31 4.36 0.00 4.05 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 0.00 99 G 7.68 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 0.00 100 E 7.65 4.16 0.00 2.01 2.02 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 2.37 2.33 0.00 101 E 8.42 4.73 0.00 2.08 1.85 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 2.31 2.51 0.00 102 D 8.22 4.99 0.00 2.91 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 0.00 103 F 8.71 4.06 0.00 3.23 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 0.00 104 E 8.29 3.87 0.00 2.14 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 0.00 2.49 2.61 0.00 105 S 8.30 3.97 0.00 3.89 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 0.00 106 L 7.72 3.90 0.00 1.59 1.47 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.14 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.82 4.17 0.00 3.97 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 0.00 109 Q 7.40 4.03 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 110 F 7.94 4.97 0.00 2.65 2.77 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 0.00 111 S 7.85 4.40 0.00 3.81 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 0.00 112 D 8.95 4.50 0.00 2.70 2.61 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 0.00 0.00 0.00 0.00 113 C 8.19 4.63 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 4.37 0.00 4.02 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 0.00 115 S 8.10 4.36 0.00 4.08 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 0.00 116 A 8.42 3.99 1.58 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 0.00 117 K 7.78 3.97 0.00 1.69 1.60 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.30 7.81 118 A 8.06 4.60 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 0.00 119 R 8.65 3.77 0.00 2.01 2.05 0.00 3.27 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 1.54 1.53 0.00 120 G 8.19 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 0.00 0.00 0.00 0.00 121 D 7.74 4.67 0.00 2.75 2.79 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 0.00 122 L 8.26 4.59 0.00 1.94 1.69 0.79 1.00 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 0.00 123 G 8.61 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.19 4.38 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 0.00 125 F 8.32 5.09 0.00 3.20 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 0.00 126 S 9.38 5.71 0.00 3.98 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 0.00 127 R 8.48 4.08 0.00 1.61 1.72 0.00 2.83 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 128 G 9.32 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 0.00 0.00 0.00 129 Q 7.72 4.26 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 130 M 7.53 4.38 0.00 1.66 1.88 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.97 0.00 131 Q 8.34 3.91 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 132 K 8.71 4.10 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.74 7.81 133 P 0.00 4.24 0.00 2.38 2.16 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 134 F 8.34 3.92 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 135 E 8.85 4.32 0.00 2.19 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 0.00 2.31 2.51 0.00 136 D 8.55 4.41 0.00 2.66 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 0.00 137 A 8.26 4.06 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 0.00 138 S 8.65 4.05 0.00 4.37 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 0.00 139 F 8.59 4.16 0.00 2.99 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 0.00 140 A 7.69 4.30 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 0.00 141 L 7.34 4.26 0.00 1.58 1.56 0.85 0.89 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 0.00 142 R 9.49 4.23 0.00 1.94 2.06 0.00 2.78 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 143 T 8.19 3.91 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 1.18 0.00 0.00 144 G 9.27 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 0.00 0.00 0.00 145 E 8.01 4.37 0.00 2.16 1.88 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 2.30 2.30 0.00 146 M 8.47 4.81 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 147 S 9.09 4.34 0.00 4.00 3.75 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 0.00 148 G 8.34 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 0.00 0.00 0.00 149 P 0.00 4.56 0.00 1.98 2.00 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 150 V 8.42 4.57 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 0.99 0.00 0.00 0.92 0.00 0.00 151 F 9.32 5.39 0.00 2.93 3.07 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 0.00 0.00 0.00 0.00 152 T 8.72 4.84 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 1.38 0.00 0.00 153 D 8.65 4.50 0.00 2.76 2.79 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 0.00 154 S 8.04 4.13 0.00 3.87 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 0.00 155 G 6.36 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 0.00 156 I 7.40 4.82 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.59 0.26 0.00 0.00 157 H 8.94 5.48 0.00 3.03 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.56 4.43 2.17 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 1.11 0.00 0.00 159 I 8.45 4.74 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.30 0.78 0.00 0.00 160 L 8.27 4.71 0.00 0.75 0.80 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.41 4.67 0.00 1.86 1.68 0.00 3.07 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 162 T 9.86 4.27 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 1.17 0.00 0.00 163 E 7.69 4.18 0.00 1.92 1.71 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 2.26 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.