NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6081 8.3649 120.5301 54.8385 41.6305 175.9797 5 R 4.5114 8.4605 125.5818 56.8785 31.2057 174.5012 6 L 4.8393 7.6154 120.0598 54.3125 43.1700 176.6785 7 T 3.9646 8.7369 113.0134 61.6164 69.8732 175.2661 8 N 4.5948 8.6240 120.8532 55.9130 38.5619 177.7959 9 K 3.9571 8.0159 119.4435 59.4481 32.2143 179.0049 10 F 4.2863 8.3163 120.9335 61.4065 38.7927 177.2430 11 Q 3.9915 8.3404 117.7512 59.0266 28.5410 178.7849 12 L 4.0308 8.3590 120.1001 57.7050 41.5545 179.4798 13 A 4.0446 8.2264 120.8481 54.9445 18.2837 179.6724 14 L 3.9298 8.1812 117.4164 57.9126 41.8006 179.5404 15 A 3.9920 8.0334 120.7153 55.2753 18.2347 179.2222 16 D 4.2752 8.2110 116.3183 57.2807 41.1912 178.2627 17 A 3.9994 8.3353 121.9300 55.1249 18.3758 179.3741 18 Q 3.8570 8.1357 118.0617 59.4952 29.1455 178.7170 19 S 4.1501 7.9435 115.9800 61.4077 62.8116 176.7011 20 L 3.9767 8.3308 121.8781 57.7119 41.3304 179.2614 21 A 3.8314 8.0501 120.8161 54.9990 18.2717 179.3909 22 L 3.9408 8.0240 118.7859 58.4203 42.0386 179.5437 23 G 3.6978 8.4007 104.3354 47.2454 0.0000 173.9604 24 H 4.6640 7.8799 117.8320 55.0453 30.3640 174.0815 25 D 4.4598 8.0624 118.1842 56.0068 38.7214 172.8784 26 N 5.0527 8.1697 115.9341 52.0185 39.9406 175.7698 27 Q 3.8927 8.5965 122.9047 57.9289 29.5462 175.9142 28 F 5.3041 7.7687 114.4626 55.4355 42.5620 175.0427 29 I 4.1179 8.8288 123.6915 61.0705 38.2431 175.2333 30 E 5.0248 9.1314 125.8435 53.7245 32.6616 175.2186 31 P 4.5522 0.0000 0.0000 66.0172 31.7359 179.0047 32 L 4.1688 8.1633 116.9417 58.2535 41.9976 178.1707 33 H 4.3305 8.3634 115.7021 58.9662 28.8030 178.5790 34 L 4.2026 7.5416 118.6374 55.2729 41.4355 178.6362 *36 S 4.3067 8.3304 112.4744 57.8070 64.0553 175.3166 37 A 4.0931 8.1464 120.5033 55.3860 18.2232 179.2721 38 L 4.0192 8.1887 117.7308 57.9834 41.4226 179.8627 39 L 4.0745 7.8746 117.5504 57.1660 41.7183 178.0285 40 N 4.9405 7.7711 113.8569 52.1402 39.0578 174.8666 41 Q 4.1477 7.5046 123.9188 54.6143 28.6915 174.7001 42 E 4.0770 8.6318 127.2007 57.6353 29.9833 177.1110 43 G 3.9023 9.0020 113.4063 45.6193 0.0000 173.7639 44 G 3.8130 8.0753 108.7554 45.2990 0.0000 174.9547 45 S 4.3333 8.4168 115.8060 60.4970 63.0254 177.1381 46 V 3.5616 7.6873 120.8143 66.1034 31.2963 177.9037 47 S 4.1262 8.0345 114.3886 61.2472 62.7187 174.9458 48 P 4.2695 0.0000 0.0000 65.5540 31.0081 178.0631 49 L 3.9086 7.9751 120.1977 58.0110 42.0076 178.9702 50 L 3.9788 8.0107 118.7920 58.2347 41.6668 179.5928 51 T 4.0230 7.9945 115.6163 66.8497 68.1438 176.6340 52 S 4.1444 8.2247 114.0211 60.8402 62.5174 175.1786 53 A 4.3434 7.8168 121.1777 52.0623 18.4675 177.7202 54 G 3.8121 7.8537 105.2462 45.8049 0.0000 173.3021 55 I 4.3040 7.8009 120.1082 58.8968 39.2819 176.1352 56 N 4.4835 8.5796 122.7334 53.1033 38.9466 175.2042 57 A 4.1347 8.5794 131.3230 54.8077 18.5632 179.1136 58 G 3.5304 7.9939 103.8512 48.2364 0.0000 175.6903 59 Q 4.1290 8.0252 122.0058 58.0492 28.9989 177.8127 60 L 3.9563 7.7566 121.8895 58.1082 42.1493 179.1170 61 R 3.9573 7.9495 115.6983 59.3351 29.2107 179.1152 62 T 3.8686 7.4577 115.3434 66.7797 68.5447 176.5462 63 D 4.3824 8.1487 120.7908 57.3247 40.6929 178.9751 64 I 3.7903 8.1685 120.8990 64.3909 37.0910 178.2220 65 N 4.3648 8.4547 117.5518 56.2576 38.0869 177.5144 66 Q 3.9916 8.0919 118.6794 58.9411 29.1096 178.3801 67 A 4.1383 8.1044 121.7822 55.0909 18.5226 179.6757 68 L 3.8881 8.2190 117.8130 57.9598 41.4879 179.3251 69 N 4.5663 8.2283 114.9510 55.3547 38.5348 176.5929 70 R 4.3382 7.5708 117.9598 55.8079 31.0257 176.8151 71 L 4.2307 6.8735 118.5889 53.6062 42.2896 175.3212 72 P 4.4641 0.0000 0.0000 62.9623 31.9367 175.8024 73 Q 4.6118 8.3791 119.0036 55.5891 31.8354 174.3131 74 V 4.0771 9.1601 111.3384 62.0789 33.7105 176.0975 *82 Q 4.4177 8.3898 119.0089 55.2603 31.8909 173.6730 83 P 4.7820 0.0000 0.0000 62.8630 32.0791 176.2930 84 S 4.3659 9.1513 118.2931 57.9376 64.2756 175.1071 85 Q 3.9903 8.5024 120.8383 59.0143 28.7117 177.8068 86 D 4.3420 8.0257 119.8538 57.3753 40.8330 178.4147 87 L 4.0556 7.9056 120.5596 58.1750 42.1418 179.0379 88 V 3.5839 7.8099 118.2462 65.9110 31.4518 177.8816 89 R 3.8706 8.4035 118.7688 59.5977 29.9846 178.6590 90 V 3.6431 7.9749 117.9553 66.1009 31.5943 177.9890 91 L 4.1773 8.4505 119.0012 57.7937 41.3938 179.2600 92 N 4.3967 8.2704 116.7469 56.1369 38.4351 177.2146 93 L 4.0420 7.9487 121.8077 58.0508 42.0551 178.7022 94 C 4.2091 8.2562 117.0149 62.7768 28.1279 175.4378 95 D 4.3277 8.0501 119.3642 57.4024 40.7647 178.3087 96 K 3.9737 8.0222 119.9787 59.5041 32.1284 178.7586 97 L 3.9790 8.5090 119.5671 57.6601 41.4435 179.3144 98 A 4.0116 8.3460 121.0513 55.0978 18.2988 179.4700 99 Q 3.8779 8.1797 118.0483 59.3621 28.9485 178.6852 100 K 4.0168 8.0751 118.4785 59.4383 32.2083 179.0747 101 R 4.2184 8.1409 116.3449 56.4101 30.2075 176.9832 102 G 3.8234 7.6630 106.2902 46.4605 0.0000 173.4071 103 D 4.6753 8.1127 119.1997 53.0146 41.8885 176.7681 104 N 4.1692 8.7377 121.5414 55.8521 39.2008 174.5819 105 F 5.1020 7.6625 113.4832 55.4829 43.6258 174.8729 106 I 4.4463 9.3516 122.4921 60.6953 37.9750 176.0231 107 S 5.0250 8.6864 122.1082 56.7112 65.6807 175.4116 108 S 3.2737 8.6473 116.0958 61.5803 62.7006 176.9934 109 E 4.0159 8.2168 119.2145 59.3960 29.6249 179.1998 110 L 4.0459 7.9336 118.6285 57.5722 41.4779 179.1377 111 F 4.2745 8.0469 120.4616 61.2494 39.2206 177.3082 112 V 3.3701 7.5434 117.6206 65.8059 31.1175 177.7805 113 L 3.8431 7.7543 117.8642 58.1625 42.2258 178.2601 114 A 4.0697 8.3440 120.9153 55.0648 18.2866 179.4577 115 A 3.6931 7.9451 119.7160 55.0904 18.1311 179.5819 116 L 3.8964 7.6078 117.8797 57.6351 42.1348 178.0687 117 E 4.5359 7.4536 115.8589 56.0601 29.6696 176.3616 118 S 4.5218 7.5163 113.9564 57.3817 63.2414 175.6050 119 R 3.4953 8.9596 120.9381 56.3582 29.1617 175.4747 120 G 3.8951 8.3123 104.2555 45.6570 0.0000 174.2747 121 T 3.8011 8.4713 113.9600 66.6916 68.1896 176.4347 122 L 3.9049 7.9171 121.2905 58.1294 42.0974 178.6143 123 A 3.9330 7.9260 120.1681 55.2076 18.2675 179.1648 124 D 4.2664 8.0404 117.2843 57.5426 40.8732 179.0446 125 I 3.6791 7.8959 120.2953 64.4286 37.0820 178.4622 126 L 3.9638 8.1636 120.0160 57.6863 41.4050 179.7852 127 K 4.0810 8.2742 118.2417 59.5749 31.8313 179.2831 128 A 3.9850 8.0001 119.4677 54.9885 18.3777 178.9482 129 A 4.1699 7.9112 117.3780 52.9720 18.6447 178.2663 130 G 3.9498 7.9701 104.8765 44.7727 0.0000 174.1691 131 A 4.2155 7.9044 123.5251 52.0923 19.2365 177.7332 132 T 4.7364 7.9913 110.9760 59.2901 73.4701 175.1091 133 T 3.8422 8.5967 118.4827 66.9332 68.3971 176.5862 134 A 3.9651 7.8744 122.1352 55.2927 18.6816 179.3237 135 N 4.4173 8.5433 115.5269 55.6401 37.3854 177.5103 136 I 3.7930 7.8352 122.6473 64.4976 37.2526 178.2879 137 T 3.8580 7.9944 116.6423 66.5162 68.1682 176.5575 138 Q 4.5198 8.3785 122.6834 58.7069 28.8988 178.1016 139 A 3.9853 7.7229 120.5852 55.1061 18.4592 179.3990 140 I 3.8232 7.8356 117.8772 64.5488 37.4220 178.1715 141 E 4.0981 8.3462 118.5661 59.3684 29.1086 176.7271 142 Q 4.2340 8.1363 124.0274 56.1707 29.2971 175.3107 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 D 8.36 4.61 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.51 0.00 1.89 1.96 0.00 3.15 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 6 L 7.62 4.84 0.00 1.43 1.40 0.52 0.42 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 7 T 8.74 3.96 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 1.37 0.00 0.00 8 N 8.62 4.59 0.00 2.71 2.88 0.00 0.00 7.62 7.68 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 9 K 8.02 3.96 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 10 F 8.32 4.29 0.00 3.10 3.02 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 11 Q 8.34 3.99 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 12 L 8.36 4.03 0.00 1.85 1.72 0.92 0.94 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 13 A 8.23 4.04 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 14 L 8.18 3.93 0.00 1.94 1.71 0.70 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.03 3.99 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 16 D 8.21 4.28 0.00 2.74 2.84 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 0.00 0.00 0.00 17 A 8.34 4.00 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 18 Q 8.14 3.86 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 19 S 7.94 4.15 0.00 4.10 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 20 L 8.33 3.98 0.00 1.89 1.80 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.05 3.83 1.13 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 22 L 8.02 3.94 0.00 1.83 1.85 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.40 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.88 4.66 0.00 3.34 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.06 4.46 0.00 2.96 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 26 N 8.17 5.05 0.00 2.72 2.81 0.00 0.00 6.79 8.18 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 27 Q 8.60 3.89 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 1.21 1.99 0.00 28 F 7.77 5.30 0.00 2.95 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 29 I 8.83 4.12 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 1.19 0.87 0.94 0.00 0.00 30 E 9.13 5.02 0.00 1.93 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 2.45 2.32 0.00 31 P 0.00 4.55 0.00 2.27 2.33 0.00 3.67 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 2.19 2.27 0.00 32 L 8.16 4.17 0.00 1.57 1.70 0.90 1.07 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 33 H 8.36 4.33 0.00 3.39 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.54 4.20 0.00 1.66 1.55 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *36 S 8.33 4.31 0.00 3.94 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 37 A 8.15 4.09 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 38 L 8.19 4.02 0.00 1.65 1.67 0.54 0.31 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 39 L 7.87 4.07 0.00 1.79 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 4.94 0.00 2.83 2.84 0.00 0.00 6.96 7.08 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 41 Q 7.50 4.15 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 42 E 8.63 4.08 0.00 1.96 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 2.29 2.26 0.00 43 G 9.00 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 44 G 8.08 3.81 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 0.00 0.00 0.00 45 S 8.42 4.33 0.00 3.87 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 46 V 7.69 3.56 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 1.09 0.00 0.00 0.88 0.00 0.00 47 S 8.03 4.13 0.00 3.90 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 48 P 0.00 4.27 0.00 2.25 2.30 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 49 L 7.98 3.91 0.00 1.93 1.91 0.93 0.43 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 50 L 8.01 3.98 0.00 1.90 1.70 0.93 0.61 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 51 T 7.99 4.02 4.37 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 1.21 0.00 0.00 52 S 8.22 4.14 0.00 3.88 4.10 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 0.00 0.00 0.00 53 A 7.82 4.34 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 54 G 7.85 3.81 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 0.00 0.00 0.00 55 I 7.80 4.30 1.98 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 0.68 0.91 0.00 0.00 56 N 8.58 4.48 0.00 2.83 2.74 0.00 0.00 7.10 8.74 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 57 A 8.58 4.13 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 58 G 7.99 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 0.00 0.00 0.00 59 Q 8.03 4.13 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 60 L 7.76 3.96 0.00 2.03 1.79 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.95 3.96 0.00 2.13 2.19 0.00 2.83 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 62 T 7.46 3.87 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 1.22 0.00 0.00 63 D 8.15 4.38 0.00 2.83 2.72 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 64 I 8.17 3.79 1.93 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 1.54 0.84 0.93 0.00 0.00 65 N 8.45 4.36 0.00 2.98 2.89 0.00 0.00 7.02 7.60 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 66 Q 8.09 3.99 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 67 A 8.10 4.14 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 68 L 8.22 3.89 0.00 1.86 1.63 0.93 0.74 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 69 N 8.23 4.57 0.00 2.92 2.92 0.00 0.00 7.02 7.26 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 70 R 7.57 4.34 0.00 1.94 1.97 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 71 L 6.87 4.23 0.00 1.86 1.63 0.90 0.85 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 72 P 0.00 4.46 0.00 2.10 2.02 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 73 Q 8.38 4.61 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 74 V 9.16 4.08 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 0.65 0.00 0.00 0.94 0.00 0.00 *82 Q 8.39 4.42 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 83 P 0.00 4.78 0.00 2.12 2.09 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 84 S 9.15 4.37 0.00 3.72 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 85 Q 8.50 3.99 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 86 D 8.03 4.34 0.00 2.80 2.73 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 87 L 7.91 4.06 0.00 1.86 1.91 1.04 1.02 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 88 V 7.81 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 0.95 0.00 0.00 0.95 0.00 0.00 89 R 8.40 3.87 0.00 1.94 2.19 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 90 V 7.97 3.64 2.28 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 1.00 0.00 0.00 1.01 0.00 0.00 91 L 8.45 4.18 0.00 1.90 1.70 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.27 4.40 0.00 2.96 2.88 0.00 0.00 6.56 6.09 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 93 L 7.95 4.04 0.00 1.80 1.86 0.93 0.97 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 94 C 8.26 4.21 0.00 3.36 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 95 D 8.05 4.33 0.00 2.83 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 96 K 8.02 3.97 0.00 1.94 1.92 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 97 L 8.51 3.98 0.00 1.96 1.73 0.93 0.64 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 98 A 8.35 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 99 Q 8.18 3.88 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 100 K 8.08 4.02 0.00 1.89 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.71 7.81 101 R 8.14 4.22 0.00 1.92 1.99 0.00 3.24 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 102 G 7.66 3.82 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 0.00 0.00 0.00 103 D 8.11 4.68 0.00 2.69 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 0.00 104 N 8.74 4.17 0.00 2.54 2.50 0.00 0.00 6.83 7.02 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 0.00 105 F 7.66 5.10 0.00 2.98 3.10 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 0.00 0.00 0.00 106 I 9.35 4.45 1.95 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 1.36 1.10 1.12 0.00 0.00 107 S 8.69 5.02 0.00 4.09 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 0.00 108 S 8.65 3.27 0.00 3.76 3.70 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 0.00 0.00 0.00 0.00 109 E 8.22 4.02 0.00 2.08 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 2.40 2.39 0.00 110 L 7.93 4.05 0.00 1.95 1.82 1.08 1.43 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 0.00 111 F 8.05 4.27 0.00 3.04 3.11 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 0.00 112 V 7.54 3.37 2.18 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 0.90 0.00 0.00 0.95 0.00 0.00 113 L 7.75 3.84 0.00 1.64 1.84 0.94 1.00 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 0.00 114 A 8.34 4.07 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 0.00 115 A 7.95 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.61 3.90 0.00 1.81 1.75 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.45 4.54 0.00 1.89 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 2.25 2.59 0.00 118 S 7.52 4.52 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 0.00 119 R 8.96 3.50 0.00 1.92 1.93 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 120 G 8.31 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 0.00 121 T 8.47 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 0.00 122 L 7.92 3.90 0.00 1.77 1.64 0.93 1.17 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 0.00 123 A 7.93 3.93 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 0.00 124 D 8.04 4.27 0.00 2.89 2.72 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 0.00 125 I 7.90 3.68 2.01 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 1.52 0.73 0.91 0.00 0.00 126 L 8.16 3.96 0.00 1.77 1.68 0.82 1.12 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 0.00 127 K 8.27 4.08 0.00 1.92 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 128 A 8.00 3.99 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 0.00 129 A 7.91 4.17 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 0.00 130 G 7.97 3.95 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 0.00 0.00 0.00 131 A 7.90 4.22 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 0.00 132 T 7.99 4.74 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 0.00 133 T 8.60 3.84 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 0.00 134 A 7.87 3.97 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 0.00 135 N 8.54 4.42 0.00 2.93 3.08 0.00 0.00 7.13 7.31 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 0.00 136 I 7.84 3.79 1.93 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 1.65 0.92 0.89 0.00 0.00 137 T 7.99 3.86 4.27 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 1.27 0.00 0.00 138 Q 8.38 4.52 0.00 2.25 2.24 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 2.35 2.39 0.00 139 A 7.72 3.99 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 0.00 140 I 7.84 3.82 2.04 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 1.59 0.76 0.93 0.00 0.00 141 E 8.35 4.10 0.00 2.19 2.22 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 2.53 2.29 0.00 142 Q 8.14 4.23 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.