NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.5114 8.3049 118.7933 54.1418 33.4095 174.6954 2 F 4.0964 7.9628 119.2015 58.8579 39.1082 171.7857 3 T 3.4184 8.6149 120.3037 64.0879 65.5435 170.4003 4 I 4.3164 7.8702 126.5797 59.1782 36.3649 174.4968 5 N 4.5865 8.3516 122.1460 54.1558 39.3733 173.6434 6 A 4.7199 8.4551 121.6196 52.0410 23.5136 174.6332 7 E 4.6701 8.7495 113.9800 55.1731 33.1894 175.6562 8 V 4.3307 8.3650 114.4878 61.8728 32.6434 175.2146 9 R 4.6786 8.2283 117.7589 55.3814 32.6671 175.1412 10 K 4.5102 8.4906 116.6426 55.6170 33.2071 176.8259 11 E 3.9952 8.5799 120.7971 59.8243 30.5756 178.4904 12 Q 3.0472 8.7502 115.0238 57.6108 29.0272 173.4861 13 G 4.0958 9.4901 103.3318 46.7924 0.0000 173.8188 14 K 4.3736 8.3299 123.8193 56.6029 32.0518 178.0530 15 G 3.9459 7.8800 104.4833 48.1406 0.0000 175.2992 16 A 4.0372 7.9213 122.1589 54.8920 18.6704 179.3076 17 S 4.0762 8.1215 112.9778 62.0174 63.1542 177.4071 18 R 3.9795 8.4339 119.0232 59.1910 28.6333 178.9487 19 R 4.1130 7.8079 116.4015 58.6784 29.7039 178.7731 20 L 4.0145 8.2322 120.1823 57.6856 41.7560 179.4434 21 R 3.9771 8.0074 115.6768 59.4664 28.8588 178.4001 22 A 4.0150 7.4987 119.0275 54.3815 18.6822 178.7267 23 A 4.5385 7.6448 117.0072 53.2781 20.9580 176.6142 24 N 4.0626 7.9024 114.8005 55.9540 36.9981 173.2760 25 K 4.8488 7.9986 117.2082 54.6755 36.0189 175.0435 26 F 5.0504 9.1775 123.4829 56.1303 42.0621 172.2894 27 P 4.4968 0.0000 0.0000 62.3472 33.5881 173.9143 28 A 4.2747 7.8193 119.2074 52.1221 22.6803 174.5515 29 I 4.6826 7.8770 114.8899 60.3858 42.3791 174.6906 30 I 4.8467 9.0960 129.5467 59.5102 36.9762 174.9253 31 Y 4.6753 9.0984 125.9313 58.2895 39.5458 175.7349 32 G 4.5179 8.1695 102.2275 46.1222 0.0000 174.4053 33 G 3.7362 8.6314 112.0150 48.4233 0.0000 172.2645 34 K 4.4651 7.9646 116.7290 56.5802 32.3480 176.3766 35 E 4.6617 7.7123 117.7588 55.1433 36.2662 174.6804 36 A 4.9889 7.2007 127.5982 51.2382 21.0411 173.8806 37 P 4.8430 0.0000 0.0000 63.0772 32.9480 175.2727 38 L 4.6105 8.6130 120.1828 54.1810 46.1254 173.8187 39 A 5.2316 8.6268 126.5591 50.6037 22.2559 175.1419 40 I 5.1289 7.7847 111.6719 59.8357 41.4356 173.6493 41 E 4.9280 9.1527 122.7561 54.7239 33.3058 173.8764 42 L 4.7776 8.1679 122.7187 55.0759 44.1709 174.0052 43 D 4.8538 8.7577 119.9347 54.6573 41.5283 176.7827 44 H 4.1483 8.5419 119.4888 59.3967 30.0317 177.2060 45 D 4.3912 7.9717 120.1273 56.5416 40.1192 178.3883 46 K 3.7899 8.1172 120.6122 59.7670 32.0525 178.7521 47 V 3.8299 7.5566 118.3292 64.1713 31.5740 177.3970 48 M 3.6205 7.5657 119.1762 58.7179 31.7019 177.6776 49 N 4.1706 7.4932 114.7976 56.9573 39.4666 176.5004 50 M 3.8232 7.1416 120.4886 58.2284 32.0248 178.7346 51 Q 3.1414 7.2271 116.2459 58.1262 28.4326 178.1493 52 A 4.0382 7.1166 123.1215 54.1469 18.4841 178.1214 53 K 4.1785 7.1052 115.3607 56.2190 33.9568 177.9705 54 A 3.9057 8.4755 122.6790 55.0272 19.0148 179.6308 55 E 3.7866 8.3170 115.2281 59.7372 29.6128 178.7651 56 F 4.0354 7.3404 119.5777 61.7821 39.5373 176.0326 57 Y 4.1185 7.9225 117.4419 59.8214 38.4997 176.8258 58 S 4.1587 6.7001 114.3914 60.8074 62.5144 174.3725 59 E 4.3920 8.1958 118.4212 55.1268 30.2617 176.6927 60 V 3.9834 8.0473 120.3214 62.0473 32.6218 174.9448 61 L 4.7810 9.1038 121.8122 53.4743 45.7732 175.7182 62 T 4.5896 8.1306 115.4010 61.6314 70.5018 172.8949 63 I 3.9206 8.3653 127.5746 61.0915 38.7438 175.4420 64 V 4.4903 8.0737 126.2187 61.3194 32.0084 173.8395 65 V 4.3027 8.3655 119.7133 60.1597 33.0974 175.9264 66 D 4.3233 9.6294 124.2757 55.4202 39.5238 173.1402 67 G 3.9801 8.1952 99.4308 46.3058 0.0000 173.8048 68 K 4.4967 8.2315 118.7523 54.0706 35.4606 175.6198 69 E 4.6396 8.8521 124.1097 56.1992 30.4381 176.1298 70 I 4.4951 8.6983 125.7544 59.3778 39.8893 175.0446 71 K 4.7453 8.6131 126.2673 56.1490 33.3196 176.3938 72 V 4.6930 8.4935 115.8868 60.5212 37.2220 173.5720 73 K 4.8350 9.1195 121.5942 54.9743 35.3364 174.9960 74 A 4.6162 8.2497 120.5765 51.5833 21.8337 174.5645 75 Q 4.3232 8.3689 114.1416 57.2296 31.3482 175.2663 76 D 4.4627 7.9586 118.1723 54.4309 43.1059 176.3105 77 V 4.8335 7.6100 114.6036 59.9109 31.5577 174.5099 78 Q 4.2232 8.5789 121.9754 56.5628 30.4580 177.5288 79 R 4.8267 8.2400 120.3280 54.6474 33.4306 174.7190 80 H 4.5031 9.1021 121.7520 55.0238 28.9112 174.3465 81 P 4.0809 0.0000 0.0000 65.5820 31.4062 176.6852 82 Y 4.9678 7.5326 115.6733 57.1074 39.2678 174.6294 83 K 4.7327 7.9192 117.0852 54.1673 36.5648 175.7002 84 P 4.5877 0.0000 0.0000 61.8274 29.6231 174.6645 85 K 4.7076 7.4265 123.1728 55.7200 37.5829 175.3336 86 L 5.3469 8.6096 119.8229 53.5572 44.6983 176.6120 87 Q 4.7629 8.2558 118.5993 57.2387 31.1133 175.3336 88 H 4.2570 7.8568 115.5817 55.6168 32.8020 172.8155 89 I 5.0393 6.7940 119.0220 58.5015 41.6746 174.2352 90 D 4.3906 8.1666 123.8097 53.0623 43.0876 175.4554 91 F 5.2123 8.7908 119.4130 55.9509 43.6027 174.4719 92 V 5.0717 8.4917 112.7222 59.7493 35.9331 175.5708 93 R 4.4071 8.3334 123.4466 56.1209 31.0161 176.8493 *94 A 4.0850 8.3516 122.7690 52.6284 18.9259 176.7799 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 M 8.30 4.51 0.00 1.70 1.80 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 2 F 7.96 4.10 0.00 3.26 3.22 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 3 T 8.61 3.42 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 1.22 0.00 0.00 4 I 7.87 4.32 1.77 0.00 0.00 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 1.34 1.68 1.01 0.00 0.00 5 N 8.35 4.59 0.00 2.62 2.78 0.00 0.00 6.99 7.36 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 6 A 8.46 4.72 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 7 E 8.75 4.67 0.00 2.02 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 2.36 2.31 0.00 8 V 8.36 4.33 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 0.68 0.00 0.00 0.94 0.00 0.00 9 R 8.23 4.68 0.00 1.78 1.87 0.00 3.16 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 1.53 1.62 0.00 10 K 8.49 4.51 0.00 1.82 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 11 E 8.58 4.00 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 2.30 2.24 0.00 12 Q 8.75 3.05 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.37 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 13 G 9.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.33 4.37 0.00 1.98 2.00 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 15 G 7.88 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 16 A 7.92 4.04 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 17 S 8.12 4.08 0.00 3.97 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 18 R 8.43 3.98 0.00 2.05 2.19 0.00 2.82 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 19 R 7.81 4.11 0.00 2.08 2.23 0.00 2.78 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 20 L 8.23 4.01 0.00 1.76 1.84 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.01 3.98 0.00 2.11 2.26 0.00 2.81 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 22 A 7.50 4.02 1.45 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 0.00 0.00 0.00 23 A 7.64 4.54 1.31 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 0.00 0.00 0.00 24 N 7.90 4.06 0.00 2.85 2.86 0.00 0.00 6.54 7.09 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 25 K 8.00 4.85 0.00 1.99 1.74 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.39 7.81 26 F 9.18 5.05 0.00 3.05 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 27 P 0.00 4.50 0.00 2.01 2.04 0.00 3.04 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 28 A 7.82 4.27 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 29 I 7.88 4.68 1.99 0.00 0.00 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 1.47 1.03 1.03 0.00 0.00 30 I 9.10 4.85 1.93 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 1.28 1.07 0.95 0.00 0.00 31 Y 9.10 4.68 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 32 G 8.17 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 34 K 7.96 4.47 0.00 1.88 1.92 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.47 7.81 35 E 7.71 4.66 0.00 1.95 1.89 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 2.26 2.41 0.00 36 A 7.20 4.99 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 37 P 0.00 4.84 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 38 L 8.61 4.61 0.00 1.78 1.52 0.93 0.95 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 39 A 8.63 5.23 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 40 I 7.78 5.13 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.96 0.00 0.00 41 E 9.15 4.93 0.00 2.00 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 2.26 0.00 42 L 8.17 4.78 0.00 1.88 1.78 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.76 4.85 0.00 2.72 2.69 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 44 H 8.54 4.15 0.00 3.23 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.97 4.39 0.00 2.74 2.67 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 46 K 8.12 3.79 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.54 7.81 47 V 7.56 3.83 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 0.71 0.00 0.00 1.09 0.00 0.00 48 M 7.57 3.62 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 49 N 7.49 4.17 0.00 2.65 2.89 0.00 0.00 7.36 8.73 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 50 M 7.14 3.82 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 51 Q 7.23 3.14 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 52 A 7.12 4.04 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 53 K 7.11 4.18 0.00 2.06 1.87 0.00 1.12 0.00 0.00 1.07 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.41 7.81 54 A 8.48 3.91 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 55 E 8.32 3.79 0.00 2.26 2.28 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 2.53 2.43 0.00 56 F 7.34 4.04 0.00 2.58 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 57 Y 7.92 4.12 0.00 3.28 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 58 S 6.70 4.16 0.00 3.35 3.65 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 E 8.20 4.39 0.00 2.10 1.86 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 2.44 2.42 0.00 60 V 8.05 3.98 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 0.76 0.00 0.00 0.95 0.00 0.00 61 L 9.10 4.78 0.00 1.44 1.56 0.24 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.13 4.59 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 1.24 0.00 0.00 63 I 8.37 3.92 1.72 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.55 0.81 0.00 0.00 64 V 8.07 4.49 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 0.93 0.00 0.00 0.96 0.00 0.00 65 V 8.37 4.30 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 0.90 0.00 0.00 0.92 0.00 0.00 66 D 9.63 4.32 0.00 2.71 2.64 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 67 G 8.20 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 0.00 0.00 0.00 68 K 8.23 4.50 0.00 1.88 1.65 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.46 7.81 69 E 8.85 4.64 0.00 1.83 1.86 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 2.29 2.32 0.00 70 I 8.70 4.50 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.90 0.00 0.00 71 K 8.61 4.75 0.00 1.62 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 72 V 8.49 4.69 2.23 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 0.68 0.00 0.00 0.91 0.00 0.00 73 K 9.12 4.83 0.00 1.68 1.76 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 74 A 8.25 4.62 1.04 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 0.00 0.00 75 Q 8.37 4.32 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 76 D 7.96 4.46 0.00 2.90 2.62 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 77 V 7.61 4.83 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 78 Q 8.58 4.22 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 79 R 8.24 4.83 0.00 1.72 1.71 0.00 3.25 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 80 H 9.10 4.50 0.00 3.17 3.22 0.00 5.91 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.08 0.00 1.55 1.95 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 82 Y 7.53 4.97 0.00 2.96 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 83 K 7.92 4.73 0.00 1.65 1.60 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.51 7.81 84 P 0.00 4.59 0.00 2.13 2.06 0.00 3.70 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 1.94 1.96 0.00 85 K 7.43 4.71 0.00 1.20 1.32 0.00 1.23 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.20 7.81 86 L 8.61 5.35 0.00 1.06 1.57 0.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.26 4.76 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 88 H 7.86 4.26 0.00 3.00 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 6.79 5.04 1.82 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 1.37 1.74 -0.37 0.00 0.00 90 D 8.17 4.39 0.00 2.16 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 91 F 8.79 5.21 0.00 2.95 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 92 V 8.49 5.07 2.24 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 0.67 0.00 0.00 1.00 0.00 0.00 93 R 8.33 4.41 0.00 1.71 1.88 0.00 3.22 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 *94 A 8.35 4.08 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 * Residues marked with a * may have inaccurate shift predictions.