NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.5773 8.1727 120.0856 56.4584 33.8235 173.9449 12 L 4.6740 8.6049 127.9537 52.1900 44.4939 173.8997 13 Q 5.0362 8.2907 124.1093 54.4955 29.0380 173.1889 14 F 4.4217 8.4482 126.4791 58.2096 41.3476 174.2928 15 A 4.9311 9.3553 126.7391 50.5095 21.3506 174.8227 16 L 5.2511 8.5228 118.8991 51.3183 46.0775 176.0036 17 P 4.5063 0.0000 0.0000 65.5340 31.3732 176.9670 18 H 4.6917 7.7407 112.5395 56.2370 29.7000 174.8300 19 E 4.6170 7.4187 119.2536 54.8381 32.7467 173.6688 20 T 4.5196 8.3643 122.6790 62.8985 69.8252 174.3592 21 L 4.1426 8.6082 126.2195 56.5612 42.5484 176.3927 22 Y 4.7612 7.6701 115.5944 56.5349 40.8345 175.4488 23 S 4.7428 8.3059 115.9498 57.1506 62.8751 174.0062 24 G 3.9433 8.9698 110.8725 45.6759 0.0000 172.4788 25 S 4.3057 7.9538 118.6296 58.3531 62.9832 178.3598 26 E 4.6964 8.6786 119.6472 55.2992 30.0486 176.6260 27 V 4.6752 8.0641 116.6876 58.9357 35.4474 175.7517 28 T 4.2866 8.6455 119.3919 66.1845 69.3479 175.4185 29 Q 4.7430 7.6062 119.6346 54.9976 32.7445 173.0723 30 V 4.8789 8.2184 124.2182 61.2110 35.0651 173.8389 31 N 5.1679 9.5208 125.7236 52.0239 40.0298 173.6815 32 L 4.6758 8.2699 124.5974 52.4149 44.1803 175.2536 33 P 4.8191 0.0000 0.0000 61.5924 29.8923 175.8836 34 A 4.3472 7.9147 127.8793 51.0061 19.6485 178.5693 35 K 3.7725 8.1061 119.1993 58.7751 32.8645 177.5849 36 S 4.1791 7.5144 114.6076 59.1945 62.0235 174.7989 37 G 4.0632 8.4244 112.8712 44.3124 0.0000 173.0403 38 R 4.3099 8.6264 121.6919 57.3796 29.6882 175.9990 39 I 4.4274 8.2388 119.7052 58.0459 40.3174 175.2398 40 G 4.0310 8.5593 113.3232 45.7073 0.0000 173.1474 41 V 3.8167 9.0842 127.3915 62.3283 32.6093 176.4714 42 L 4.3054 8.3285 128.1714 54.0647 42.9527 176.8466 43 A 4.0912 8.6517 121.5553 55.4643 18.7838 178.7545 44 N 5.0912 7.6539 110.1681 51.8313 38.6117 174.5112 45 H 4.4726 7.7363 117.2498 55.3650 31.3020 174.6204 46 V 3.5435 7.5984 124.4806 61.9020 31.8682 173.5729 47 P 4.8288 0.0000 0.0000 62.9316 31.6455 175.4753 48 T 4.7348 8.4840 113.7006 59.9106 73.0811 173.2927 49 V 4.7701 8.3990 120.9868 61.3635 33.5380 173.9164 50 E 4.9307 8.7481 127.1695 53.9520 33.6074 175.6910 51 Q 3.2842 8.3209 121.2584 55.7996 30.0325 174.5998 52 L 4.9852 8.1232 122.3090 53.0234 43.5011 175.8917 53 L 4.2975 7.9643 125.0987 53.8988 42.1754 174.9365 54 P 3.9524 0.0000 0.0000 62.9254 31.5250 175.4219 55 G 3.9135 7.8275 113.2324 46.2016 0.0000 171.4792 56 V 4.9423 8.6409 123.4517 61.1394 34.0286 176.1792 57 V 4.7229 9.2100 128.4616 60.7351 33.2596 173.7919 58 E 5.0298 8.7568 130.1242 54.9736 31.3945 174.4843 59 V 4.5479 9.1261 127.6494 61.5070 34.2371 174.2224 60 M 4.6975 9.0012 128.7279 53.3883 32.9098 174.8466 61 E 4.0256 8.7588 124.8448 56.5216 29.0639 176.8991 62 G 3.9551 9.3594 115.3012 45.3208 0.0000 171.7183 63 S 4.5541 8.0706 116.0194 56.8335 65.0587 174.0204 64 N 4.3733 7.9263 119.4533 53.9340 39.2145 172.8479 65 S 4.9351 8.4931 118.9544 56.5025 64.4753 173.0677 66 K 4.5305 8.6697 125.7626 54.4251 35.2642 175.2177 67 K 4.9885 8.2658 123.5764 54.5041 35.1466 175.5508 68 F 5.0432 8.9799 122.7948 55.5695 43.0318 173.8149 69 F 5.1522 8.9535 124.0966 57.3252 40.6847 174.1574 70 I 4.4793 7.6970 126.4253 59.4910 39.7867 176.2448 71 S 4.0775 8.1643 122.0160 61.6163 63.0043 173.6936 72 G 3.9449 7.8107 107.0713 44.3073 0.0000 171.4463 73 G 4.5977 7.8343 116.4708 46.7014 0.0000 175.2273 74 F 5.0163 9.1836 122.8973 55.2293 43.1171 172.0022 75 A 5.6223 8.6016 124.3108 49.9183 21.9412 175.9372 76 T 4.8048 8.1157 117.2178 62.1171 73.0797 173.1115 77 V 4.3471 8.8268 128.2996 62.1547 32.7809 175.7314 78 Q 4.6691 9.1784 127.6478 54.0911 30.0506 174.9939 79 P 4.2729 0.0000 0.0000 65.9712 31.3669 176.9825 80 D 4.6619 7.9940 115.7419 54.3415 39.5898 175.9112 81 S 3.7151 7.7728 112.7517 60.7562 61.5021 171.4353 82 Q 4.8145 7.8500 119.5190 54.2761 31.5942 173.5742 83 L 4.9486 8.5780 128.2948 53.8994 44.4632 174.8768 84 C 4.8551 8.9954 123.7449 58.1141 30.6183 172.4887 85 V 4.6571 7.9009 123.4874 61.0328 33.2626 174.6397 86 T 5.3479 8.5551 116.4063 59.3208 72.8272 172.6935 87 A 4.8531 8.0561 123.1326 51.9612 22.4865 177.3183 88 I 3.8305 8.5403 118.5443 64.0451 37.7593 177.0336 89 E 4.5882 7.9246 118.8831 55.0133 33.1695 174.9225 90 A 5.0965 8.2458 127.1149 49.7884 21.4840 174.5444 *93 L 4.3518 7.9800 117.9522 55.5921 43.2789 176.0404 94 E 4.5326 8.4801 118.4238 57.3156 31.2060 177.1923 95 S 4.3554 8.0857 110.2891 59.1171 63.6266 173.9964 96 F 4.3193 7.9520 121.8661 58.8205 40.4724 175.6094 97 S 4.3180 7.5265 117.8832 58.8007 63.2899 174.0472 *101 I 3.7962 7.8870 118.4784 59.6543 36.4389 174.7011 102 K 4.4928 8.6037 126.4085 54.2082 32.2765 174.9933 103 N 5.0341 8.4853 121.9092 52.9172 40.1185 175.0178 104 L 4.2848 7.8156 117.6243 55.4461 42.0050 177.2794 105 L 4.6993 7.8175 116.5122 54.1523 43.7118 178.0417 106 A 4.4404 7.7211 120.0118 53.1564 19.3285 176.9951 107 E 4.4263 8.0584 113.7738 57.7179 31.5653 177.8438 108 A 4.1968 8.0571 119.3130 54.0631 19.2787 177.7009 109 K 4.4128 7.9690 113.2672 58.0486 34.2180 178.3505 110 K 3.9028 8.4593 118.6546 59.0924 32.1912 177.0850 111 N 4.8804 7.8866 112.8851 53.0917 38.6083 175.4702 112 V 4.1850 7.3701 117.0433 61.6899 31.6613 176.1817 113 S 4.1432 7.6221 115.9747 59.4911 62.5525 172.1140 114 S 4.4338 8.5665 120.0564 59.7156 64.4181 174.3716 *119 E 4.3404 8.1616 115.5765 56.0541 31.3091 176.4827 120 A 4.2919 7.8033 121.4499 53.7466 19.7461 179.0602 121 A 3.9246 8.1624 119.4024 55.3901 17.9439 178.6960 122 E 4.4766 8.0577 109.4962 55.7615 30.6546 180.1460 123 A 4.6118 7.7839 123.2898 52.7401 16.1531 177.8403 124 A 4.7013 7.4194 119.6217 50.8151 21.8811 177.6336 125 I 4.0285 7.4125 117.3128 63.3476 37.5166 178.4770 126 Q 4.1503 8.1819 119.6680 59.0200 28.6395 179.0679 127 V 3.6990 7.8197 110.8776 64.3511 31.8103 178.2345 128 E 4.1335 7.6658 117.3071 58.8344 28.4133 179.1838 129 V 3.9044 7.7310 118.1798 65.9878 31.7609 178.1092 130 L 4.2127 7.8518 118.1629 57.2539 41.3233 178.6384 131 E 3.9312 7.6417 117.9252 59.2795 29.9036 178.1890 132 N 4.7057 7.6241 114.7046 53.4808 37.6212 176.8112 133 L 3.5757 7.3812 122.4155 58.2391 42.1765 178.5021 134 Q 4.0689 7.8891 116.5930 58.4944 28.4599 176.3029 135 S 4.3210 7.9424 120.8709 58.7082 62.9970 173.8252 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 11 K 8.17 4.58 0.00 1.74 1.85 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 L 8.60 4.67 0.00 1.60 1.28 0.81 -0.55 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 13 Q 8.29 5.04 0.00 2.08 2.03 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 2.27 2.33 0.00 14 F 8.45 4.42 0.00 3.31 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 15 A 9.36 4.93 1.20 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 0.00 0.00 16 L 8.52 5.25 0.00 1.67 1.28 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.51 0.00 2.18 2.19 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 18 H 7.74 4.69 0.00 3.22 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.42 4.62 0.00 2.06 1.79 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 2.16 2.25 0.00 20 T 8.36 4.52 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 1.33 0.00 0.00 21 L 8.61 4.14 0.00 1.50 1.35 -0.35 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.67 4.76 0.00 3.19 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 23 S 8.31 4.74 0.00 3.79 3.73 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 24 G 8.97 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 25 S 7.95 4.31 0.00 3.67 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 26 E 8.68 4.70 0.00 1.98 1.78 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 2.22 1.90 0.00 27 V 8.06 4.68 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 0.90 0.00 0.00 28 T 8.65 4.29 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 29 Q 7.61 4.74 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 30 V 8.22 4.88 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 0.98 0.00 0.00 0.86 0.00 0.00 31 N 9.52 5.17 0.00 2.68 2.75 0.00 0.00 6.58 6.64 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 32 L 8.27 4.68 0.00 1.57 1.49 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.82 0.00 2.19 1.97 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 34 A 7.91 4.35 1.24 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 0.00 0.00 0.00 35 K 8.11 3.77 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.36 7.81 36 S 7.51 4.18 0.00 3.71 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 37 G 8.42 4.06 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 0.00 0.00 0.00 38 R 8.63 4.31 0.00 1.61 1.81 0.00 3.23 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 39 I 8.24 4.43 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.98 0.00 0.00 40 G 8.56 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 0.00 0.00 0.00 41 V 9.08 3.82 2.03 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 0.90 0.00 0.00 0.85 0.00 0.00 42 L 8.33 4.31 0.00 1.70 1.64 0.94 0.86 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 43 A 8.65 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 44 N 7.65 5.09 0.00 2.68 2.78 0.00 0.00 7.24 8.16 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 45 H 7.74 4.47 0.00 3.13 3.21 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.60 3.54 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 0.80 0.00 0.00 0.86 0.00 0.00 47 P 0.00 4.83 0.00 1.95 2.10 0.00 3.68 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 48 T 8.48 4.73 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 1.30 0.00 0.00 49 V 8.40 4.77 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 0.97 0.00 0.00 0.95 0.00 0.00 50 E 8.75 4.93 0.00 1.82 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 2.21 2.22 0.00 51 Q 8.32 3.28 0.00 1.56 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 52 L 8.12 4.99 0.00 1.46 1.49 0.76 0.27 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 53 L 7.96 4.30 0.00 1.54 1.59 0.88 0.89 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 54 P 0.00 3.95 0.00 1.94 1.95 0.00 3.73 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 55 G 7.83 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 0.00 0.00 0.00 56 V 8.64 4.94 2.16 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 0.94 0.00 0.00 1.11 0.00 0.00 57 V 9.21 4.72 2.47 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 1.58 0.00 0.00 1.07 0.00 0.00 58 E 8.76 5.03 0.00 2.12 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 2.33 2.30 0.00 59 V 9.13 4.55 2.27 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 0.69 0.00 0.00 1.07 0.00 0.00 60 M 9.00 4.70 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 61 E 8.76 4.03 0.00 2.00 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 2.54 2.48 0.00 62 G 9.36 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 63 S 8.07 4.55 0.00 3.78 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 64 N 7.93 4.37 0.00 2.77 2.70 0.00 0.00 6.50 7.48 0.00 0.00 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 S 8.49 4.94 0.00 3.89 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 66 K 8.67 4.53 0.00 1.99 1.48 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.37 7.81 67 K 8.27 4.99 0.00 1.48 1.64 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.37 7.81 68 F 8.98 5.04 0.00 2.91 2.85 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 69 F 8.95 5.15 0.00 3.19 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 70 I 7.70 4.48 1.90 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 1.13 1.47 0.77 0.00 0.00 71 S 8.16 4.08 0.00 4.22 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 72 G 7.81 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 73 G 7.83 4.60 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 0.00 0.00 0.00 74 F 9.18 5.02 0.00 2.92 2.84 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 75 A 8.60 5.62 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 76 T 8.12 4.80 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 77 V 8.83 4.35 2.21 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 0.99 0.00 0.00 0.99 0.00 0.00 78 Q 9.18 4.67 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.49 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 79 P 0.00 4.27 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.70 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 80 D 7.99 4.66 0.00 2.78 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 81 S 7.77 3.72 0.00 4.01 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 82 Q 7.85 4.81 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 83 L 8.58 4.95 0.00 1.79 1.45 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.00 4.86 0.00 2.96 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 85 V 7.90 4.66 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 0.27 0.00 0.00 0.66 0.00 0.00 86 T 8.56 5.35 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 1.18 0.00 0.00 87 A 8.06 4.85 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 88 I 8.54 3.83 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.95 0.00 0.00 89 E 7.92 4.59 0.00 2.04 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 2.51 2.40 0.00 90 A 8.25 5.10 1.07 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 0.00 0.00 *93 L 7.98 4.35 0.00 1.78 1.83 0.94 0.94 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 94 E 8.48 4.53 0.00 2.18 1.84 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 2.25 2.30 0.00 95 S 8.09 4.36 0.00 4.01 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 96 F 7.95 4.32 0.00 3.07 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 97 S 7.53 4.32 0.00 4.19 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 *101 I 7.89 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.91 0.00 0.00 102 K 8.60 4.49 0.00 1.68 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.42 7.81 103 N 8.49 5.03 0.00 2.77 2.75 0.00 0.00 7.09 6.74 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 0.00 104 L 7.82 4.28 0.00 1.64 1.68 0.92 0.92 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 0.00 105 L 7.82 4.70 0.00 1.70 1.63 0.90 0.72 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 0.00 106 A 7.72 4.44 1.29 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 0.00 0.00 107 E 8.06 4.43 0.00 1.96 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 2.25 2.26 0.00 108 A 8.06 4.20 1.29 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 0.00 0.00 109 K 7.97 4.41 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.33 7.81 110 K 8.46 3.90 0.00 1.79 2.00 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 111 N 7.89 4.88 0.00 3.04 2.79 0.00 0.00 6.75 7.56 0.00 0.00 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 V 7.37 4.18 2.32 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 0.68 0.00 0.00 0.93 0.00 0.00 113 S 7.62 4.14 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 0.00 114 S 8.57 4.43 0.00 3.83 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 *119 E 8.16 4.34 0.00 2.15 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 0.00 2.18 2.32 0.00 120 A 7.80 4.29 1.37 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 0.00 0.00 0.00 121 A 8.16 3.92 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 0.00 122 E 8.06 4.48 0.00 1.90 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 2.23 1.85 0.00 123 A 7.78 4.61 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 0.00 124 A 7.42 4.70 1.24 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 0.00 0.00 0.00 125 I 7.41 4.03 1.89 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 1.31 1.11 0.93 0.00 0.00 126 Q 8.18 4.15 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 127 V 7.82 3.70 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 0.94 0.00 0.00 0.99 0.00 0.00 128 E 7.67 4.13 0.00 2.07 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 0.00 2.36 2.42 0.00 129 V 7.73 3.90 2.27 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 1.23 0.00 0.00 1.10 0.00 0.00 130 L 7.85 4.21 0.00 1.73 1.68 0.97 0.80 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 0.00 131 E 7.64 3.93 0.00 2.13 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 2.34 2.34 0.00 132 N 7.62 4.71 0.00 3.01 3.10 0.00 0.00 6.17 6.55 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 0.00 133 L 7.38 3.58 0.00 1.46 1.78 -0.11 0.59 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 0.00 134 Q 7.89 4.07 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 135 S 7.94 4.32 0.00 4.09 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 * Residues marked with a * may have inaccurate shift predictions.