NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.4754 8.1300 115.1800 56.6854 39.8950 176.8175 13 V 3.4319 8.0085 123.1189 66.7367 31.0825 175.3214 14 A 4.0286 8.7406 120.2949 55.1585 19.1498 178.5103 15 E 4.1036 8.2268 116.5632 59.6423 29.5851 179.3723 16 L 4.0420 8.2593 119.0557 58.0216 41.7988 179.2476 17 N 4.3453 8.3735 116.3130 56.4560 38.2328 176.7659 18 N 4.4985 7.9177 116.7378 55.6044 39.2415 175.8357 19 L 4.4759 7.9750 119.5469 53.4851 42.0736 176.1851 20 L 4.2975 7.1371 119.9841 56.4354 41.9224 177.8055 21 G 3.9944 9.2347 112.2924 45.0186 0.0000 173.3140 22 R 4.7019 7.9332 118.9103 54.2132 33.0415 175.2490 23 E 4.7092 8.6037 122.3672 56.5127 30.6914 175.9587 24 V 4.7297 9.0743 118.5406 60.0352 37.1996 173.4410 25 Q 5.1143 8.9528 122.7284 54.3702 31.9708 174.2197 26 V 4.7669 9.0764 126.0643 61.1479 34.4109 174.1383 27 V 4.3926 8.5805 128.7878 61.9000 32.9861 175.0006 28 L 5.3516 8.6730 128.0704 53.2980 43.7498 177.8828 29 S 4.3924 9.0487 115.6812 60.1698 63.2968 174.6463 30 N 4.6620 8.2499 117.8492 52.7530 37.3370 175.9372 31 G 3.9755 8.1087 108.1903 45.5087 0.0000 173.9684 32 E 4.3518 8.6688 119.7629 56.1385 31.4391 175.9841 33 V 4.8839 7.8605 119.7453 61.6320 35.1786 173.3612 34 Y 4.9689 8.8641 124.9770 55.9457 41.2944 174.4996 35 K 4.9911 9.1930 124.5549 54.3844 35.7872 175.3861 36 G 4.1841 8.1582 112.5459 46.1030 0.0000 171.6497 37 V 4.3767 7.7926 120.2799 62.1313 32.8708 175.0883 38 L 4.3219 9.0223 130.5475 55.9404 41.9100 176.2486 39 H 4.5875 9.1868 127.7301 58.0284 30.9576 175.0116 40 A 4.7641 7.6673 117.1782 51.0144 22.5871 175.7008 41 V 4.9679 8.2620 112.4827 60.1019 36.0231 174.1637 42 D 5.0981 8.3930 124.1878 51.1226 42.0965 176.3951 43 N 4.2113 8.6914 115.3133 56.4620 38.4226 176.1472 44 Q 3.9552 8.0011 114.5834 55.3768 28.9316 175.8185 45 L 3.8188 8.0074 117.1200 55.6192 39.4826 174.4712 46 N 4.8744 8.2680 115.3010 53.5774 40.0775 174.1250 47 I 4.9372 8.7910 121.5595 59.5555 41.5400 174.5607 48 V 4.6971 8.8056 125.4441 61.1014 34.1449 174.0713 49 L 5.2283 8.7396 127.6465 52.9477 44.5616 175.2852 50 A 4.8988 8.9594 124.7641 50.4415 21.7838 176.1548 51 N 4.2495 8.1886 116.4588 54.3072 36.9086 173.5333 52 A 5.1607 8.0278 120.0893 50.9540 22.5357 177.5553 53 S 5.5721 9.5003 112.8364 57.0095 67.2051 173.2226 54 N 5.2454 8.2624 118.2913 50.1103 39.9098 175.4662 55 K 3.7835 8.4734 117.1642 59.7486 32.0325 178.4236 56 A 4.0563 7.8584 117.4166 52.7331 17.9892 178.1838 57 G 3.9357 8.1237 105.1342 45.4902 0.0000 174.4284 58 E 3.9309 8.0152 119.8670 56.0305 30.0655 175.6211 59 K 4.9249 7.8051 123.0992 54.6908 35.2710 175.0674 60 F 4.8963 9.1897 123.2082 55.7566 43.1519 175.2670 61 N 4.4110 9.1916 121.5300 56.4134 40.0111 174.8769 62 R 4.8299 7.8386 115.4910 54.2680 34.2428 174.9163 63 V 3.9684 8.5046 123.5560 61.0331 34.2487 174.3448 64 F 4.8861 8.7842 127.7156 56.8057 39.6100 175.1354 65 I 4.5245 8.7140 130.2645 60.3417 39.9213 176.1876 *67 Y 4.7407 8.4848 119.0157 58.1154 39.7385 177.4529 68 R 3.7024 7.0521 117.7849 58.2568 30.3207 176.6152 69 Y 4.4660 7.8261 113.8696 57.5381 38.5296 174.4327 70 I 4.4125 7.5689 121.9969 60.9569 37.4049 175.9249 71 V 4.0938 9.0359 128.8497 65.3700 31.9057 175.5537 72 H 5.0260 7.8256 113.6535 54.5846 31.7608 171.7049 73 I 4.9639 8.2726 119.7310 59.7317 39.8666 174.8085 74 D 4.9966 9.2643 125.2387 52.5544 44.8894 174.6559 75 S 4.9285 8.6192 115.9197 56.5858 65.3794 173.5088 76 T 4.4711 8.6338 114.8859 61.3446 69.0175 173.6677 77 E 4.6361 7.5956 120.7036 54.8698 31.0770 175.1942 78 R 3.7882 7.6731 119.3444 53.9431 30.6763 173.5993 79 R 3.7866 7.8466 135.0000 55.7253 27.3538 176.0415 80 I 3.9252 8.1156 123.6540 60.9492 37.9809 175.2793 81 D 4.9836 8.6471 122.9892 52.4211 44.8035 176.1354 *83 R 3.6869 8.3226 118.5706 55.9622 32.1036 178.0120 84 E 3.9401 8.0020 117.2867 59.0773 29.5658 178.5273 85 F 3.2668 8.0389 120.4860 60.9066 39.2807 176.7207 86 A 3.8843 8.0067 119.7805 55.2641 17.9236 179.4084 87 K 3.8009 7.6792 115.4034 59.8818 32.5634 179.2869 88 Q 4.0377 7.9366 117.8829 58.8581 28.6162 178.6143 89 A 3.9504 7.9154 122.2271 54.9749 18.1456 179.2546 90 E 4.1301 8.3653 117.9042 59.1928 29.3775 179.1781 91 K 3.9931 7.6351 117.6674 58.9270 32.1631 178.7449 92 I 3.8662 7.4442 118.7284 62.0807 38.8260 176.1342 93 F 4.8977 8.2106 117.2060 54.2927 38.9015 172.8527 94 P 4.5562 0.0000 0.0000 63.5882 31.9631 177.1745 95 G 3.5568 9.1193 109.7560 46.5412 0.0000 173.7431 *97 V 4.1055 7.5531 117.0428 62.3401 32.9419 174.5979 98 K 4.6266 8.8278 127.9744 54.8450 35.2338 174.1620 99 Y 4.7451 8.7195 128.4214 56.9750 40.8701 174.0429 100 I 3.9862 7.6824 127.7545 59.1089 37.0286 176.1571 101 E 3.7563 8.2717 126.7159 58.9499 29.8496 179.4432 102 E 4.2334 8.1040 118.3263 58.6941 29.5490 177.4077 103 T 4.4114 6.8733 103.5039 59.9551 70.0995 172.8912 104 N 4.2367 8.0462 118.8189 54.4217 37.7626 172.4927 105 V 4.7117 7.1312 115.6629 61.0044 36.5798 174.1649 106 V 4.9115 8.8181 122.7330 61.0801 34.2319 173.9890 107 L 4.9762 8.9131 128.3603 53.4197 44.1610 175.7157 108 I 4.3002 8.3799 124.1094 60.2683 39.6282 176.2429 109 G 3.7195 8.4597 118.7929 45.4640 0.0000 171.3421 110 D 4.6337 8.6102 116.6614 54.4092 42.0425 177.9851 111 K 4.5030 7.9550 115.3261 56.0847 33.5564 175.4555 112 V 4.6107 7.4472 118.7698 60.9031 34.6486 174.1921 113 R 4.9120 8.9438 127.3004 54.4797 33.4592 173.7111 114 V 4.6636 8.9998 126.5561 61.0816 34.4487 174.5046 115 S 4.9189 8.2494 121.9195 56.0294 66.1443 174.2932 116 E 4.1404 9.0298 119.4025 58.7372 29.2755 177.2195 117 I 4.1784 8.0086 117.4504 60.7313 38.0663 174.1852 118 G 2.8839 6.6881 106.5527 43.2433 0.0000 172.6928 119 V 4.0842 7.5927 119.1423 61.5438 32.5217 174.9475 120 E 4.4495 10.3185 127.9763 53.1801 31.2870 175.6907 121 G 4.7186 7.5820 112.5478 43.9580 0.0000 171.6554 122 V 4.3557 7.6329 112.2476 60.3034 35.7132 174.7014 123 G 3.8807 8.7372 107.2391 43.8266 0.0000 172.7302 124 P 4.3117 0.0000 0.0000 65.7797 30.7991 178.8063 125 V 3.7312 7.7966 117.2977 65.9850 31.6418 177.7357 126 A 3.9883 7.9909 120.0089 55.1876 18.2072 179.3430 127 E 3.9971 8.3492 117.2745 59.5340 29.5831 179.4524 128 R 4.0054 8.5395 118.9184 59.3805 30.1436 178.4808 129 A 4.4121 8.6803 121.0852 55.0740 18.3842 179.7930 130 K 4.1233 8.3211 117.2001 59.5742 32.1200 179.6514 131 R 4.0135 8.1225 118.4090 59.3590 30.0661 178.8327 132 L 4.1157 8.1949 119.9695 58.1596 42.1338 178.6713 133 F 4.4579 9.1246 121.0441 61.5778 39.1175 176.9772 134 E 3.9588 8.2920 116.9341 59.4631 29.5410 178.8961 135 E 4.1314 8.3785 118.7007 59.1848 29.2845 179.1301 136 F 4.2514 8.5546 120.1378 61.3649 39.7149 176.9523 137 L 3.4861 7.7356 116.0897 55.1855 41.4012 177.4499 138 K 4.2495 7.6657 123.7516 56.8111 32.5221 175.6077 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 12 F 8.13 5.48 0.00 3.24 3.38 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 13 V 8.01 3.43 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 1.02 0.00 0.00 0.91 0.00 0.00 14 A 8.74 4.03 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 15 E 8.23 4.10 0.00 2.31 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 2.45 2.51 0.00 16 L 8.26 4.04 0.00 1.93 1.80 1.18 0.63 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 17 N 8.37 4.35 0.00 3.10 2.91 0.00 0.00 6.68 6.34 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 18 N 7.92 4.50 0.00 2.86 3.05 0.00 0.00 7.19 7.10 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 19 L 7.97 4.48 0.00 1.87 1.67 0.90 0.42 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 20 L 7.14 4.30 0.00 1.68 1.62 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.23 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 22 R 7.93 4.70 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 23 E 8.60 4.71 0.00 1.99 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 2.30 2.49 0.00 24 V 9.07 4.73 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 0.74 0.00 0.00 1.01 0.00 0.00 25 Q 8.95 5.11 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 26 V 9.08 4.77 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 0.95 0.00 0.00 0.98 0.00 0.00 27 V 8.58 4.39 1.73 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 0.93 0.00 0.00 0.80 0.00 0.00 28 L 8.67 5.35 0.00 1.93 1.65 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.05 4.39 0.00 4.07 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 30 N 8.25 4.66 0.00 2.85 2.94 0.00 0.00 6.26 7.00 0.00 0.00 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 8.11 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 32 E 8.67 4.35 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 2.35 2.32 0.00 33 V 7.86 4.88 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 0.99 0.00 0.00 0.91 0.00 0.00 34 Y 8.86 4.97 0.00 2.99 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 35 K 9.19 4.99 0.00 1.75 1.61 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.36 7.81 36 G 8.16 4.18 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 0.00 37 V 7.79 4.38 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 1.00 0.00 0.00 0.94 0.00 0.00 38 L 9.02 4.32 0.00 1.93 1.67 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.19 4.59 0.00 3.12 3.45 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.67 4.76 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 41 V 8.26 4.97 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 0.78 0.00 0.00 0.98 0.00 0.00 42 D 8.39 5.10 0.00 2.77 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 43 N 8.69 4.21 0.00 2.69 2.86 0.00 0.00 6.81 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 44 Q 8.00 3.96 0.00 1.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 45 L 8.01 3.82 0.00 1.71 1.88 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.27 4.87 0.00 2.92 2.86 0.00 0.00 6.78 7.32 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 47 I 8.79 4.94 1.93 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 1.36 1.11 0.94 0.00 0.00 48 V 8.81 4.70 2.19 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 0.75 0.00 0.00 1.13 0.00 0.00 49 L 8.74 5.23 0.00 1.55 1.53 0.98 1.15 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 50 A 8.96 4.90 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 51 N 8.19 4.25 0.00 2.82 2.83 0.00 0.00 6.84 6.87 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 52 A 8.03 5.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.50 5.57 0.00 3.89 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 54 N 8.26 5.25 0.00 2.33 1.56 0.00 0.00 6.74 6.95 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 55 K 8.47 3.78 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.34 7.81 56 A 7.86 4.06 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 57 G 8.12 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 58 E 8.02 3.93 0.00 2.00 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 2.31 2.40 0.00 59 K 7.81 4.92 0.00 1.59 1.48 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.49 7.81 60 F 9.19 4.90 0.00 2.99 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 61 N 9.19 4.41 0.00 2.88 2.85 0.00 0.00 6.91 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 62 R 7.84 4.83 0.00 1.51 0.79 0.00 2.97 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 63 V 8.50 3.97 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 0.50 0.00 0.00 0.72 0.00 0.00 64 F 8.78 4.89 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 65 I 8.71 4.52 1.99 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 1.13 0.66 0.95 0.00 0.00 *67 Y 8.48 4.74 0.00 3.29 3.53 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 68 R 7.05 3.70 0.00 1.34 1.40 0.00 2.91 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.00 69 Y 7.83 4.47 0.00 3.07 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 70 I 7.57 4.41 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 1.02 0.00 0.00 71 V 9.04 4.09 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 0.87 0.00 0.00 0.97 0.00 0.00 72 H 7.83 5.03 0.00 3.18 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.27 4.96 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.96 0.00 0.00 74 D 9.26 5.00 0.00 2.52 2.50 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 75 S 8.62 4.93 0.00 3.79 3.64 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 76 T 8.63 4.47 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 77 E 7.60 4.64 0.00 1.99 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 2.24 2.24 0.00 78 R 7.67 3.79 0.00 1.75 1.77 0.00 3.22 0.00 0.00 3.11 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 79 R 7.85 3.79 0.00 1.97 2.07 0.00 3.52 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 80 I 8.12 3.93 1.97 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 1.27 0.48 1.20 0.00 0.00 81 D 8.65 4.98 0.00 2.91 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 *83 R 8.32 3.69 0.00 1.96 1.74 0.00 3.06 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 84 E 8.00 3.94 0.00 2.16 2.42 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 2.68 2.44 0.00 85 F 8.04 3.27 0.00 2.16 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 86 A 8.01 3.88 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 87 K 7.68 3.80 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 88 Q 7.94 4.04 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 89 A 7.92 3.95 0.98 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 90 E 8.37 4.13 0.00 2.08 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 0.00 2.31 2.40 0.00 91 K 7.64 3.99 0.00 1.93 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 92 I 7.44 3.87 1.57 0.00 0.00 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 1.73 0.65 0.04 0.00 0.00 93 F 8.21 4.90 0.00 2.88 2.95 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 94 P 0.00 4.56 0.00 2.18 2.07 0.00 3.51 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 95 G 9.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 4.11 2.30 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 0.83 0.00 0.00 1.02 0.00 0.00 98 K 8.83 4.63 0.00 1.82 1.56 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 99 Y 8.72 4.75 0.00 3.17 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 0.00 100 I 7.68 3.99 1.62 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 1.14 1.00 0.84 0.00 0.00 101 E 8.27 3.76 0.00 2.22 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 0.00 2.31 2.30 0.00 102 E 8.10 4.23 0.00 1.89 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 2.28 2.33 0.00 103 T 6.87 4.41 4.20 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 1.16 0.00 0.00 104 N 8.05 4.24 0.00 2.94 2.94 0.00 0.00 6.85 7.13 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 0.00 105 V 7.13 4.71 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 0.99 0.00 0.00 0.89 0.00 0.00 106 V 8.82 4.91 2.35 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 1.09 0.00 0.00 1.29 0.00 0.00 107 L 8.91 4.98 0.00 1.59 1.51 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.38 4.30 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.90 -0.03 0.00 0.00 109 G 8.46 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.61 4.63 0.00 2.62 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 0.00 111 K 7.96 4.50 0.00 1.71 1.75 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.30 7.81 112 V 7.45 4.61 2.12 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 0.92 0.00 0.00 0.89 0.00 0.00 113 R 8.94 4.91 0.00 1.81 1.63 0.00 3.03 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 114 V 9.00 4.66 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 0.11 0.00 0.00 0.92 0.00 0.00 115 S 8.25 4.92 0.00 3.85 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 0.00 116 E 9.03 4.14 0.00 2.02 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 2.40 2.46 0.00 117 I 8.01 4.18 1.84 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 1.26 0.75 0.88 0.00 0.00 118 G 6.69 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 0.00 0.00 0.00 119 V 7.59 4.08 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 0.79 0.00 0.00 0.76 0.00 0.00 120 E 10.32 4.45 0.00 1.88 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 0.00 2.14 2.16 0.00 121 G 7.58 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.63 4.36 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 0.72 0.00 0.00 0.93 0.00 0.00 123 G 8.74 3.88 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 0.00 0.00 0.00 124 P 0.00 4.31 0.00 2.32 2.36 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 V 7.80 3.73 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 1.01 0.00 0.00 126 A 7.99 3.99 1.35 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 0.00 0.00 0.00 127 E 8.35 4.00 0.00 2.07 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 0.00 2.56 2.49 0.00 128 R 8.54 4.01 0.00 2.01 2.36 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 129 A 8.68 4.41 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 0.00 130 K 8.32 4.12 0.00 2.06 1.97 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.78 7.81 131 R 8.12 4.01 0.00 2.20 2.07 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 8.19 4.12 0.00 1.95 2.18 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.12 4.46 0.00 3.19 3.29 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 0.00 134 E 8.29 3.96 0.00 2.23 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 2.70 2.58 0.00 135 E 8.38 4.13 0.00 2.28 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 2.53 2.51 0.00 136 F 8.55 4.25 0.00 3.20 3.31 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 0.00 137 L 7.74 3.49 0.00 1.37 1.48 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.67 4.25 0.00 1.75 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.