NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2827 8.3293 119.6847 56.2359 30.0866 173.6352 4 H 4.8893 8.1749 114.5229 53.2336 32.2107 170.4583 5 D 4.9757 8.2021 118.3793 51.7466 44.7925 177.7249 6 K 4.0388 8.8622 124.2123 59.6988 32.5553 177.6852 7 S 4.6429 8.2958 113.6438 57.7685 62.8593 173.3719 8 R 4.5022 7.7053 120.8973 53.7976 31.6876 175.1125 9 L 3.8733 8.6174 127.3352 55.3892 42.5418 176.1638 10 V 4.2068 8.1742 125.0584 61.3006 32.1265 174.8994 11 R 4.4084 8.3321 126.6384 54.8026 31.4019 176.2125 12 I 4.0429 8.0611 123.2667 60.0001 37.6216 175.1537 13 D 4.4535 8.6976 126.4032 54.4370 40.8921 175.3237 14 T 4.4817 8.4779 116.3807 61.5239 69.3324 175.5222 15 G 4.0639 8.2007 110.8640 44.3721 0.0000 173.7805 16 P 4.7217 0.0000 0.0000 62.8631 33.2225 179.8125 *18 I 3.7278 8.4594 131.1730 62.0979 37.6504 174.0617 19 N 4.1005 8.7197 127.5412 53.9922 37.0917 171.8857 20 P 4.6856 0.0000 0.0000 62.9536 33.2298 177.1581 21 V 4.2156 8.8226 121.7390 61.8483 32.8974 175.1435 22 A 4.7594 8.6604 129.6626 52.1321 19.5451 176.2920 23 G 4.2722 8.8055 106.6724 45.3827 0.0000 171.6797 24 K 4.3818 8.1079 117.6661 53.3415 36.2460 175.1998 25 P 4.3565 0.0000 0.0000 62.6639 31.8798 177.3342 26 S 4.3144 8.7345 117.9376 61.1538 63.5450 174.8961 27 R 4.8751 7.6655 118.1717 53.4745 29.7070 173.2528 28 P 4.6959 0.0000 0.0000 63.4893 32.2373 176.7913 29 I 4.4665 8.8512 121.6677 62.5120 38.7010 175.5879 30 A 4.5120 8.1114 120.3323 52.0053 22.7873 177.0253 31 G 3.8292 9.0032 107.1882 44.8299 0.0000 173.2721 32 D 4.2551 8.1116 117.3052 54.6412 38.3600 173.9501 33 A 4.3507 7.8592 118.4478 51.9807 19.6737 178.3322 34 S 4.3542 8.9060 115.9849 56.3605 65.5945 172.8936 35 F 5.9175 8.6350 125.3139 55.2863 41.9542 174.8624 36 R 5.1944 8.0013 119.0284 54.8561 34.2474 174.4076 37 T 5.2552 8.9558 118.9988 61.7899 73.0045 173.0466 38 V 4.7214 8.9125 125.0594 61.3023 34.4220 174.5557 39 T 4.5075 8.8151 125.0758 63.6790 68.4169 174.3703 40 A 4.5755 8.9364 128.3787 53.1833 20.7829 176.9366 41 F 4.7362 7.6862 115.2245 57.3767 42.9615 172.8877 42 E 4.7481 7.7662 124.0928 54.6155 33.0254 174.8806 43 G 3.8632 8.8638 110.5486 44.8526 0.0000 172.3388 44 G 4.1568 9.1246 104.9007 47.1575 0.0000 173.5516 45 Q 3.1210 9.4689 112.8986 56.6882 26.2190 175.0059 46 G 3.9712 8.1248 104.8305 45.2614 0.0000 174.5913 47 K 4.1004 8.0702 121.2541 58.4437 32.6038 176.4822 48 V 4.9997 8.0839 118.8619 60.8443 34.3546 174.4588 49 E 5.1661 8.7384 124.4374 54.9676 33.3393 174.1516 50 S 4.4871 8.9914 115.8869 56.9237 66.5481 173.9344 51 G 3.6468 6.0901 110.2411 45.7927 0.0000 171.5443 52 V 5.0460 7.9936 119.9374 60.9625 34.8419 175.9103 53 W 5.6717 9.6769 135.0000 55.7725 34.6388 173.2695 54 E 4.8109 8.3442 125.5951 54.2903 33.1376 174.1286 55 S 4.9709 8.0854 119.2437 56.5596 66.1884 173.9480 56 T 4.6094 8.2842 117.3352 60.6181 70.3021 174.1397 57 S 4.4938 8.7195 115.6373 58.8850 64.4689 174.7865 58 G 4.3147 7.6194 108.6945 43.9828 0.0000 171.8414 59 S 5.1743 8.6981 114.1991 56.9292 66.7591 173.1456 60 F 5.2232 8.1778 113.5020 56.3727 41.3007 172.2976 61 Q 4.8782 9.1202 122.8400 55.1779 30.2296 175.6466 62 S 4.7507 9.3128 122.7845 58.7352 65.0039 173.4704 63 N 4.8285 8.6342 120.7671 53.0412 40.2323 173.1546 64 T 3.8409 8.8609 118.0436 61.2119 70.3228 174.8611 65 T 4.0550 7.8516 119.0295 66.4784 68.9646 174.7639 66 G 4.1342 11.3000 115.5318 45.2503 0.0000 171.9400 67 Y 5.2709 7.1034 116.0990 55.9684 41.7810 173.3905 68 I 4.7851 8.9042 121.2845 59.5392 40.0768 174.3563 69 E 5.1714 8.7327 126.8219 54.5880 32.5808 173.7198 70 Y 4.6603 9.3327 129.2031 57.2415 40.5885 173.8046 71 C 4.9856 8.1282 123.3612 57.9497 32.4589 172.6162 72 H 4.7528 8.9090 122.2759 54.0396 32.5947 172.4701 73 I 4.5262 8.7248 128.7617 61.6575 37.2938 176.8701 74 I 4.6675 8.9740 120.8492 61.5312 39.5872 175.4426 75 E 4.5523 8.2254 122.0516 56.0577 32.8048 176.4690 76 G 4.2060 9.8882 112.2470 45.9616 0.0000 171.7799 77 E 5.2523 8.5246 116.2792 56.0447 32.7030 173.9583 78 A 4.7924 8.9798 121.5001 51.5322 23.7945 175.0127 79 R 4.9156 8.9983 117.8703 54.4498 33.5034 175.3657 80 L 4.7313 8.4581 123.4704 52.7833 44.2831 175.4414 81 V 4.7371 8.4997 124.4889 60.9434 33.6672 175.2152 82 D 4.8397 9.1354 128.5185 53.2997 41.5318 175.5118 83 P 4.1320 0.0000 0.0000 66.0217 31.2558 177.3275 84 D 4.4623 7.9523 113.9906 53.7643 39.5533 176.9507 85 G 3.8923 8.2979 109.2740 45.2605 0.0000 173.8811 86 T 3.8965 8.1539 118.0693 63.6298 69.3303 173.4405 87 V 4.2738 8.2032 126.8648 61.7752 33.1635 174.6332 88 H 4.7417 9.0791 125.1923 53.8231 31.0591 172.8666 89 A 4.6043 8.4651 126.2101 51.3680 19.3167 176.7150 90 V 4.7821 9.0084 116.6036 59.5028 35.4981 175.1733 91 K 5.2852 9.3057 122.4839 54.8484 36.9335 175.1708 92 A 4.3125 7.8871 122.8648 54.3190 18.3694 177.9603 93 G 4.1028 9.3768 112.3153 45.0961 0.0000 173.5216 94 D 4.6573 8.2527 120.4404 53.9464 41.9871 175.3334 95 A 4.9158 8.3858 124.5059 50.1694 21.7731 175.1387 96 F 4.7496 7.8728 114.8652 56.2483 41.6534 173.1961 97 I 4.9859 7.8489 119.6494 58.9144 39.0551 172.8414 *99 P 4.1958 0.0000 0.0000 62.7087 32.4397 175.5959 100 E 4.4332 7.9492 119.6391 57.2759 29.8445 176.6242 101 G 3.8641 8.4142 113.1547 46.2791 0.0000 172.6959 102 Y 4.2980 8.0676 122.1947 57.0648 39.8020 175.9797 103 T 5.1160 7.0073 116.0091 60.3041 70.2306 174.1265 104 G 3.7686 6.1080 110.2075 46.0916 0.0000 172.7223 105 R 5.3540 8.7631 115.3959 54.1333 33.3419 174.5137 106 W 4.9953 8.9573 120.0231 55.0984 31.6321 175.1959 107 E 4.6447 9.3582 123.7767 54.6810 32.1283 175.2746 108 V 4.5268 9.0494 126.5078 61.1747 32.4981 176.0272 109 D 4.4080 8.9441 129.1369 56.8767 40.9248 176.6554 110 R 4.5437 7.4519 116.1489 56.1004 31.6037 174.5483 111 H 4.8975 7.8570 114.9761 55.5715 33.2662 172.3815 112 V 5.0147 8.1710 123.2646 60.2838 35.2895 173.5411 113 K 5.2680 9.3778 123.4907 54.8445 35.8496 174.9839 114 K 5.2939 9.5733 124.7519 55.5982 36.7632 174.9185 115 I 4.8483 8.9972 123.0124 60.7700 38.8978 174.5992 116 Y 5.4033 8.6011 124.1877 55.2749 41.5802 174.5581 117 F 4.9493 9.5319 122.9810 56.9479 42.9424 173.1473 118 V 4.9844 8.7464 126.9077 61.3012 34.3605 174.0960 119 T 4.9952 8.8724 121.7941 60.5836 70.0006 172.4634 120 H 4.9657 9.3155 127.1988 55.5705 29.8797 175.6761 121 L 4.3971 8.9978 121.7187 54.9513 41.2891 176.5504 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 3 Q 8.33 4.28 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 4 H 8.17 4.89 0.00 3.40 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.20 4.98 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.04 0.00 1.94 1.99 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 7 S 8.30 4.64 0.00 4.03 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 8 R 7.71 4.50 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 9 L 8.62 3.87 0.00 1.61 1.55 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.17 4.21 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 0.95 0.00 0.00 1.05 0.00 0.00 11 R 8.33 4.41 0.00 1.83 1.82 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 12 I 8.06 4.04 1.84 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 1.28 0.46 0.89 0.00 0.00 13 D 8.70 4.45 0.00 2.63 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 14 T 8.48 4.48 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 1.22 0.00 0.00 15 G 8.20 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 16 P 0.00 4.72 0.00 1.96 1.26 0.00 3.72 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 2.04 2.14 0.00 *18 I 8.46 3.73 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 1.36 0.76 0.92 0.00 0.00 19 N 8.72 4.10 0.00 2.79 2.82 0.00 0.00 7.26 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 20 P 0.00 4.69 0.00 2.12 2.05 0.00 3.81 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 1.97 0.00 21 V 8.82 4.22 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 0.93 0.00 0.00 0.95 0.00 0.00 22 A 8.66 4.76 1.21 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 0.00 0.00 23 G 8.81 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 0.00 0.00 0.00 0.00 24 K 8.11 4.38 0.00 1.67 1.40 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.02 7.81 25 P 0.00 4.36 0.00 2.09 1.85 0.00 3.22 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 26 S 8.73 4.31 0.00 3.93 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 27 R 7.67 4.88 0.00 2.03 1.89 0.00 3.20 0.00 0.00 3.44 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 28 P 0.00 4.70 0.00 2.11 2.07 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 29 I 8.85 4.47 1.96 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 1.22 0.74 0.94 0.00 0.00 30 A 8.11 4.51 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 31 G 9.00 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 32 D 8.11 4.26 0.00 2.78 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 33 A 7.86 4.35 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 34 S 8.91 4.35 0.00 3.76 3.60 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 35 F 8.64 5.92 0.00 2.86 2.38 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 0.00 0.00 0.00 0.00 36 R 8.00 5.19 0.00 1.60 1.74 0.00 3.22 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 37 T 8.96 5.26 4.33 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 1.42 0.00 0.00 38 V 8.91 4.72 2.15 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 1.14 0.00 0.00 1.03 0.00 0.00 39 T 8.82 4.51 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 1.31 0.00 0.00 40 A 8.94 4.58 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 41 F 7.69 4.74 0.00 3.08 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 42 E 7.77 4.75 0.00 1.60 1.61 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 2.11 2.18 0.00 43 G 8.86 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 0.00 0.00 0.00 44 G 9.12 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.47 3.12 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 46 G 8.12 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 0.00 0.00 0.00 47 K 8.07 4.10 0.00 1.95 1.89 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.60 7.81 48 V 8.08 5.00 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 0.74 0.00 0.00 0.99 0.00 0.00 49 E 8.74 5.17 0.00 2.11 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 2.15 2.30 0.00 50 S 8.99 4.49 0.00 3.71 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 51 G 6.09 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 0.00 0.00 0.00 52 V 7.99 5.05 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 1.12 0.00 0.00 1.02 0.00 0.00 53 W 9.68 5.67 0.00 3.35 2.94 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 54 E 8.34 4.81 0.00 1.91 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 1.87 2.14 0.00 55 S 8.09 4.97 0.00 2.98 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.61 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 57 S 8.72 4.49 0.00 4.03 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 58 G 7.62 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 0.00 0.00 0.00 0.00 59 S 8.70 5.17 0.00 3.88 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 60 F 8.18 5.22 0.00 3.38 3.24 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 61 Q 9.12 4.88 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 62 S 9.31 4.75 0.00 4.19 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 63 N 8.63 4.83 0.00 2.72 2.75 0.00 0.00 6.96 7.70 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 64 T 8.86 3.84 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 1.22 0.00 0.00 65 T 7.85 4.06 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 1.28 0.00 0.00 66 G 11.30 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.10 5.27 0.00 3.01 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 68 I 8.90 4.79 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.99 0.00 0.00 69 E 8.73 5.17 0.00 2.32 1.91 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 2.34 2.42 0.00 70 Y 9.33 4.66 0.00 3.08 3.06 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 71 C 8.13 4.99 0.00 1.23 2.17 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 72 H 8.91 4.75 0.00 3.17 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.72 4.53 2.17 0.00 0.00 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 1.63 0.84 1.13 0.00 0.00 74 I 8.97 4.67 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 1.27 0.72 1.05 0.00 0.00 75 E 8.23 4.55 0.00 2.09 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 2.34 2.37 0.00 76 G 9.89 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 0.00 0.00 0.00 77 E 8.52 5.25 0.00 2.13 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 2.24 2.29 0.00 78 A 8.98 4.79 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 79 R 9.00 4.92 0.00 1.65 1.69 0.00 3.04 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 80 L 8.46 4.73 0.00 0.97 1.17 -0.66 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.50 4.74 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 1.03 0.00 0.00 0.86 0.00 0.00 82 D 9.14 4.84 0.00 2.86 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 83 P 0.00 4.13 0.00 1.97 2.06 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 84 D 7.95 4.46 0.00 2.77 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 85 G 8.30 3.89 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 0.00 0.00 0.00 86 T 8.15 3.90 4.35 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 1.03 0.00 0.00 87 V 8.20 4.27 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 0.70 0.00 0.00 0.93 0.00 0.00 88 H 9.08 4.74 0.00 2.80 2.93 0.00 5.66 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 89 A 8.47 4.60 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 90 V 9.01 4.78 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 0.41 0.00 0.00 0.86 0.00 0.00 91 K 9.31 5.29 0.00 1.80 1.90 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.41 7.81 92 A 7.89 4.31 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 93 G 9.38 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 94 D 8.25 4.66 0.00 2.78 2.66 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 95 A 8.39 4.92 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 96 F 7.87 4.75 0.00 2.93 2.94 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 97 I 7.85 4.99 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.95 0.00 0.00 *99 P 0.00 4.20 0.00 2.10 2.06 0.00 3.56 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 1.98 2.07 0.00 100 E 7.95 4.43 0.00 1.92 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 2.32 2.23 0.00 101 G 8.41 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 0.00 0.00 0.00 102 Y 8.07 4.30 0.00 3.21 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 0.00 103 T 7.01 5.12 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 1.21 0.00 0.00 104 G 6.11 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 0.00 0.00 0.00 105 R 8.76 5.35 0.00 2.00 2.02 0.00 2.74 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 106 W 8.96 5.00 0.00 1.96 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 0.00 107 E 9.36 4.64 0.00 1.81 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 2.19 2.17 0.00 108 V 9.05 4.53 2.38 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 1.20 0.00 0.00 1.31 0.00 0.00 109 D 8.94 4.41 0.00 2.75 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 0.00 110 R 7.45 4.54 0.00 1.80 1.89 0.00 3.30 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 1.56 1.64 0.00 111 H 7.86 4.90 0.00 3.27 3.10 0.00 5.89 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 0.00 112 V 8.17 5.01 2.48 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 0.90 0.00 0.00 1.30 0.00 0.00 113 K 9.38 5.27 0.00 1.86 1.71 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 114 K 9.57 5.29 0.00 2.07 2.15 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.77 1.63 7.81 115 I 9.00 4.85 1.98 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 1.31 0.78 0.95 0.00 0.00 116 Y 8.60 5.40 0.00 3.12 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 0.00 117 F 9.53 4.95 0.00 3.05 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 0.00 118 V 8.75 4.98 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 0.49 0.00 0.00 0.94 0.00 0.00 119 T 8.87 5.00 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 1.41 0.00 0.00 120 H 9.32 4.97 0.00 3.08 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.00 4.40 0.00 1.63 1.61 0.96 0.89 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 * Residues marked with a * may have inaccurate shift predictions.