NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3708 0.0000 0.0000 62.6723 32.6775 174.7559 3 R 4.3898 8.2826 118.2628 53.9991 31.9594 174.1237 4 A 4.6322 8.0148 127.6475 49.4860 19.9133 174.9668 5 K 4.1900 8.1643 119.6048 56.5970 33.9401 178.2975 6 T 4.0110 8.9468 118.8035 66.9480 69.5359 175.5348 7 G 3.9410 7.7410 108.2678 46.1816 0.0000 176.5190 8 V 3.7164 8.4006 124.0784 64.1504 31.1614 177.5973 9 V 3.5796 7.4367 119.2486 66.0744 31.2792 178.0634 10 R 3.8291 7.8342 117.4709 59.2340 30.0944 177.7004 11 R 3.7946 7.9679 118.1498 59.7598 29.8809 177.9645 12 R 3.9105 7.6126 117.3551 59.5857 29.9665 179.1644 13 K 4.0043 7.9427 117.4896 59.7009 31.8691 179.2803 14 H 4.2782 8.3155 116.7144 58.6052 28.7841 177.4600 15 K 3.8262 8.3716 121.1763 60.4120 31.8466 178.5041 16 K 3.8650 7.7522 118.4040 59.3424 32.3406 178.7017 17 I 3.8334 7.5318 119.2356 64.4192 37.1258 178.3516 18 L 3.9546 8.0705 120.0074 58.0469 41.0449 179.7598 19 K 3.9067 8.6306 118.3707 59.5891 31.7293 179.2738 20 L 4.0386 7.7726 117.9499 56.8968 41.8909 178.2326 21 A 3.9296 7.6855 119.0966 50.8647 18.8030 177.1513 22 K 3.8824 6.7085 117.9816 57.9526 32.4887 177.3898 23 G 3.9882 8.7739 111.6040 45.5707 0.0000 173.4961 24 Y 4.7480 6.9709 116.2230 57.1938 38.7073 175.2387 25 W 4.2501 8.9771 131.8556 58.5474 32.6938 176.3094 26 G 3.9075 7.7396 113.8116 46.3300 0.0000 176.6884 27 L 4.1105 8.6067 122.3633 57.2961 41.8865 179.0252 28 R 4.1167 8.5681 118.2174 58.1169 30.0204 177.7085 29 S 4.8122 8.1651 109.9889 57.6158 63.9777 174.5037 30 K 4.2878 8.3645 120.0062 56.3642 33.6880 175.8402 31 S 4.5161 7.9271 116.0790 56.9069 62.7167 174.6470 *32 F 3.9908 8.5708 126.8191 57.7562 38.5565 171.9247 33 R 4.7078 10.6400 116.7468 57.0929 35.8761 177.5755 34 K 3.9744 8.2351 118.6921 58.9347 31.8866 178.6339 35 A 4.6748 8.0512 122.1257 54.7336 18.2711 179.1879 36 R 3.5093 7.7942 115.8319 59.6604 29.9189 178.3783 37 E 3.7430 7.8088 117.7499 59.5988 29.3957 179.3913 38 T 3.7280 8.0779 116.0520 66.7313 68.5205 176.4641 39 L 4.0376 8.2858 121.0608 57.8345 41.5443 179.7912 40 F 4.4064 7.6375 116.8873 60.5346 38.8251 177.2007 41 A 3.6184 7.7550 119.9699 55.1472 18.0100 179.3990 42 A 4.0775 8.1931 119.0733 55.3514 18.5190 179.7307 43 G 3.9937 8.4875 104.6401 48.3854 0.0000 175.5399 44 N 4.3388 8.0660 119.2798 56.0702 38.5615 177.0486 45 Y 4.2155 7.9081 118.1653 61.1301 37.8366 178.7420 46 A 4.0465 8.4520 121.7380 55.3692 18.7319 178.7814 47 Y 4.1555 8.0654 117.5134 61.0431 38.9059 178.2562 48 A 4.2079 9.0327 122.0456 55.5711 18.5246 178.9323 49 H 4.5795 8.6000 114.1483 57.7791 28.9242 177.7620 50 R 3.9661 8.7658 121.1073 58.6593 29.9327 177.9627 51 K 4.1741 7.5082 117.0385 58.6147 32.6612 178.7379 52 R 3.8807 7.9196 118.3522 59.6707 29.9760 178.8904 53 R 3.9358 7.9749 118.0013 59.3593 29.9307 178.6271 54 K 3.9977 7.8971 118.7459 59.2856 31.9973 179.2134 55 R 4.0026 7.7305 115.5840 58.6020 30.0389 177.9554 56 D 4.1565 8.3815 120.0104 57.4671 40.7827 179.1875 57 F 3.4085 7.9709 117.4838 60.9216 38.7324 177.9260 58 R 3.8313 7.1202 116.8562 59.6132 29.7599 178.8442 59 R 3.8460 8.0451 117.5090 59.2665 30.0749 178.9818 60 L 3.8567 7.3509 118.1571 58.1561 41.5804 178.9846 61 W 4.7022 8.0497 117.6946 60.5510 29.0137 178.3652 62 I 3.6938 8.6926 119.0615 65.0262 36.7906 178.2168 63 V 3.5402 8.0836 118.5747 66.8594 31.3180 177.6090 64 R 3.8890 8.8132 117.3590 59.5541 29.7254 178.5530 65 I 3.7715 8.5220 118.9256 65.0572 37.4315 177.9485 66 N 4.5548 9.1969 117.6332 56.7708 38.6330 176.7718 67 A 3.9611 8.1727 121.8452 55.1406 18.4583 179.2729 68 A 4.1038 7.7874 116.8033 53.7334 18.4098 178.1048 69 C 4.8891 7.9059 111.5424 57.8798 31.0757 175.9447 70 R 4.2867 7.8870 122.8024 58.6950 29.3639 177.9369 71 Q 3.9844 7.6860 117.5607 58.5035 28.9876 176.0935 72 H 4.8506 7.5822 115.6947 55.3109 29.5429 174.8665 73 G 3.8525 7.9504 107.6694 44.0782 0.0000 173.4237 74 L 4.4749 7.1781 120.9223 54.2313 42.8061 174.1905 75 N 4.3943 8.1885 116.9067 53.9880 40.4024 175.5490 76 Y 4.2580 8.9653 124.2368 60.8930 38.8498 178.6320 77 S 4.2533 8.4521 114.6996 62.1295 62.8663 176.4440 78 T 3.8607 7.9746 119.4539 65.9915 68.3453 175.7000 79 F 4.3063 8.3650 122.1657 61.9364 39.2133 177.0447 80 I 3.0769 7.9959 119.0480 64.7841 36.9726 177.8268 81 H 4.2102 8.3718 118.8946 59.2374 29.4052 177.1751 82 G 3.5474 8.1949 107.9977 47.3619 0.0000 175.5139 83 L 3.9650 7.8684 122.0500 57.0753 41.4350 179.4298 84 K 3.8468 7.8906 118.3704 59.3005 32.3808 180.2448 85 K 4.3012 8.3201 120.2996 55.8203 32.5486 177.1356 86 A 4.5567 7.9762 118.7351 51.5518 24.2057 177.9027 87 G 4.0372 8.2468 104.3227 45.8682 0.0000 174.9858 88 I 4.0810 7.5368 114.1916 58.1640 36.2041 175.7110 89 E 3.8765 8.1178 125.9096 59.5572 30.5019 178.9786 90 V 3.7516 7.3350 117.7983 63.5871 31.7524 176.1659 91 D 3.7560 9.4262 113.3650 51.4744 42.2191 170.5969 92 R 3.7600 7.8733 121.1489 55.3217 32.2164 176.6608 93 K 4.1658 9.0110 124.6420 59.8551 32.3161 177.0556 94 N 2.0000 7.4675 116.3195 55.4528 38.7394 175.5194 95 L 4.1578 8.7993 115.4370 54.6215 42.5139 176.5946 96 A 4.9499 7.6399 123.8052 51.7874 17.8157 178.7144 97 D 4.5494 7.6051 123.3443 55.5144 40.0153 177.9737 98 L 3.9837 7.5818 119.7325 58.1750 41.7360 178.9501 99 A 3.5170 7.9645 118.8092 54.7160 18.1335 178.2037 100 V 3.9276 7.7033 115.9210 64.7440 32.4659 178.1987 101 R 4.1244 7.9686 117.5455 56.0011 34.1437 178.7030 102 E 3.7946 7.7584 113.4335 57.7502 25.2578 174.8311 103 P 4.7366 0.0000 0.0000 63.1519 32.2020 177.8905 104 Q 3.9654 7.8877 119.0978 59.1562 28.8907 177.7391 105 V 3.5995 7.9267 118.8887 66.3289 31.3699 177.6569 106 F 4.0763 7.9502 118.7671 61.1360 39.2392 176.7490 107 A 3.9692 8.1124 120.4484 55.9170 18.1147 178.6577 108 E 3.8072 9.1898 117.0078 59.2994 29.4604 180.1273 109 L 3.7421 8.3291 118.3247 57.6719 41.8725 179.9680 110 V 2.9287 7.6661 118.6676 65.7821 31.3951 177.6720 111 E 3.8495 8.0714 118.0885 59.7375 29.2995 179.5649 112 R 3.8725 8.0375 117.9203 59.4978 29.6493 178.7848 113 A 4.0125 7.7614 119.9761 54.9136 18.2867 179.6163 114 K 4.1043 8.1171 115.4961 59.3293 32.9397 178.7789 115 A 4.0255 8.6922 123.4502 55.0330 18.1750 178.9838 116 A 4.1992 8.2613 118.5988 53.2357 19.8630 177.9831 117 Q 4.5030 7.5218 116.1537 53.5132 28.7984 175.9890 118 G 3.7417 8.0368 109.4925 45.3766 0.0000 171.2245 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 2 P 0.00 4.37 0.00 2.17 2.14 0.00 3.42 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 1.88 2.08 0.00 3 R 8.28 4.39 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 4 A 8.01 4.63 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 5 K 8.16 4.19 0.00 1.87 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.95 4.01 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 7 G 7.74 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 8 V 8.40 3.72 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 0.84 0.00 0.00 0.92 0.00 0.00 9 V 7.44 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 10 R 7.83 3.83 0.00 1.88 1.82 0.00 3.17 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 1.44 1.64 0.00 11 R 7.97 3.79 0.00 1.88 2.06 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 12 R 7.61 3.91 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 13 K 7.94 4.00 0.00 2.01 1.92 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 14 H 8.32 4.28 0.00 3.38 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.37 3.83 0.00 1.94 2.11 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.72 7.81 16 K 7.75 3.86 0.00 1.97 1.96 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.53 7.81 17 I 7.53 3.83 1.95 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 1.51 1.15 0.84 0.00 0.00 18 L 8.07 3.95 0.00 1.84 1.71 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.63 3.91 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.67 7.81 20 L 7.77 4.04 0.00 1.88 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.69 3.93 1.40 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 0.00 0.00 0.00 22 K 6.71 3.88 0.00 1.69 1.66 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.47 7.81 23 G 8.77 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 24 Y 6.97 4.75 0.00 3.07 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 25 W 8.98 4.25 0.00 3.57 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 26 G 7.74 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 27 L 8.61 4.11 0.00 1.78 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.57 4.12 0.00 2.29 2.13 0.00 3.12 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 29 S 8.17 4.81 0.00 3.93 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 30 K 8.36 4.29 0.00 1.72 1.86 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.45 7.81 31 S 7.93 4.52 0.00 3.84 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 *32 F 8.57 3.99 0.00 2.33 2.20 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 33 R 10.64 4.71 0.00 1.90 2.08 0.00 2.74 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 34 K 8.24 3.97 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.61 7.81 35 A 8.05 4.67 1.38 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 0.00 0.00 36 R 7.79 3.51 0.00 1.68 1.89 0.00 3.12 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.02 0.00 37 E 7.81 3.74 0.00 2.18 1.97 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 2.39 2.41 0.00 38 T 8.08 3.73 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 0.44 0.00 0.00 39 L 8.29 4.04 0.00 1.62 1.70 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.64 4.41 0.00 3.19 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 41 A 7.75 3.62 1.16 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 42 A 8.19 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.49 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 44 N 8.07 4.34 0.00 2.74 2.80 0.00 0.00 7.11 7.63 0.00 0.00 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 Y 7.91 4.22 0.00 3.11 2.80 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 46 A 8.45 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.07 4.16 0.00 3.15 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 48 A 9.03 4.21 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.60 4.58 0.00 3.39 3.35 0.00 5.63 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 50 R 8.77 3.97 0.00 1.93 1.83 0.00 3.19 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 51 K 7.51 4.17 0.00 2.02 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.16 1.23 7.81 52 R 7.92 3.88 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 53 R 7.97 3.94 0.00 2.05 2.11 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 54 K 7.90 4.00 0.00 1.96 1.87 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 R 7.73 4.00 0.00 1.97 2.14 0.00 2.98 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 56 D 8.38 4.16 0.00 2.60 2.31 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 57 F 7.97 3.41 0.00 2.54 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 58 R 7.12 3.83 0.00 2.00 1.96 0.00 3.12 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 59 R 8.05 3.85 0.00 1.86 1.86 0.00 3.03 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 60 L 7.35 3.86 0.00 1.54 1.65 0.54 0.55 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 61 W 8.05 4.70 0.00 3.73 3.32 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 62 I 8.69 3.69 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.34 0.00 0.00 63 V 8.08 3.54 2.20 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 1.02 0.00 0.00 0.94 0.00 0.00 64 R 8.81 3.89 0.00 2.16 1.98 0.00 3.45 0.00 0.00 3.24 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 65 I 8.52 3.77 2.41 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.28 1.48 0.00 0.00 66 N 9.20 4.55 0.00 3.02 3.03 0.00 0.00 7.19 8.54 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 67 A 8.17 3.96 1.38 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 0.00 0.00 68 A 7.79 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.91 4.89 0.00 2.91 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 70 R 7.89 4.29 0.00 2.19 1.99 0.00 3.19 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 71 Q 7.69 3.98 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.19 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 72 H 7.58 4.85 0.00 3.12 3.21 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.95 3.85 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 0.00 0.00 0.00 74 L 7.18 4.47 0.00 1.91 1.78 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.19 4.39 0.00 2.92 3.02 0.00 0.00 6.45 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 76 Y 8.97 4.26 0.00 3.34 3.08 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 77 S 8.45 4.25 0.00 4.16 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 0.00 78 T 7.97 3.86 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 1.26 0.00 0.00 79 F 8.36 4.31 0.00 3.05 3.13 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 80 I 8.00 3.08 1.67 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.36 0.75 0.00 0.00 81 H 8.37 4.21 0.00 3.21 3.46 0.00 5.79 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 82 G 8.19 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.87 3.97 0.00 1.69 1.51 1.00 -0.24 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 84 K 7.89 3.85 0.00 1.66 1.99 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 85 K 8.32 4.30 0.00 1.57 1.68 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 86 A 7.98 4.56 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 87 G 8.25 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 0.00 0.00 0.00 88 I 7.54 4.08 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.88 0.00 0.00 89 E 8.12 3.88 0.00 1.90 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 2.29 2.38 0.00 90 V 7.33 3.75 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 0.76 0.00 0.00 0.87 0.00 0.00 91 D 9.43 3.76 0.00 2.70 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 92 R 7.87 3.76 0.00 1.98 1.77 0.00 3.13 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 93 K 9.01 4.17 0.00 2.07 2.27 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.80 7.81 94 N 7.47 2.00 0.00 1.44 2.22 0.00 0.00 7.11 6.66 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 95 L 8.80 4.16 0.00 1.97 1.52 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.64 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.61 4.55 0.00 2.85 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 L 7.58 3.98 0.00 1.86 1.99 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.96 3.52 0.73 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 0.00 0.00 100 V 7.70 3.93 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 0.89 0.00 0.00 0.91 0.00 0.00 101 R 7.97 4.12 0.00 1.83 1.90 0.00 3.44 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 102 E 7.76 3.79 0.00 2.10 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 0.00 2.38 2.28 0.00 103 P 0.00 4.74 0.00 2.31 2.27 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 104 Q 7.89 3.97 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 105 V 7.93 3.60 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 1.07 0.00 0.00 0.96 0.00 0.00 106 F 7.95 4.08 0.00 3.47 3.20 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 0.00 107 A 8.11 3.97 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 0.00 108 E 9.19 3.81 0.00 2.26 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 2.31 2.50 0.00 109 L 8.33 3.74 0.00 1.70 1.64 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.67 2.93 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 0.88 0.00 0.00 0.23 0.00 0.00 111 E 8.07 3.85 0.00 2.07 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 2.39 2.44 0.00 112 R 8.04 3.87 0.00 1.90 1.99 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 113 A 7.76 4.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.10 0.00 1.90 1.94 0.00 1.54 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.41 7.81 115 A 8.69 4.03 1.38 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 0.00 0.00 116 A 8.26 4.20 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 0.00 117 Q 7.52 4.50 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 118 G 8.04 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 * Residues marked with a * may have inaccurate shift predictions.