NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.3438 8.3649 120.3166 53.1195 40.6021 175.4148 6 F 3.9783 8.6176 111.5957 57.9566 35.8295 171.7979 7 E 4.5226 9.6292 129.0735 55.3364 32.1553 174.3410 8 E 5.2249 8.7208 124.5582 54.5665 31.9456 175.4750 9 K 4.7181 9.4948 123.5701 54.6766 36.1120 175.0183 10 M 4.8798 8.6663 122.7898 54.6202 31.8667 176.1291 11 I 4.0644 8.9490 126.3477 63.6576 37.6528 176.2042 12 L 4.7745 7.6577 120.1786 54.5188 43.8255 173.5945 13 I 5.2685 8.3561 113.4143 59.1846 40.1210 174.6856 14 R 4.7108 9.3229 123.3332 54.1712 32.7229 174.1255 15 R 4.3942 8.5177 122.7298 54.9524 31.3563 175.1161 16 T 4.6511 8.3654 116.7187 59.7182 71.1006 173.8440 17 A 4.9978 8.7575 127.9715 51.7711 19.9508 175.7837 18 R 4.7105 8.4465 117.9149 54.9512 34.4383 173.5656 19 M 4.9499 8.5484 121.0784 53.7064 34.8533 175.1605 20 Q 4.5952 8.6747 121.1270 53.5521 32.7628 174.8774 21 A 4.0619 8.3947 121.1192 53.4166 19.0766 177.6356 22 G 4.1537 9.0482 115.1769 46.3052 0.0000 173.7968 23 G 4.1316 7.4096 106.8880 42.9534 0.0000 170.5374 24 R 4.6758 8.1238 115.3480 54.5025 31.1574 176.7584 25 R 4.1396 7.9753 123.2768 55.4068 32.8083 174.7267 26 F 5.6940 8.0314 117.1127 57.4558 43.6040 173.6655 27 R 4.6803 7.8839 116.4439 56.0319 35.3196 174.1049 28 F 5.2210 8.9592 118.5549 55.7519 43.1681 174.4424 29 G 4.3150 9.4693 109.4503 44.2933 0.0000 171.9792 30 A 5.2713 8.4772 124.9930 49.9392 22.4613 174.4913 31 L 5.4151 8.9972 125.8586 53.6014 44.1121 175.5518 32 V 4.9444 8.9940 126.2464 59.8643 35.0696 174.5410 33 V 4.9668 9.5231 123.8547 61.1595 34.0036 174.6880 34 V 4.8383 8.6222 126.9561 60.1598 34.7325 174.7027 35 G 4.1294 8.5902 109.2247 46.2784 0.0000 173.2257 36 D 4.9100 9.1144 118.5830 52.7319 40.4692 178.0356 37 R 4.2239 8.0317 117.0434 56.7881 28.2555 176.3012 38 Q 4.5078 10.2903 116.1286 55.7891 29.1729 176.2361 39 G 4.2751 8.9730 105.3698 45.2828 0.0000 173.1342 40 R 5.1529 8.1171 117.6788 54.2995 33.9483 174.7683 41 V 4.8437 8.6431 115.8156 59.6613 36.5473 174.7614 42 G 4.4018 9.3577 108.8250 44.5727 0.0000 171.2971 43 L 5.3478 8.4986 123.4102 53.0541 45.8211 175.3257 44 G 4.4346 9.0398 111.4875 44.7883 0.0000 171.2069 45 F 5.6020 9.0170 126.0340 56.3179 41.6080 174.3492 46 G 4.1270 8.8871 113.7518 44.1678 0.0000 171.0773 47 K 5.2418 8.4497 122.3916 54.3927 34.7272 175.3135 48 A 4.6438 8.8233 125.0862 49.9138 22.8009 174.4042 49 P 4.3044 0.0000 0.0000 65.8116 30.6404 176.3022 50 E 4.3443 7.9458 119.6446 53.3278 31.8992 176.7205 51 V 3.2101 7.0552 119.2626 66.7409 31.2728 175.9823 52 P 4.0815 0.0000 0.0000 65.7156 31.2547 178.1996 53 L 3.9149 7.8696 117.3696 57.9685 41.6370 179.7243 54 A 4.0047 7.6121 120.7441 55.0891 18.2579 179.6336 55 V 3.5039 8.2141 116.9019 65.9335 31.4746 177.4760 56 Q 4.2516 8.1190 118.4423 57.7710 29.3914 177.3488 57 K 4.1554 7.9609 119.9863 59.0453 32.0877 178.6483 58 A 4.1772 8.6150 122.0689 54.9863 18.4423 179.3888 59 G 3.9364 7.8527 103.1584 48.3494 0.0000 174.9055 60 Y 4.2030 8.0586 121.6409 60.7074 38.6676 177.4008 61 Y 3.6793 7.7770 115.9614 61.4101 38.0874 178.3441 62 A 4.1996 8.5012 121.6408 54.7264 18.5360 179.2146 63 R 3.8824 7.8837 115.7121 58.5018 30.7403 178.0100 64 R 3.9757 7.0191 116.6350 56.6335 30.6949 174.4837 65 N 4.0134 8.6628 122.4171 53.8819 36.1734 172.2748 66 M 4.9939 7.9590 121.3507 52.8238 36.8455 174.3484 67 V 4.4222 8.7699 118.6382 61.3665 35.3141 173.6246 68 E 4.7040 8.8533 128.7824 55.4239 30.3874 175.2853 69 V 4.0272 8.6986 128.5514 61.0079 32.4386 175.1717 70 P 4.4960 0.0000 0.0000 62.4682 28.9264 176.0421 71 L 4.4518 7.8161 123.1898 54.7319 42.9369 177.9182 72 Q 4.4504 8.2926 113.1851 56.3903 31.3040 174.9724 73 N 4.3706 8.8663 117.7954 52.8488 38.6722 173.8362 74 G 4.0176 7.1771 107.0951 46.2534 0.0000 173.3182 75 T 4.7618 7.6582 113.1247 60.0570 70.7454 172.6767 76 I 4.0470 8.0767 125.0910 60.3764 37.5719 175.5280 77 P 4.5001 0.0000 0.0000 63.3405 31.2298 175.9395 78 H 4.3659 6.6125 111.7894 56.4062 33.2681 172.8566 79 E 5.1145 8.6489 118.3608 55.2334 31.3889 175.6840 80 I 4.7630 8.5092 115.9993 59.1306 41.6720 173.8845 81 E 5.0031 8.6736 123.3406 54.6980 32.2244 174.6599 82 V 4.5784 8.8966 126.3527 61.1377 35.2795 173.9606 83 E 5.0748 8.9303 125.9400 54.4727 32.0834 175.3980 84 F 4.8551 10.1849 124.6800 56.9925 41.9223 174.2154 85 G 3.5789 8.2884 119.2947 46.8700 0.0000 172.9186 86 A 4.6605 8.2723 120.1376 52.3293 20.1643 176.4993 87 S 5.2683 8.1174 114.9140 57.1135 64.9486 172.6239 88 K 5.0316 9.0362 128.5023 54.6529 35.3139 174.4843 89 I 5.0616 8.8890 125.5697 59.2584 42.1505 173.9878 90 V 4.8754 8.5073 126.5815 61.1725 34.7606 173.8896 91 L 5.2257 9.0323 128.0943 52.8605 44.4720 175.4485 92 K 4.9587 9.2195 124.6894 53.8333 35.5792 173.6927 93 P 4.8293 0.0000 0.0000 62.8591 32.2282 175.0606 94 A 4.9162 8.3547 122.2462 49.8338 22.7881 175.7343 95 A 4.2251 8.3899 121.3061 50.8438 19.3783 175.7083 96 P 5.2972 0.0000 0.0000 63.7941 31.8804 176.1698 97 G 4.1163 9.2364 109.3045 46.2278 0.0000 175.0155 98 T 3.8049 7.3993 115.3824 66.8110 68.6139 174.6007 99 G 3.7886 9.3803 106.6742 43.5058 0.0000 172.6038 100 V 4.1935 7.7429 111.9454 60.3085 30.7815 175.9820 101 I 4.1897 8.5978 126.5935 60.3656 36.8853 174.5587 102 A 4.8767 7.4959 127.2969 52.1608 22.4779 174.9050 103 G 3.9658 8.4366 106.2837 44.5494 0.0000 176.0659 104 A 3.5064 7.2100 119.9836 54.5331 20.4978 180.1145 105 V 3.5060 7.6867 113.1251 65.4797 32.1593 176.4168 106 P 4.1988 0.0000 0.0000 66.5763 31.3611 177.7106 107 R 3.4854 9.1158 114.5396 59.5652 29.3129 178.6889 108 A 3.9523 7.7763 118.9922 55.1906 19.0056 179.9214 109 I 3.6874 7.6129 118.5773 64.4165 37.0030 178.6798 110 L 4.0664 8.7383 120.6227 57.1710 41.3381 179.4380 111 E 3.9661 8.0355 118.4344 59.5056 29.8453 179.0949 112 L 3.9060 7.6628 117.8612 57.2681 41.6715 179.3114 113 A 4.0854 7.6907 120.7785 53.0109 18.6071 177.4444 114 G 4.1748 8.9041 105.3635 46.6655 0.0000 173.5660 115 V 4.4480 7.3245 116.6864 61.0940 34.5340 173.7534 116 T 4.4549 8.7207 119.0353 63.3667 69.5714 173.3272 117 D 5.3336 7.4300 120.3585 52.4825 44.1354 174.8140 118 I 4.3772 8.3612 120.0641 60.4655 42.4125 172.4756 119 L 5.2400 9.0610 128.7891 53.4445 44.6839 175.5495 120 T 5.6607 8.1606 110.5852 60.7402 73.3950 172.4567 121 K 4.6396 8.2824 120.6984 55.6197 35.7404 173.6418 122 E 4.7263 8.8879 127.5236 55.3259 30.4914 175.4568 123 L 4.5994 8.7752 124.8874 53.8187 45.0106 178.1445 124 G 3.8926 8.6878 108.7723 45.4284 0.0000 173.2978 125 S 4.0723 9.0114 117.1627 58.9428 62.8001 176.1675 126 R 4.8577 8.2001 127.4596 55.5702 29.6357 177.0232 127 N 4.4220 7.9985 117.7113 54.7571 39.9045 171.3104 128 P 3.7881 0.0000 0.0000 66.2985 30.9713 177.8114 129 I 2.9205 7.2498 119.3538 63.0132 37.2980 177.4096 130 N 4.4859 8.2758 116.7501 55.4296 39.0835 177.3280 131 I 3.6742 7.8971 121.2665 64.3464 37.3506 177.9868 132 A 3.8986 8.0325 121.6722 55.7594 18.1397 179.4123 133 Y 4.1746 7.1786 114.2491 60.8930 37.7537 178.9012 134 A 3.7490 8.2372 122.2786 55.3156 18.4595 179.3858 135 T 3.7598 8.2038 114.7262 67.3283 68.5122 176.3135 136 M 3.9733 7.7756 119.5835 58.7294 31.8342 178.7433 137 E 3.6831 7.6237 116.3564 59.1737 29.7811 179.2978 138 A 4.0891 7.8268 120.9415 55.0851 18.4850 179.1797 139 L 3.8582 8.0578 117.4604 58.2557 41.6822 179.8427 140 R 3.9297 8.5201 116.9803 58.3205 30.1032 176.9195 141 Q 4.4687 8.1136 117.0790 55.5856 30.0053 175.0121 142 L 4.2569 7.2842 119.3023 56.0234 42.2801 176.0281 143 R 4.6713 7.9009 117.4176 54.5758 34.2285 174.7301 144 T 4.6970 8.1874 112.7045 59.1880 71.8166 174.3452 145 K 3.7760 8.6901 124.6658 59.9561 31.9862 178.0400 146 A 3.9715 8.0816 119.9519 55.5295 18.2497 178.8419 147 D 4.3092 8.1059 115.9679 57.6074 40.9074 179.2647 148 V 3.5814 8.0643 118.7166 66.0382 31.4958 177.6564 149 E 3.8677 8.4151 119.0126 59.2576 29.3142 178.3036 150 R 3.8735 8.2235 117.7247 60.2368 30.0902 177.7601 151 L 4.0603 7.8859 117.1629 57.5077 41.6569 178.9979 152 R 4.0651 8.3552 119.4146 58.3260 30.4415 179.2581 153 K 3.8361 8.9607 114.4848 56.0730 32.0353 178.9942 154 G 3.7371 8.7292 117.1382 45.9040 0.0000 174.3698 *155 E 4.1319 8.5055 113.1030 56.0208 30.4399 174.9173 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 5 D 8.36 4.34 0.00 2.58 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 6 F 8.62 3.98 0.00 3.16 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 7 E 9.63 4.52 0.00 2.10 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 2.29 2.31 0.00 8 E 8.72 5.22 0.00 1.89 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 2.23 2.35 0.00 9 K 9.49 4.72 0.00 1.61 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 10 M 8.67 4.88 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 11 I 8.95 4.06 1.97 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 1.40 0.77 0.86 0.00 0.00 12 L 7.66 4.77 0.00 1.66 1.71 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.36 5.27 1.99 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 1.44 0.66 0.96 0.00 0.00 14 R 9.32 4.71 0.00 1.82 2.09 0.00 3.09 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 1.53 1.72 0.00 15 R 8.52 4.39 0.00 1.42 1.56 0.00 2.97 0.00 0.00 2.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 16 T 8.37 4.65 4.25 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 1.20 0.00 0.00 17 A 8.76 5.00 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 18 R 8.45 4.71 0.00 1.84 1.65 0.00 3.01 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 1.47 1.56 0.00 19 M 8.55 4.95 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 20 Q 8.67 4.60 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 21 A 8.39 4.06 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 22 G 9.05 4.15 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 0.00 23 G 7.41 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 24 R 8.12 4.68 0.00 1.63 1.80 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 25 R 7.98 4.14 0.00 1.64 1.83 0.00 3.21 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 26 F 8.03 5.69 0.00 2.93 2.60 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 27 R 7.88 4.68 0.00 1.84 1.78 0.00 3.08 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 1.59 0.00 28 F 8.96 5.22 0.00 2.99 2.91 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 29 G 9.47 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 0.00 0.00 0.00 0.00 30 A 8.48 5.27 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 31 L 9.00 5.42 0.00 1.87 1.59 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.99 4.94 2.14 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 0.80 0.00 0.00 1.01 0.00 0.00 33 V 9.52 4.97 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 0.96 0.00 0.00 0.92 0.00 0.00 34 V 8.62 4.84 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 0.55 0.00 0.00 0.75 0.00 0.00 35 G 8.59 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 36 D 9.11 4.91 0.00 2.91 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 37 R 8.03 4.22 0.00 2.09 2.18 0.00 3.17 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 38 Q 10.29 4.51 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 39 G 8.97 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 0.00 0.00 0.00 0.00 40 R 8.12 5.15 0.00 2.27 1.88 0.00 3.15 0.00 0.00 3.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 41 V 8.64 4.84 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 0.78 0.00 0.00 0.90 0.00 0.00 42 G 9.36 4.40 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 0.00 43 L 8.50 5.35 0.00 1.70 1.52 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 4.43 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 0.00 45 F 9.02 5.60 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 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 47 K 8.45 5.24 0.00 1.52 1.63 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.15 0.94 7.81 48 A 8.82 4.64 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 49 P 0.00 4.30 0.00 2.15 2.26 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 50 E 7.95 4.34 0.00 1.96 1.69 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 2.32 2.29 0.00 51 V 7.06 3.21 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 0.80 0.00 0.00 0.02 0.00 0.00 52 P 0.00 4.08 0.00 2.13 1.97 0.00 3.52 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 2.04 2.12 0.00 53 L 7.87 3.91 0.00 1.67 1.77 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.61 4.00 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 55 V 8.21 3.50 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 1.00 0.00 0.00 0.93 0.00 0.00 56 Q 8.12 4.25 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 57 K 7.96 4.16 0.00 2.21 2.01 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.79 1.64 7.81 58 A 8.61 4.18 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 59 G 7.85 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 60 Y 8.06 4.20 0.00 3.04 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 61 Y 7.78 3.68 0.00 3.38 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 62 A 8.50 4.20 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 63 R 7.88 3.88 0.00 1.86 2.13 0.00 3.52 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 64 R 7.02 3.98 0.00 1.68 1.69 0.00 3.10 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.00 65 N 8.66 4.01 0.00 2.80 2.82 0.00 0.00 6.84 7.65 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 66 M 7.96 4.99 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 67 V 8.77 4.42 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 0.92 0.00 0.00 0.90 0.00 0.00 68 E 8.85 4.70 0.00 2.01 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 2.26 2.37 0.00 69 V 8.70 4.03 2.08 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 0.80 0.00 0.00 0.92 0.00 0.00 70 P 0.00 4.50 0.00 2.05 1.99 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 71 L 7.82 4.45 0.00 1.63 1.63 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.29 4.45 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 5.76 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 73 N 8.87 4.37 0.00 2.86 2.96 0.00 0.00 7.42 7.98 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 74 G 7.18 4.02 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 0.00 0.00 0.00 75 T 7.66 4.76 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 1.20 0.00 0.00 76 I 8.08 4.05 1.95 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 1.46 1.27 0.92 0.00 0.00 77 P 0.00 4.50 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 78 H 6.61 4.37 0.00 3.25 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.65 5.11 0.00 1.84 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 2.23 2.36 0.00 80 I 8.51 4.76 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 1.18 1.34 0.95 0.00 0.00 81 E 8.67 5.00 0.00 1.94 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 2.19 2.28 0.00 82 V 8.90 4.58 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 1.04 0.00 0.00 0.94 0.00 0.00 83 E 8.93 5.07 0.00 2.01 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 2.23 2.28 0.00 84 F 10.18 4.86 0.00 2.99 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 85 G 8.29 3.58 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 0.00 0.00 0.00 86 A 8.27 4.66 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 87 S 8.12 5.27 0.00 3.92 4.02 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 88 K 9.04 5.03 0.00 1.85 1.77 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.89 5.06 1.88 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 1.11 1.19 1.02 0.00 0.00 90 V 8.51 4.88 2.08 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 0.94 0.00 0.00 0.94 0.00 0.00 91 L 9.03 5.23 0.00 1.60 1.53 0.91 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.22 4.96 0.00 1.73 1.59 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 93 P 0.00 4.83 0.00 2.12 2.23 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.35 4.92 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 95 A 8.39 4.23 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 96 P 0.00 5.30 0.00 2.05 2.01 0.00 3.69 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 97 G 9.24 4.12 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 0.00 0.00 0.00 98 T 7.40 3.80 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 99 G 9.38 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 0.00 100 V 7.74 4.19 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 101 I 8.60 4.19 2.03 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 1.16 0.98 0.91 0.00 0.00 102 A 7.50 4.88 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 0.00 103 G 8.44 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 0.00 104 A 7.21 3.51 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 0.00 105 V 7.69 3.51 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 0.95 0.00 0.00 0.88 0.00 0.00 106 P 0.00 4.20 0.00 2.20 2.11 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 107 R 9.12 3.49 0.00 1.81 2.05 0.00 3.12 0.00 0.00 3.17 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 108 A 7.78 3.95 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 0.00 109 I 7.61 3.69 1.99 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 1.50 0.85 0.88 0.00 0.00 110 L 8.74 4.07 0.00 1.78 1.70 0.91 0.18 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 0.00 111 E 8.04 3.97 0.00 2.01 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 0.00 2.39 2.54 0.00 112 L 7.66 3.91 0.00 1.63 1.69 1.04 1.05 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 0.00 113 A 7.69 4.09 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 0.00 114 G 8.90 4.17 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 0.00 115 V 7.32 4.45 2.33 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 0.86 0.00 0.00 0.92 0.00 0.00 116 T 8.72 4.45 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 1.29 0.00 0.00 117 D 7.43 5.33 0.00 2.60 2.57 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 0.00 118 I 8.36 4.38 1.87 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 1.23 1.17 0.91 0.00 0.00 119 L 9.06 5.24 0.00 1.68 1.52 0.92 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.16 5.66 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 0.00 121 K 8.28 4.64 0.00 1.86 1.64 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 122 E 8.89 4.73 0.00 1.88 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 2.25 2.32 0.00 123 L 8.78 4.60 0.00 1.56 1.53 0.92 0.67 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 0.00 124 G 8.69 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 0.00 125 S 9.01 4.07 0.00 3.81 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 0.00 126 R 8.20 4.86 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 127 N 8.00 4.42 0.00 2.73 2.72 0.00 0.00 6.99 7.45 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 0.00 128 P 0.00 3.79 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 129 I 7.25 2.92 1.54 0.00 0.00 0.72 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 0.02 0.00 0.00 130 N 8.28 4.49 0.00 3.17 2.94 0.00 0.00 6.89 6.79 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 0.00 131 I 7.90 3.67 1.93 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 1.44 0.89 1.01 0.00 0.00 132 A 8.03 3.90 1.11 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 0.00 0.00 0.00 0.00 0.00 133 Y 7.18 4.17 0.00 2.99 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 0.00 0.00 0.00 134 A 8.24 3.75 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 0.00 135 T 8.20 3.76 4.39 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 1.18 0.00 0.00 136 M 7.78 3.97 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 137 E 7.62 3.68 0.00 1.94 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 2.40 0.00 138 A 7.83 4.09 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 0.00 139 L 8.06 3.86 0.00 1.79 1.73 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.52 3.93 0.00 1.79 1.98 0.00 3.38 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 141 Q 8.11 4.47 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 142 L 7.28 4.26 0.00 1.70 1.53 0.88 1.00 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 0.00 143 R 7.90 4.67 0.00 1.82 1.81 0.00 3.32 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 144 T 8.19 4.70 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 1.29 0.00 0.00 145 K 8.69 3.78 0.00 1.91 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.61 7.81 146 A 8.08 3.97 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 0.00 147 D 8.11 4.31 0.00 2.85 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 0.00 148 V 8.06 3.58 2.25 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 1.08 0.00 0.00 0.99 0.00 0.00 149 E 8.42 3.87 0.00 2.29 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 0.00 2.31 2.36 0.00 150 R 8.22 3.87 0.00 2.01 2.02 0.00 3.48 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 1.66 1.85 0.00 151 L 7.89 4.06 0.00 1.87 1.65 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.36 4.07 0.00 1.76 2.02 0.00 3.19 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 1.68 1.87 0.00 153 K 8.96 3.84 0.00 1.88 1.63 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.62 7.81 154 G 8.73 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 *155 E 8.51 4.13 0.00 1.75 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 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.