NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2946 8.3449 119.6853 55.7463 30.1716 174.6212 3 R 4.2225 8.2197 119.7713 54.9933 31.3695 170.9735 4 V 4.3225 8.5940 118.7567 62.2854 35.2904 172.5868 5 T 4.5314 8.5463 123.6003 61.7110 70.3021 173.5600 6 I 4.5222 8.2024 119.3203 59.1690 40.2780 174.7537 7 T 4.5863 8.2802 117.4679 61.7639 70.4534 173.9137 8 L 4.8546 8.1427 125.2769 52.0746 45.4243 176.5116 9 D 4.5215 8.3503 119.8038 53.9904 43.2185 176.8545 10 D 4.3719 8.6684 125.0626 57.7921 40.8580 178.7773 11 D 4.3599 8.2827 118.4736 57.4444 40.7956 178.3109 12 L 3.9097 8.0019 120.0144 58.2951 41.9539 178.3875 13 L 3.9313 8.0706 119.9771 58.5378 41.9771 178.4933 14 E 3.9130 8.3848 118.1390 59.8078 29.3196 179.3537 15 T 3.8768 8.1818 115.6336 66.8182 68.3977 176.1204 16 L 3.9494 7.8895 120.6717 58.4309 42.4725 178.2388 17 D 4.5047 8.6203 119.3782 57.3188 40.7545 178.5906 18 S 4.1103 8.0989 114.4449 62.0152 61.2359 176.5069 19 L 4.0325 7.7684 124.2872 57.4910 41.6860 179.0125 20 S 4.6902 8.5061 115.4451 61.0484 62.8287 176.2552 21 Q 4.0471 7.8853 122.1594 58.9615 28.8268 177.5497 22 R 4.1227 8.3115 117.0848 57.8310 30.1575 177.1974 23 R 4.1512 7.2770 115.0676 55.7739 30.6981 177.0657 24 G 3.8532 8.0186 106.5984 45.4138 0.0000 172.7818 25 Y 4.7617 7.6250 117.8776 57.0249 38.4856 175.3647 26 N 4.7765 8.9059 121.7991 53.1979 38.9924 175.2539 27 N 4.9609 7.7775 117.2530 50.1077 40.6269 174.1281 28 R 3.7801 8.7653 125.1326 59.9623 30.1397 178.3073 29 S 4.0224 8.1013 113.9823 61.9365 62.7137 176.4604 30 E 3.6990 8.2373 121.1154 59.4621 29.3259 178.3581 31 A 2.5800 7.2256 119.6123 55.3769 18.3606 179.5611 32 I 3.6031 8.1855 117.4716 64.2452 37.2525 178.7697 33 R 3.8241 7.7573 119.5482 59.6317 29.9291 178.3678 34 D 4.3766 8.2765 118.9093 57.2335 40.8637 178.9828 35 I 3.7693 7.4515 120.4864 64.2508 37.1829 178.0242 36 L 3.9389 8.0109 120.0101 57.9856 41.5061 179.3667 37 R 3.8803 8.0324 118.1868 59.9126 30.0938 177.6811 38 S 4.1726 8.5592 112.2972 59.8349 61.7766 175.2512 39 A 3.9890 6.9027 126.0507 55.4394 18.8320 179.4785 40 L 4.0101 8.1462 118.0489 58.2079 42.3068 178.6891 41 A 4.3020 7.9639 121.6757 55.3212 19.6558 179.9915 42 Q 4.2749 7.5264 116.8516 54.4757 25.7449 176.1906 43 E 4.7628 8.0606 123.5762 53.3562 33.5982 174.4143 44 A 4.5790 7.4001 124.7911 52.4394 20.7674 175.4845 45 T 4.7291 8.0414 116.5344 61.4650 72.6635 173.4140 46 Q 4.1998 8.5396 123.9170 55.9421 29.3313 177.1055 47 Q 4.0800 8.4967 121.9175 54.9754 28.7999 172.1767 48 H 4.4333 8.8862 123.2601 54.3233 30.3433 174.8177 49 G 4.6760 8.6265 124.7760 47.1547 0.0000 172.9106 50 T 3.9361 7.4731 119.8043 63.6508 69.2221 174.1726 51 Q 5.1916 9.1148 121.0046 52.0034 32.4887 175.2589 52 G 3.8535 6.9169 102.6722 46.7621 0.0000 172.1389 53 F 5.5594 8.5826 122.1071 55.7405 43.3458 174.1295 54 A 5.0799 9.2429 121.9945 50.5343 23.1446 175.5087 55 V 4.4902 9.2105 120.7436 60.8883 33.2384 173.3643 56 L 4.9596 9.0493 129.6959 54.2041 42.7853 175.1810 57 S 5.3855 8.6764 121.9426 56.8199 66.2838 172.6729 58 Y 4.7607 7.8245 117.7249 56.9064 41.2961 172.6904 59 V 5.5533 7.9743 120.2771 61.2223 34.7932 173.8911 60 Y 4.7857 7.7052 119.2643 56.5341 40.3342 172.3718 61 E 4.9249 8.5121 120.5361 55.1079 30.1836 177.5700 62 H 4.4313 8.9034 120.7995 58.0062 29.3070 177.5813 63 E 4.0195 7.9861 119.4748 58.8963 29.9250 177.6069 64 K 3.7642 7.7245 118.9427 58.4691 32.8436 177.1978 65 R 3.4788 9.4768 118.3132 61.4380 28.5949 177.2867 66 D 4.2789 7.2116 124.9077 56.1513 38.3737 176.0308 67 L 3.9184 8.1913 128.4462 58.3167 42.5536 177.3081 68 A 4.5317 7.8422 119.3278 55.5818 18.5063 179.2899 69 S 4.0600 8.1650 110.1433 61.4720 62.3120 176.6900 70 R 3.9250 7.9880 121.1392 59.5860 29.9598 178.1761 71 I 3.4981 8.5607 120.7220 64.6040 36.9464 178.3432 72 V 3.6117 7.5767 118.6941 66.1250 31.4079 177.9063 73 S 4.2767 7.6634 113.6728 62.2939 62.5771 176.7856 74 T 3.8668 7.8716 116.8727 67.0932 68.5051 176.1293 75 Q 4.6360 8.0790 119.3672 59.4470 28.8103 178.1927 76 H 4.2820 8.9007 116.2066 58.5104 28.7030 176.9559 77 H 4.3368 8.4790 120.1820 58.4257 30.4855 176.2041 78 H 5.0521 8.4463 118.4456 55.2147 29.1513 175.6079 79 H 4.4151 8.3374 115.1901 57.4878 28.6522 175.2090 80 D 4.8078 7.7037 119.3202 54.2023 41.1791 176.4553 81 L 4.6815 8.0742 118.6129 54.0658 43.9273 175.2280 82 S 4.8408 7.7782 112.3597 57.1208 64.0621 173.3845 83 V 3.8623 8.7098 128.4793 64.7943 31.6595 175.5511 84 A 4.5748 7.4954 119.4947 51.8808 22.2423 174.5503 85 T 5.0353 8.5038 108.3962 60.1429 72.0697 172.9115 86 L 4.6908 9.4056 127.1652 53.6834 44.1521 174.5568 87 H 5.2412 8.7888 125.4754 54.7271 33.0372 174.2437 88 V 4.1235 8.0924 123.2082 61.8757 34.1761 173.8319 89 H 4.4829 8.5693 126.6600 55.8703 27.9955 175.5796 90 I 4.0859 7.8843 117.8973 60.0578 36.4590 175.3358 91 N 4.2099 7.6045 119.0945 53.0475 38.3042 174.7210 92 H 4.3073 8.7855 115.1404 58.8431 28.8696 176.1521 93 D 4.7450 8.0616 116.9658 55.7274 42.8163 177.1185 94 D 4.8476 9.8323 118.2986 53.8223 42.9880 175.7091 95 C 4.7919 8.4829 117.3518 57.9716 33.0550 173.1988 96 L 4.9063 8.3797 123.9586 53.5893 43.5310 174.8559 97 E 4.7634 8.4459 126.0794 54.7717 32.4090 175.6176 98 I 4.8065 8.5836 122.2718 59.6937 41.2602 174.0232 99 A 5.1112 9.5084 129.9679 50.0819 21.7415 174.9960 100 V 4.6103 8.8144 123.4972 61.6998 33.2225 174.8631 101 L 5.2862 9.1233 127.5359 53.0126 45.5566 175.5513 102 K 5.0441 8.0807 121.8943 53.8363 35.1632 176.4340 103 G 3.7168 8.2808 114.9450 45.4998 0.0000 170.6139 104 D 4.5778 7.9438 121.5988 53.9254 41.8062 176.7063 *106 G 3.4414 8.3914 102.7614 45.5594 0.0000 174.2465 107 D 4.4866 8.0389 119.7969 57.3381 40.8513 178.8514 108 V 3.4533 7.8964 117.7360 66.2133 31.3277 177.7816 109 Q 3.9569 7.9158 116.5400 60.3732 28.7377 178.6829 110 H 4.0772 8.4371 115.8169 58.4690 27.5907 177.2698 111 F 3.9393 8.6718 122.4564 61.6252 39.7146 177.9418 112 A 3.9693 8.7214 120.7499 55.5810 18.4353 179.5177 113 D 4.2690 8.1527 117.0689 57.2143 40.6693 178.1876 114 D 4.5157 8.0010 117.7286 56.3759 40.9404 176.5779 115 V 3.8753 6.7851 117.0111 62.4916 33.5595 177.2514 116 I 3.4544 7.7032 121.9004 64.3966 37.5377 176.9112 117 A 4.0694 7.6029 120.8770 55.3934 18.3744 177.9503 118 Q 3.6751 7.6618 112.4582 55.5888 29.2327 177.4905 119 R 3.9650 8.3917 122.7811 58.3257 29.9039 176.3629 120 G 4.2101 9.9499 115.8804 45.5963 0.0000 173.0761 121 V 4.9841 7.2083 117.9423 61.0140 32.1599 174.0284 122 R 4.2658 8.0943 123.4524 55.9535 31.4405 176.0569 123 H 4.3508 8.6962 113.6011 56.6745 26.1050 175.6611 124 G 4.0566 8.1652 105.4092 47.5049 0.0000 173.1589 125 H 4.5885 8.2524 114.1391 55.2348 34.3060 172.3828 126 L 5.0693 8.9832 128.0663 53.3373 44.0328 174.8330 127 Q 4.8208 8.7060 127.3781 54.5785 31.6097 173.9967 128 C 5.1628 8.6907 122.6064 58.4748 31.7576 174.4610 129 L 4.8242 8.7929 120.8195 53.2660 43.6260 172.8561 130 P 4.9094 0.0000 0.0000 62.2305 32.8986 177.7881 131 K 4.1468 8.3237 122.6944 55.1205 31.5309 176.1806 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 2 Q 8.34 4.29 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 3 R 8.22 4.22 0.00 1.85 1.84 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 4 V 8.59 4.32 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 0.70 0.00 0.00 0.92 0.00 0.00 5 T 8.55 4.53 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 1.21 0.00 0.00 6 I 8.20 4.52 1.86 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 0.64 0.90 0.00 0.00 7 T 8.28 4.59 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 8 L 8.14 4.85 0.00 1.58 1.53 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.35 4.52 0.00 2.75 2.54 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 10 D 8.67 4.37 0.00 2.80 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 11 D 8.28 4.36 0.00 2.89 2.74 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 12 L 8.00 3.91 0.00 1.71 1.79 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.07 3.93 0.00 1.87 1.85 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.38 3.91 0.00 2.18 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 2.34 2.58 0.00 15 T 8.18 3.88 4.41 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 1.23 0.00 0.00 16 L 7.89 3.95 0.00 1.62 1.88 0.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.62 4.50 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.11 0.00 4.07 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 19 L 7.77 4.03 0.00 1.77 1.98 0.94 1.31 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 20 S 8.51 4.69 0.00 4.16 4.14 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 21 Q 7.89 4.05 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 22 R 8.31 4.12 0.00 1.79 1.95 0.00 3.19 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 23 R 7.28 4.15 0.00 1.59 1.41 0.00 3.10 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 24 G 8.02 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.62 4.76 0.00 3.17 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 N 8.91 4.78 0.00 2.85 2.97 0.00 0.00 6.00 8.04 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 27 N 7.78 4.96 0.00 2.88 2.91 0.00 0.00 5.88 7.66 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 28 R 8.77 3.78 0.00 1.88 1.95 0.00 3.21 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 29 S 8.10 4.02 0.00 3.85 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 30 E 8.24 3.70 0.00 2.06 1.83 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 1.99 2.22 0.00 31 A 7.23 2.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.19 3.60 1.81 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 1.38 0.57 0.88 0.00 0.00 33 R 7.76 3.82 0.00 2.20 1.86 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 34 D 8.28 4.38 0.00 2.91 2.78 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 0.00 0.00 0.00 35 I 7.45 3.77 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.26 0.93 0.00 0.00 36 L 8.01 3.94 0.00 1.81 1.72 0.93 1.04 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 37 R 8.03 3.88 0.00 1.98 2.11 0.00 3.10 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 1.64 1.66 0.00 38 S 8.56 4.17 0.00 4.03 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 39 A 6.90 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 40 L 8.15 4.01 0.00 1.99 1.70 0.92 0.93 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 41 A 7.96 4.30 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 42 Q 7.53 4.27 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 43 E 8.06 4.76 0.00 2.04 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 2.17 2.26 0.00 44 A 7.40 4.58 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 45 T 8.04 4.73 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 1.23 0.00 0.00 46 Q 8.54 4.20 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 47 Q 8.50 4.08 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 48 H 8.89 4.43 0.00 3.10 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.63 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.47 3.94 4.21 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 1.18 0.00 0.00 51 Q 9.11 5.19 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.26 1.84 0.00 52 G 6.92 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.58 5.56 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 9.24 5.08 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 55 V 9.21 4.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 56 L 9.05 4.96 0.00 2.01 1.79 1.07 0.84 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 57 S 8.68 5.39 0.00 3.87 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 58 Y 7.82 4.76 0.00 3.18 3.13 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 59 V 7.97 5.55 2.24 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 1.08 0.00 0.00 0.95 0.00 0.00 60 Y 7.71 4.79 0.00 3.31 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 E 8.51 4.92 0.00 2.05 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 2.46 2.13 0.00 62 H 8.90 4.43 0.00 3.50 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.99 4.02 0.00 1.91 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 0.00 1.93 2.16 0.00 64 K 7.72 3.76 0.00 1.69 1.79 0.00 2.12 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.54 7.81 65 R 9.48 3.48 0.00 1.99 2.10 0.00 3.03 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 66 D 7.21 4.28 0.00 2.82 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 67 L 8.19 3.92 0.00 2.22 1.93 0.80 1.31 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 68 A 7.84 4.53 1.60 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 0.00 0.00 69 S 8.16 4.06 0.00 3.93 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 70 R 7.99 3.92 0.00 1.99 2.07 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 71 I 8.56 3.50 1.73 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.26 0.85 0.00 0.00 72 V 7.58 3.61 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 1.17 0.00 0.00 1.11 0.00 0.00 73 S 7.66 4.28 0.00 4.16 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 74 T 7.87 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 75 Q 8.08 4.64 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.90 2.56 0.00 76 H 8.90 4.28 0.00 3.25 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.48 4.34 0.00 3.35 3.29 0.00 5.71 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 78 H 8.45 5.05 0.00 3.35 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.34 4.42 0.00 3.23 3.55 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.70 4.81 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.68 0.00 1.58 1.30 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.78 4.84 0.00 3.76 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 83 V 8.71 3.86 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 0.78 0.00 0.00 1.05 0.00 0.00 84 A 7.50 4.57 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 85 T 8.50 5.04 4.41 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 1.38 0.00 0.00 86 L 9.41 4.69 0.00 1.72 1.53 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.79 5.24 0.00 3.20 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.09 4.12 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 0.83 0.00 0.00 0.89 0.00 0.00 89 H 8.57 4.48 0.00 3.16 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.88 4.09 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.56 0.93 0.00 0.00 91 N 7.60 4.21 0.00 3.08 3.06 0.00 0.00 6.19 7.90 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 92 H 8.79 4.31 0.00 3.13 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.06 4.75 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 94 D 9.83 4.85 0.00 2.66 2.53 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 95 C 8.48 4.79 0.00 1.93 2.27 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 96 L 8.38 4.91 0.00 1.69 1.57 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.45 4.76 0.00 1.16 1.56 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 2.18 2.30 0.00 98 I 8.58 4.81 1.82 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 1.09 0.85 0.89 0.00 0.00 99 A 9.51 5.11 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 0.00 100 V 8.81 4.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 101 L 9.12 5.29 0.00 1.54 1.42 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.08 5.04 0.00 2.04 1.70 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 0.79 7.81 103 G 8.28 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 0.00 104 D 7.94 4.58 0.00 2.69 2.78 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 0.00 0.00 0.00 *106 G 8.39 3.44 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 0.00 107 D 8.04 4.49 0.00 2.76 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 0.00 108 V 7.90 3.45 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 1.07 0.00 0.00 0.88 0.00 0.00 109 Q 7.92 3.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 110 H 8.44 4.08 0.00 3.51 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.67 3.94 0.00 2.90 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 0.00 112 A 8.72 3.97 1.47 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 0.00 0.00 113 D 8.15 4.27 0.00 2.81 2.70 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 0.00 114 D 8.00 4.52 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 6.79 3.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.34 0.00 0.00 116 I 7.70 3.45 1.80 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 0.74 0.89 0.00 0.00 117 A 7.60 4.07 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 0.00 118 Q 7.66 3.68 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 119 R 8.39 3.97 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 120 G 9.95 4.21 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 0.00 121 V 7.21 4.98 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 1.07 0.00 0.00 0.86 0.00 0.00 122 R 8.09 4.27 0.00 1.91 1.63 0.00 3.40 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 123 H 8.70 4.35 0.00 3.40 3.46 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.17 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 0.00 0.00 0.00 125 H 8.25 4.59 0.00 3.29 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.98 5.07 0.00 1.72 1.58 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.71 4.82 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 128 C 8.69 5.16 0.00 2.89 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 0.00 129 L 8.79 4.82 0.00 1.78 1.62 0.96 1.28 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 0.00 130 P 0.00 4.91 0.00 2.06 2.03 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 1.99 1.97 0.00 131 K 8.32 4.15 0.00 1.82 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.