NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0518 8.3716 117.5370 52.1141 38.8084 174.2203 2 L 4.7557 8.6398 121.0118 53.2158 45.5259 176.6961 3 F 4.6895 10.3522 122.9558 61.4355 39.8966 176.5912 4 Q 4.0058 8.5256 117.4346 58.8123 28.6944 177.8984 5 F 4.4020 8.4941 120.8968 61.6998 39.3367 177.3597 6 A 3.8744 8.1928 119.9814 55.2436 18.3383 179.8527 7 K 4.0177 7.9580 116.3772 59.6842 31.8908 179.3326 8 M 4.4707 10.2355 117.6550 59.3550 32.3181 177.5800 9 I 3.8776 8.2718 121.0765 62.8052 37.1172 178.0080 10 N 4.1434 9.1061 117.5499 56.8110 38.4849 177.0972 11 G 3.7685 8.1550 105.3453 47.8022 0.0000 173.9301 12 K 4.6454 8.0339 120.5788 55.7158 32.1231 177.1317 13 L 4.6909 8.2001 113.7306 52.9871 43.7490 175.9736 14 G 3.5472 7.9342 109.7719 45.5144 0.0000 171.3005 *16 A 3.8877 7.8935 123.3930 54.3168 19.5354 176.8629 17 F 4.0080 9.2828 122.7426 58.0378 38.1219 175.9034 18 S 4.6570 8.2912 119.1563 60.3190 63.8282 176.8040 19 V 3.2902 7.8666 120.2900 64.8955 30.4495 178.2715 20 W 4.8658 8.5798 118.2628 59.6736 29.0124 177.0290 21 N 4.7219 9.1760 114.9360 54.0010 38.1313 175.0232 22 Y 4.5785 8.1228 117.8759 57.6826 39.2777 176.8378 23 I 3.9523 8.0533 122.4185 63.7662 38.3322 175.8788 24 S 5.0124 7.7772 119.1225 57.4841 63.1883 171.1130 25 Y 5.0315 7.5084 130.6046 57.3798 41.6528 173.7923 26 G 4.1072 7.0004 102.6396 43.5181 0.0000 175.6051 27 C 4.4271 8.9642 117.0711 57.6682 40.6668 174.5104 28 Y 4.4011 9.0296 115.5492 58.8915 40.9063 175.6741 29 C 4.6150 8.8965 116.8128 58.0603 41.7403 174.2302 30 G 4.5447 8.7264 110.9597 45.2053 0.0000 173.6497 31 W 4.2276 9.4188 123.2083 56.4068 30.2837 176.2819 32 G 3.9980 8.7591 111.7445 48.0091 0.0000 174.2637 33 G 4.3629 8.8053 107.2653 45.0143 0.0000 171.1553 34 Q 4.4789 6.8827 115.9416 56.0541 31.9181 174.7647 35 G 4.4996 8.9703 105.9827 45.5231 0.0000 172.8074 36 T 4.6407 8.1891 111.7517 58.7018 70.4080 171.8167 37 P 5.3236 0.0000 0.0000 62.0979 30.8222 176.7230 38 K 4.2070 8.8588 125.3786 58.7266 32.4877 177.0214 39 D 5.0245 7.9185 116.0620 51.2058 45.6997 175.5912 40 A 4.0620 8.7850 127.1175 55.6605 18.4065 180.1690 41 T 3.9099 8.1187 107.4822 65.2909 68.7212 175.9424 42 D 4.6484 8.3168 120.8284 56.1189 41.3299 177.7508 43 R 4.1290 8.8639 119.9632 59.1687 30.0190 177.2286 44 C 4.2438 8.8130 117.0993 61.0314 40.5976 174.8456 45 C 4.3084 8.7044 117.1574 60.6944 39.5451 176.5372 46 F 3.5718 8.4351 121.7788 61.3840 39.8477 178.0789 47 V 2.8876 8.7441 113.4533 66.4156 31.3834 177.9317 48 H 3.6400 7.8948 117.0002 59.2886 30.4450 176.8143 49 D 4.1072 8.2014 120.9891 57.5906 40.6556 177.7184 50 C 4.2491 8.3723 117.6461 60.0191 39.9466 175.3199 51 C 3.8040 7.7220 118.8614 60.0958 44.6105 175.4388 52 Y 4.1672 8.3894 118.2218 61.2119 37.3404 178.5256 53 G 3.9039 8.6467 106.7518 47.8224 0.0000 175.0922 54 R 4.2582 8.3319 117.4500 57.4126 30.0985 177.1418 55 V 3.2291 7.2571 118.3557 62.1000 31.4645 175.4213 56 R 3.8908 8.4717 124.8572 56.1581 29.7793 176.1908 *59 G 3.8313 8.7854 112.1783 45.0914 0.0000 171.1354 *61 C 4.4960 7.5919 113.3953 54.6755 42.7388 172.1224 *67 N 4.7410 8.3512 118.0193 53.2549 39.4709 172.4168 68 P 4.2154 0.0000 0.0000 65.4975 31.7613 178.4515 69 K 3.8329 8.1498 117.3523 58.8114 31.8899 176.6823 70 L 4.5762 9.6061 115.1967 53.9097 43.1897 176.4035 71 A 4.0396 8.1375 124.2934 51.9152 18.6724 176.4125 72 I 4.2626 8.2891 124.3718 59.5063 38.8014 174.4531 73 Y 4.9375 7.6119 122.5718 55.1791 41.2297 174.0751 74 S 5.1153 8.7458 115.3695 57.2650 64.6700 173.3239 75 Y 5.4099 8.6400 122.2623 55.7010 41.1672 173.9153 76 S 4.6557 9.7345 116.5886 55.9817 67.3196 173.0584 77 F 5.1874 8.0402 118.4489 55.6278 39.3735 175.0347 78 K 3.6648 8.3655 119.2242 58.3214 32.8934 176.7515 79 K 3.7024 9.4559 123.8477 59.0731 29.9035 173.4756 80 G 4.2245 8.0007 102.1131 45.7546 0.0000 170.1818 81 N 5.1835 8.2266 117.0522 50.9076 41.5342 173.7311 82 I 3.4982 7.7707 124.8743 61.5565 38.0147 176.1826 83 V 4.2937 8.2040 119.1768 60.6027 36.2979 172.5396 84 C 4.7438 8.7963 123.8379 55.8586 40.9860 176.3019 85 G 3.9081 8.7912 111.2735 47.0794 0.0000 172.6440 86 K 4.3150 8.2189 119.5861 55.4097 32.8039 176.3234 *88 N 4.9014 8.3561 120.3682 53.2123 39.9500 173.9476 89 N 4.7993 8.1418 115.0351 52.9109 42.3058 174.1295 90 G 4.0438 8.8433 110.6965 45.0151 0.0000 172.9993 91 C 5.1835 8.6162 115.3361 57.9204 40.7447 176.0516 92 L 3.9562 7.9436 120.9921 57.5184 40.9013 178.9983 93 R 3.7688 8.0938 118.2564 59.9410 30.2986 177.6720 94 D 4.3137 8.0003 117.7108 57.7337 40.7911 178.3910 95 I 3.2380 8.1976 119.6659 65.0946 37.4018 177.3954 96 C 3.1842 7.9278 118.8515 59.2393 43.7464 176.0782 97 E 3.7528 8.2861 120.4508 60.2448 28.3763 177.6020 98 C 3.8390 7.8799 114.9613 60.4876 38.4619 175.9460 99 D 3.7314 7.6673 118.8979 58.3612 40.7320 178.7596 100 R 3.5742 8.0933 115.5323 60.2214 29.5563 178.3296 101 V 3.3066 8.1298 115.4361 66.8144 32.1031 177.9187 102 A 3.3949 10.1549 116.2230 55.3242 18.4179 179.5603 103 A 3.2837 9.1483 118.1322 54.2614 19.0942 179.8698 104 N 4.3665 8.7070 115.3193 56.6896 38.5811 176.7069 105 C 4.8343 9.6252 119.4691 60.2197 42.0587 174.9113 106 F 4.4774 8.5805 119.0370 60.7315 38.1391 176.4919 107 H 3.7300 8.3920 119.7129 60.1323 30.1402 177.3841 108 Q 4.3607 8.6245 119.4903 58.1896 28.3929 177.5256 109 N 5.2493 9.2634 117.8830 52.8126 40.5871 176.5515 110 K 4.1883 8.4114 120.0055 59.7291 32.7525 177.8313 111 N 4.5417 8.2469 116.5567 55.4955 38.9141 175.3400 112 T 4.5228 7.6247 108.9643 61.1739 69.1479 174.0901 113 Y 4.2903 7.9077 122.3902 57.2883 40.1790 174.1163 114 N 4.7308 8.2080 125.4305 51.0539 38.8235 175.0466 115 K 4.0756 9.0137 125.9672 59.5606 32.2049 178.2468 116 N 4.2681 8.2681 113.1915 54.9934 37.0224 174.4659 117 Y 4.3696 8.4321 116.7377 57.6104 38.3333 175.5761 118 K 3.9442 8.7373 122.0259 57.0047 33.1908 177.1769 119 F 4.1644 8.2283 122.0251 57.5642 36.7784 174.5314 120 L 4.2814 7.4417 119.1327 54.3700 42.9870 176.5863 121 S 4.7376 7.8822 112.5637 56.6460 64.5106 174.5989 122 S 3.7353 8.0831 119.7395 61.8747 63.1590 176.2410 *124 S 4.4312 7.7014 115.7591 56.8146 64.7575 174.8096 125 R 4.0738 9.0132 121.0271 58.4582 30.3739 176.6587 126 C 5.5484 9.8304 112.4695 55.5774 40.6823 175.5565 127 R 3.8214 7.9507 117.2015 58.0336 29.0324 176.5869 128 Q 4.1746 7.8925 117.3623 55.6447 29.3288 175.7041 129 T 4.1047 8.2599 115.3908 64.0145 68.8097 174.7952 130 S 4.5504 8.3664 120.4071 58.7550 63.5706 173.3220 131 E 4.4274 8.4274 121.3260 54.7489 31.1827 174.6272 132 Q 4.2711 8.6994 127.5197 56.5872 29.8766 176.7477 133 C 4.7113 8.7351 118.8122 57.3255 41.4212 173.7637 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 1 N 8.37 5.05 0.00 2.99 2.88 0.00 0.00 5.75 6.90 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 2 L 8.64 4.76 0.00 1.87 1.68 1.20 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 F 10.35 4.69 0.00 3.18 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 4 Q 8.53 4.01 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.50 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 5 F 8.49 4.40 0.00 3.47 3.40 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 6 A 8.19 3.87 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 0.00 0.00 7 K 7.96 4.02 0.00 2.07 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 8 M 10.24 4.47 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 9 I 8.27 3.88 1.88 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.70 0.00 0.00 10 N 9.11 4.14 0.00 2.71 2.72 0.00 0.00 7.02 7.82 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 11 G 8.15 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 12 K 8.03 4.65 0.00 1.97 1.96 0.00 1.94 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.66 7.81 13 L 8.20 4.69 0.00 1.79 1.60 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 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 *16 A 7.89 3.89 1.08 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 0.00 0.00 17 F 9.28 4.01 0.00 2.97 3.30 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 18 S 8.29 4.66 0.00 3.87 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 19 V 7.87 3.29 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 0.85 0.00 0.00 1.26 0.00 0.00 20 W 8.58 4.87 0.00 3.56 3.26 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 21 N 9.18 4.72 0.00 2.46 2.38 0.00 0.00 6.80 5.12 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 22 Y 8.12 4.58 0.00 3.00 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 23 I 8.05 3.95 2.05 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 1.09 0.00 0.00 24 S 7.78 5.01 0.00 4.20 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 25 Y 7.51 5.03 0.00 2.76 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 26 G 7.00 4.11 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 0.00 27 C 8.96 4.43 0.00 2.81 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 28 Y 9.03 4.40 0.00 3.42 3.17 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 29 C 8.90 4.62 0.00 3.15 3.21 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 30 G 8.73 4.54 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 0.00 0.00 0.00 31 W 9.42 4.23 0.00 3.31 3.27 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 32 G 8.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 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 0.00 0.00 0.00 0.00 34 Q 6.88 4.48 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 35 G 8.97 4.50 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 0.00 36 T 8.19 4.64 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 1.17 0.00 0.00 37 P 0.00 5.32 0.00 2.16 2.15 0.00 3.73 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 38 K 8.86 4.21 0.00 1.56 1.77 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.68 1.32 7.81 39 D 7.92 5.02 0.00 3.26 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 40 A 8.78 4.06 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 41 T 8.12 3.91 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 1.23 0.00 0.00 42 D 8.32 4.65 0.00 3.44 3.30 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 43 R 8.86 4.13 0.00 2.09 2.12 0.00 3.18 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 44 C 8.81 4.24 0.00 3.55 3.33 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 45 C 8.70 4.31 0.00 3.46 3.33 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 46 F 8.44 3.57 0.00 2.59 3.07 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 47 V 8.74 2.89 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 0.90 0.00 0.00 0.99 0.00 0.00 48 H 7.89 3.64 0.00 3.08 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.20 4.11 0.00 2.81 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 50 C 8.37 4.25 0.00 2.82 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 51 C 7.72 3.80 0.00 2.89 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 52 Y 8.39 4.17 0.00 3.08 2.90 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 0.00 0.00 0.00 53 G 8.65 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.33 4.26 0.00 1.90 2.02 0.00 3.07 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 55 V 7.26 3.23 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 0.70 0.00 0.00 0.79 0.00 0.00 56 R 8.47 3.89 0.00 1.93 1.92 0.00 3.08 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *59 G 8.79 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 *61 C 7.59 4.50 0.00 3.11 3.23 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 0.00 *67 N 8.35 4.74 0.00 2.71 2.80 0.00 0.00 7.39 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 68 P 0.00 4.22 0.00 2.10 1.21 0.00 3.64 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 1.81 1.73 0.00 69 K 8.15 3.83 0.00 1.73 1.89 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.54 7.81 70 L 9.61 4.58 0.00 1.73 1.63 0.91 0.75 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 71 A 8.14 4.04 1.27 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 72 I 8.29 4.26 1.85 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 1.48 0.73 0.86 0.00 0.00 73 Y 7.61 4.94 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 74 S 8.75 5.12 0.00 3.87 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 75 Y 8.64 5.41 0.00 2.91 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 76 S 9.73 4.66 0.00 3.75 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 77 F 8.04 5.19 0.00 2.97 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 78 K 8.37 3.66 0.00 1.83 1.79 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.41 7.81 79 K 9.46 3.70 0.00 1.84 1.80 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.44 7.81 80 G 8.00 4.22 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 0.00 81 N 8.23 5.18 0.00 2.89 2.80 0.00 0.00 7.23 8.70 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 82 I 7.77 3.50 1.66 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.30 0.72 0.00 0.00 83 V 8.20 4.29 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 0.68 0.00 0.00 0.92 0.00 0.00 84 C 8.80 4.74 0.00 2.76 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 85 G 8.79 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 86 K 8.22 4.31 0.00 1.85 1.71 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.53 7.81 *88 N 8.36 4.90 0.00 2.71 2.85 0.00 0.00 6.96 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.14 4.80 0.00 2.60 2.62 0.00 0.00 7.53 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 90 G 8.84 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 91 C 8.62 5.18 0.00 3.08 3.33 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 92 L 7.94 3.96 0.00 1.76 1.82 0.93 0.96 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 93 R 8.09 3.77 0.00 1.67 2.10 0.00 3.23 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 94 D 8.00 4.31 0.00 2.77 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 95 I 8.20 3.24 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.73 0.00 0.00 96 C 7.93 3.18 0.00 2.09 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 97 E 8.29 3.75 0.00 2.05 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 2.38 2.40 0.00 98 C 7.88 3.84 0.00 2.96 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 99 D 7.67 3.73 0.00 2.54 2.93 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 0.00 100 R 8.09 3.57 0.00 1.88 1.88 0.00 3.03 0.00 0.00 2.98 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 101 V 8.13 3.31 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 0.90 0.00 0.00 0.87 0.00 0.00 102 A 10.15 3.39 1.30 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 0.00 0.00 103 A 9.15 3.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.37 0.00 2.89 2.85 0.00 0.00 6.63 8.17 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 0.00 105 C 9.63 4.83 0.00 2.94 3.25 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 0.00 106 F 8.58 4.48 0.00 3.33 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 0.00 107 H 8.39 3.73 0.00 3.32 3.56 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.62 4.36 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 109 N 9.26 5.25 0.00 2.74 2.79 0.00 0.00 6.57 7.33 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 0.00 110 K 8.41 4.19 0.00 1.90 2.03 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.48 7.81 111 N 8.25 4.54 0.00 2.77 2.95 0.00 0.00 6.84 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 0.00 112 T 7.62 4.52 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 1.24 0.00 0.00 113 Y 7.91 4.29 0.00 3.05 2.82 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 0.00 0.00 0.00 114 N 8.21 4.73 0.00 1.61 2.54 0.00 0.00 6.20 7.03 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 0.00 115 K 9.01 4.08 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 116 N 8.27 4.27 0.00 2.95 2.99 0.00 0.00 5.91 7.55 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 0.00 117 Y 8.43 4.37 0.00 2.25 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 0.00 0.00 0.00 118 K 8.74 3.94 0.00 1.65 1.15 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.47 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.47 1.56 7.81 119 F 8.23 4.16 0.00 3.13 2.93 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 0.00 120 L 7.44 4.28 0.00 1.51 1.49 0.48 0.81 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 0.00 121 S 7.88 4.74 0.00 3.77 3.61 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 0.00 122 S 8.08 3.74 0.00 4.02 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 *124 S 7.70 4.43 0.00 3.99 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 0.00 125 R 9.01 4.07 0.00 1.90 1.87 0.00 3.18 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 126 C 9.83 5.55 0.00 3.01 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 0.00 127 R 7.95 3.82 0.00 1.89 2.08 0.00 2.63 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 128 Q 7.89 4.17 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 129 T 8.26 4.10 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 1.23 0.00 0.00 130 S 8.37 4.55 0.00 3.93 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 0.00 131 E 8.43 4.43 0.00 1.79 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 2.07 2.07 0.00 132 Q 8.70 4.27 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 133 C 8.74 4.71 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.