NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7928 8.4449 117.8379 55.1305 30.1862 172.6514 5 I 3.9955 8.3125 122.5784 61.3893 37.8032 172.1478 6 E 4.6463 9.9656 127.1655 54.6058 32.3889 174.9865 7 R 4.9963 8.2076 122.3298 54.3649 33.2954 175.2298 8 F 4.6292 8.2864 119.2375 56.2845 42.7815 174.7638 9 E 3.7406 8.6575 120.6618 57.3678 26.3429 173.5409 10 V 4.7871 7.4314 116.9720 61.0827 33.9771 174.7468 11 V 4.6149 8.4272 119.0073 59.0812 35.7082 176.4475 12 K 3.8708 8.7804 119.5619 59.9270 31.8919 178.8377 13 R 4.0851 8.0064 117.8156 58.8574 30.5065 176.0961 14 R 4.3917 7.5733 110.9548 55.4159 32.2980 173.1003 15 A 4.9017 8.3855 122.2289 50.9970 20.3827 177.5436 16 E 4.1637 8.7689 120.7576 58.2879 30.5937 176.5281 *18 A 4.7062 7.8435 121.9489 51.7056 20.6418 175.0398 19 L 5.1571 9.4663 124.5507 53.6468 44.8223 174.6661 20 H 5.1302 9.4458 126.4727 53.7711 32.1192 174.6948 21 G 3.7943 8.9085 118.1912 47.1498 0.0000 172.4957 22 N 4.9489 8.8453 120.4730 52.8755 38.9794 173.1030 23 T 4.9130 8.0439 115.5174 61.7547 71.4130 173.4013 24 V 4.7859 8.7446 126.2193 61.3292 33.9817 173.7192 25 Y 5.0135 9.2176 125.8069 56.2338 40.2364 175.1084 26 I 4.6748 8.7641 125.3629 59.4117 40.2865 176.4493 27 G 4.2449 8.6355 115.2337 45.2490 0.0000 172.7335 28 G 4.0941 8.5930 106.8856 46.2232 0.0000 173.2199 29 Q 4.5877 8.6585 124.4418 54.0936 30.7030 175.2846 30 V 4.4073 7.6097 114.5062 58.5826 35.3946 174.9863 31 A 4.0914 8.0186 124.2989 51.9776 18.7301 177.5375 32 D 4.4167 8.9082 123.4057 56.6205 41.0192 176.0242 33 D 4.8084 8.5455 119.4314 51.9423 41.1082 172.5644 34 P 4.8667 0.0000 0.0000 62.7284 31.6482 177.6243 35 S 4.3201 8.2912 114.7439 60.2720 63.4467 174.5262 36 G 4.2421 8.0025 109.6876 43.8831 0.0000 172.9121 37 D 4.7008 8.2115 119.7636 52.3696 41.9144 176.7490 38 I 3.6679 8.2350 117.9695 64.4078 37.7742 177.6240 39 Q 3.9717 8.0853 118.3842 58.9199 28.7751 178.0142 40 D 4.3034 8.7781 119.3857 57.6051 41.3283 178.4022 41 Q 4.0123 8.2883 118.6090 59.1600 28.5937 178.8588 42 T 3.8066 8.2335 117.1821 66.5606 68.4409 176.9476 43 R 3.5152 8.0154 119.9548 59.2097 30.1335 178.9125 44 Q 3.9499 8.0558 117.8087 59.1442 28.6539 179.4101 45 I 3.5907 7.6224 120.3512 64.4562 37.1583 178.6053 46 L 3.5886 7.7106 120.0836 57.4176 41.0898 179.2675 47 E 4.1408 8.2232 119.8823 59.2937 29.5320 178.4126 48 N 4.3127 8.2469 117.1785 56.5540 38.9539 176.8278 49 I 3.6547 7.9416 121.5676 64.3884 37.1188 177.7030 50 D 4.3492 8.2365 118.8026 57.3994 41.0581 178.3505 51 R 3.8375 8.1117 119.0269 59.4033 29.8542 178.4431 52 L 3.8907 8.0594 118.8227 57.7164 41.6119 179.4564 53 L 3.8800 8.2140 119.2012 58.1199 41.6522 179.8116 54 Q 4.3670 8.5203 119.4759 58.1725 28.3240 178.8371 55 S 4.2211 7.8746 114.6269 60.4134 62.8888 175.4323 56 V 4.0505 6.9686 113.6860 60.8414 31.7083 176.3345 57 G 3.8675 8.2272 107.6945 46.0373 0.0000 173.7164 58 S 4.7984 7.6907 115.7925 57.2855 64.6391 171.8781 59 D 4.7532 7.7441 118.4699 52.6001 41.0577 176.2528 60 R 4.2074 8.5774 115.2808 57.9356 29.5104 177.3497 61 G 3.9331 8.5071 107.4025 46.1743 0.0000 174.1703 62 Q 4.5618 8.2467 118.3852 55.3504 29.5306 175.4219 63 V 4.1211 7.7002 117.6959 62.7921 32.5823 175.0691 64 L 4.7052 8.9956 125.8006 55.9410 43.9087 176.6540 65 S 5.0783 7.7068 111.5973 55.8461 66.9934 172.9296 66 V 4.8998 8.8688 121.7690 61.2996 34.5434 173.9312 67 R 4.7752 8.9567 129.3907 55.4284 31.1918 175.3354 68 I 4.5728 8.7602 127.6922 59.6186 39.9675 174.4847 69 L 4.8475 9.0514 128.6220 53.0653 43.5772 175.2557 70 L 4.9888 8.6638 126.7827 53.2362 43.6733 177.0996 71 A 4.3993 8.9619 128.8385 54.0969 19.3542 177.7630 72 H 4.8424 7.9271 111.8562 53.1119 32.7940 174.0114 73 R 3.9210 9.0036 124.4788 59.6304 29.6404 178.0302 74 E 4.2227 8.1746 114.7797 58.3171 29.9919 177.4580 75 D 4.7150 8.1296 119.4835 54.7866 41.2849 177.4421 76 Y 4.1521 8.0721 121.6559 60.7733 38.8398 177.7175 77 A 3.9770 8.1898 121.3200 55.0957 18.4344 179.6963 78 G 3.5191 8.0198 103.7571 47.6437 0.0000 175.3433 79 L 3.9513 7.9996 122.8733 58.3132 42.0342 179.0625 80 N 4.3929 8.0471 115.9856 55.7842 38.1222 177.2192 81 Q 3.9706 7.9444 120.7729 59.2688 29.4740 178.4584 82 V 3.7795 7.6569 118.7548 65.6843 31.7264 177.4020 83 W 4.2994 8.3719 128.2550 61.0490 30.2951 177.5924 84 D 4.6964 8.6170 116.6787 56.4310 40.3779 177.6120 85 Q 4.4058 7.9490 116.7947 55.6680 29.2337 175.8414 86 W 4.1708 7.7609 129.2581 58.4175 31.6751 176.2276 87 F 4.6427 7.6591 115.2146 54.7730 40.1864 173.8753 88 P 4.2746 0.0000 0.0000 62.5147 31.5506 175.3716 89 E 4.0998 8.6201 121.3032 58.0566 29.7372 177.4610 90 G 3.9927 9.0321 113.6510 45.8393 0.0000 173.7715 91 R 4.4452 7.7670 116.6060 55.4753 30.8431 176.1092 92 A 3.3252 7.7487 121.5049 51.2858 18.8494 176.0155 93 P 4.6631 0.0000 0.0000 62.0971 32.4201 176.1323 94 T 4.2659 8.2145 110.9543 62.2812 69.7221 173.3060 95 R 5.3793 8.5088 117.7308 54.7564 33.0883 174.1355 96 A 4.5438 8.2919 120.9914 50.7784 22.4241 174.4154 97 C 5.8178 8.9851 123.0050 56.8616 34.2282 172.9666 98 S 4.7102 8.3257 118.7739 56.8325 66.8902 172.3580 99 L 4.9444 8.3605 119.6794 54.1934 42.4681 176.4430 100 A 4.7059 8.8402 123.5536 50.3298 23.2724 174.9199 101 E 4.1838 8.7579 121.4393 55.4885 30.1941 176.4758 102 L 4.7317 8.1929 126.0392 53.2894 43.6966 176.9338 103 I 3.7221 8.6152 120.9536 63.9309 37.4213 176.3524 104 D 4.2276 6.3952 120.1484 51.4956 41.6326 175.1111 105 P 4.3634 0.0000 0.0000 64.7948 31.5569 177.7105 106 R 4.1189 8.0125 116.9945 57.8836 30.3124 177.0371 107 W 4.7560 7.7958 118.8917 56.8776 29.4816 176.2585 108 R 4.6562 9.4649 122.4696 57.1812 31.0866 176.4362 109 V 4.8979 7.4205 115.7913 60.9574 34.1688 172.0226 110 E 5.2218 8.7299 122.3201 53.9682 34.1385 173.4651 *112 I 4.2405 8.1002 119.6501 61.1641 38.8369 175.2707 113 V 4.9091 8.7339 125.9739 61.0182 34.9570 174.1493 114 V 4.7055 8.6912 126.4895 61.0871 34.3719 174.1291 115 A 5.1806 8.8802 127.9271 50.4212 23.1699 174.5464 116 A 4.8147 8.8737 121.1715 50.8849 21.1712 177.7072 117 R 4.4879 8.8031 120.1028 54.0916 30.2919 174.3168 118 E 4.6154 8.4763 122.2502 54.8163 32.9238 176.9971 119 G 3.7871 8.6368 109.3203 45.4470 0.0000 173.1524 120 H 4.7919 7.9591 114.4796 54.4716 29.2458 171.8926 121 H 4.6000 7.6767 118.8811 54.6199 30.4092 174.5717 122 H 4.8755 8.3440 121.0617 54.6496 30.5053 174.8250 123 H 4.4651 8.4439 118.4702 56.1517 29.5700 173.4237 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 4 H 8.44 4.79 0.00 3.19 3.30 0.00 5.68 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 5 I 8.31 4.00 1.88 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 1.36 0.61 0.93 0.00 0.00 6 E 9.97 4.65 0.00 2.08 1.62 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 2.21 2.30 0.00 7 R 8.21 5.00 0.00 1.53 1.75 0.00 3.11 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 1.53 1.58 0.00 8 F 8.29 4.63 0.00 2.88 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 9 E 8.66 3.74 0.00 2.25 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 2.37 2.38 0.00 10 V 7.43 4.79 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 11 V 8.43 4.61 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 0.73 0.00 0.00 1.04 0.00 0.00 12 K 8.78 3.87 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 13 R 8.01 4.09 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 R 7.57 4.39 0.00 1.96 1.97 0.00 2.84 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 15 A 8.39 4.90 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 16 E 8.77 4.16 0.00 2.12 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 2.57 2.63 0.00 *18 A 7.84 4.71 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 19 L 9.47 5.16 0.00 2.17 1.73 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.45 5.13 0.00 3.30 3.39 0.00 5.81 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 21 G 8.91 3.79 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 0.00 0.00 0.00 22 N 8.85 4.95 0.00 2.74 3.00 0.00 0.00 6.66 7.05 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 23 T 8.04 4.91 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 0.94 0.00 0.00 24 V 8.74 4.79 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 1.03 0.00 0.00 0.90 0.00 0.00 25 Y 9.22 5.01 0.00 2.88 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 26 I 8.76 4.67 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.92 0.00 0.00 27 G 8.64 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 0.00 0.00 0.00 28 G 8.59 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 0.00 0.00 0.00 29 Q 8.66 4.59 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.25 0.00 30 V 7.61 4.41 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 0.00 0.00 -0.31 0.00 0.00 0.01 0.00 0.00 31 A 8.02 4.09 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 32 D 8.91 4.42 0.00 2.68 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 33 D 8.55 4.81 0.00 2.58 2.58 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 34 P 0.00 4.87 0.00 2.55 2.46 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 35 S 8.29 4.32 0.00 4.04 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 36 G 8.00 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 0.00 0.00 0.00 37 D 8.21 4.70 0.00 2.98 2.86 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 38 I 8.24 3.67 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.98 0.00 0.00 39 Q 8.09 3.97 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 40 D 8.78 4.30 0.00 2.81 2.83 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 41 Q 8.29 4.01 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 42 T 8.23 3.81 4.34 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 1.18 0.00 0.00 43 R 8.02 3.52 0.00 1.97 1.95 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 44 Q 8.06 3.95 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 45 I 7.62 3.59 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.82 0.00 0.00 46 L 7.71 3.59 0.00 0.27 0.13 0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.22 4.14 0.00 2.15 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 0.00 2.35 2.42 0.00 48 N 8.25 4.31 0.00 2.94 2.74 0.00 0.00 7.22 7.18 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 49 I 7.94 3.65 1.97 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 1.40 0.48 0.95 0.00 0.00 50 D 8.24 4.35 0.00 3.23 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 51 R 8.11 3.84 0.00 1.92 2.07 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 L 8.06 3.89 0.00 1.86 1.65 0.92 0.69 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 53 L 8.21 3.88 0.00 1.76 1.65 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.52 4.37 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 55 S 7.87 4.22 0.00 3.96 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 0.00 56 V 6.97 4.05 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 -0.06 0.00 0.00 0.86 0.00 0.00 57 G 8.23 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 0.00 0.00 0.00 58 S 7.69 4.80 0.00 3.83 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 59 D 7.74 4.75 0.00 2.81 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 60 R 8.58 4.21 0.00 2.05 2.37 0.00 2.53 0.00 0.00 2.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 61 G 8.51 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 0.00 0.00 0.00 62 Q 8.25 4.56 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 63 V 7.70 4.12 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 0.83 0.00 0.00 1.05 0.00 0.00 64 L 9.00 4.71 0.00 1.68 1.63 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.71 5.08 0.00 3.84 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 66 V 8.87 4.90 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 1.10 0.00 0.00 1.17 0.00 0.00 67 R 8.96 4.78 0.00 1.84 1.83 0.00 3.49 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 68 I 8.76 4.57 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.40 0.87 0.00 0.00 69 L 9.05 4.85 0.00 1.56 1.60 0.94 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.66 4.99 0.00 1.78 1.64 1.04 1.03 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 71 A 8.96 4.40 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 72 H 7.93 4.84 0.00 3.17 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 9.00 3.92 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 74 E 8.17 4.22 0.00 2.19 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 0.00 2.31 2.35 0.00 75 D 8.13 4.71 0.00 3.00 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 76 Y 8.07 4.15 0.00 3.08 3.03 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 77 A 8.19 3.98 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 78 G 8.02 3.52 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 79 L 8.00 3.95 0.00 1.77 1.89 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.05 4.39 0.00 2.54 2.72 0.00 0.00 6.72 7.54 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 81 Q 7.94 3.97 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 82 V 7.66 3.78 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 0.89 0.00 0.00 0.98 0.00 0.00 83 W 8.37 4.30 0.00 3.64 3.28 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 84 D 8.62 4.70 0.00 2.82 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 85 Q 7.95 4.41 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 86 W 7.76 4.17 0.00 3.22 2.46 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 87 F 7.66 4.64 0.00 2.93 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 88 P 0.00 4.27 0.00 2.20 2.15 0.00 3.86 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 2.09 1.92 0.00 89 E 8.62 4.10 0.00 1.95 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 2.31 2.34 0.00 90 G 9.03 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 91 R 7.77 4.45 0.00 1.92 1.91 0.00 3.16 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 92 A 7.75 3.33 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 P 0.00 4.66 0.00 2.10 1.99 0.00 2.20 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.68 0.00 94 T 8.21 4.27 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 95 R 8.51 5.38 0.00 1.44 1.67 0.00 2.21 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 96 A 8.29 4.54 1.19 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 0.00 0.00 97 C 8.99 5.82 0.00 2.88 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 98 S 8.33 4.71 0.00 3.83 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 99 L 8.36 4.94 0.00 1.52 1.61 0.88 0.77 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 0.00 100 A 8.84 4.71 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 0.00 101 E 8.76 4.18 0.00 1.94 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 2.27 2.31 0.00 102 L 8.19 4.73 0.00 1.89 2.03 1.15 1.01 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 0.00 103 I 8.62 3.72 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.84 0.00 0.00 104 D 6.40 4.23 0.00 1.58 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 0.00 105 P 0.00 4.36 0.00 2.00 2.04 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 106 R 8.01 4.12 0.00 1.82 2.20 0.00 3.17 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 107 W 7.80 4.76 0.00 3.51 2.99 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 0.00 108 R 9.46 4.66 0.00 1.81 2.03 0.00 3.17 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 V 7.42 4.90 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 0.56 0.00 0.00 1.00 0.00 0.00 110 E 8.73 5.22 0.00 1.92 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 2.13 2.12 0.00 *112 I 8.10 4.24 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 1.24 0.55 0.96 0.00 0.00 113 V 8.73 4.91 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 1.05 0.00 0.00 0.98 0.00 0.00 114 V 8.69 4.71 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 0.59 0.00 0.00 0.90 0.00 0.00 115 A 8.88 5.18 1.15 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 0.00 0.00 116 A 8.87 4.81 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 0.00 117 R 8.80 4.49 0.00 1.76 1.81 0.00 3.39 0.00 0.00 3.40 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 118 E 8.48 4.62 0.00 1.97 1.82 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 2.20 2.20 0.00 119 G 8.64 3.79 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 0.00 0.00 0.00 120 H 7.96 4.79 0.00 2.97 3.09 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 7.68 4.60 0.00 3.25 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.34 4.88 0.00 3.09 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.44 4.47 0.00 3.08 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.