NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7680 8.2785 117.7875 51.7970 40.2413 175.0431 0 A 4.6741 8.1690 125.1383 50.5221 17.8030 178.4327 2 K 4.6640 8.9598 117.8207 55.8237 35.6131 172.4459 3 A 5.0616 8.4566 126.5905 49.9109 22.1625 174.3046 4 D 5.2133 8.8902 123.1729 53.3495 42.9525 175.7533 5 I 4.8367 9.2187 125.7258 60.1999 38.7929 174.6942 6 L 5.1426 9.0075 128.4405 53.1018 43.8155 175.6284 7 L 5.1124 8.9876 124.7702 53.0685 44.0944 175.6205 8 V 4.7551 8.7689 124.6613 61.2940 34.6043 174.2660 9 S 5.2238 8.2179 119.4612 58.4909 65.5152 174.8456 10 H 4.5461 9.0158 120.1801 57.5795 29.8391 175.3695 11 S 4.8213 7.9409 113.5288 56.2111 63.3893 175.2533 12 K 4.4104 8.3550 132.3104 56.5176 31.7098 178.7690 *14 I 4.1129 7.9935 119.4034 61.3612 39.3435 178.6230 15 T 3.9100 7.6174 110.7232 64.7766 68.4866 176.3964 16 D 4.4762 8.9650 122.4467 56.9660 40.6303 178.8632 17 G 3.5903 7.9698 104.8254 47.8638 0.0000 175.2294 18 I 3.8783 7.7616 121.6128 63.8380 37.3451 177.8632 19 K 4.0390 7.8457 119.9227 59.5822 31.3994 179.3869 20 E 4.1434 7.9039 116.5053 56.9748 29.2779 178.3108 *22 I 3.9242 7.6731 119.2833 60.9191 38.9416 177.1492 23 E 4.0729 8.3060 118.1070 58.8021 29.3325 178.1153 24 Q 4.0193 7.5296 114.2825 57.0421 28.3864 175.3630 *26 N 4.2693 7.9308 116.3107 53.5544 39.5062 173.6060 27 A 4.5226 8.5872 126.4892 51.7252 20.3935 175.3440 28 S 4.6268 7.9094 112.2212 56.1258 63.4022 174.6002 29 E 4.0752 8.7486 128.9652 58.6220 29.6777 177.3205 30 E 4.1450 7.9662 117.7881 58.1097 29.9346 175.9037 31 I 4.6666 7.3025 119.6442 60.0780 38.7388 175.4679 32 T 4.6680 8.7970 122.7776 61.7176 72.0849 172.8424 33 I 4.8615 8.3129 125.7286 59.7918 39.8511 174.5618 34 H 4.7806 9.4203 123.9596 54.0069 31.6396 173.2671 35 S 4.5831 8.9398 119.2893 57.4036 61.7557 172.9501 36 L 4.7727 8.8166 127.6205 54.1620 42.3347 177.2371 37 G 4.0488 8.0181 107.9612 46.0542 0.0000 175.1828 38 G 3.9529 8.7921 106.4786 45.1693 0.0000 173.1975 39 T 4.4364 8.3561 109.8119 59.8642 70.9508 175.3403 40 S 4.0625 8.8074 115.5554 61.7871 62.3965 175.0158 41 D 4.6314 8.1335 117.3015 52.5101 39.2386 177.2623 42 G 3.9202 8.5948 108.1153 45.7440 0.0000 174.3274 43 S 4.2405 7.6694 116.3692 58.0554 63.4269 173.6085 44 L 4.4474 8.3113 121.9249 55.0099 41.4667 178.0383 45 G 3.8221 6.8627 111.8566 44.8057 0.0000 171.0224 46 S 4.8445 7.7288 113.6728 56.3264 67.2722 173.3217 47 D 4.7466 8.4330 121.9174 51.6835 43.4956 175.4009 48 P 4.7354 0.0000 0.0000 62.6735 29.9813 177.4692 *50 K 4.2575 7.8508 119.6592 57.4448 34.7952 179.1859 51 I 3.7032 7.3138 117.3839 64.3464 36.9301 178.3164 52 I 3.5952 7.7493 120.5528 64.6203 37.0126 177.9485 53 D 4.3559 8.0980 118.8686 57.8196 40.4444 178.9477 54 T 3.7974 7.5328 114.5390 66.7728 68.9252 176.1143 55 I 3.3063 7.8366 121.8021 64.6144 36.9142 178.3637 56 N 4.3890 8.1934 115.8238 56.1391 38.3605 177.0026 57 E 4.1175 8.1402 119.0535 57.6886 30.0453 177.3969 58 A 4.2986 7.1717 121.2751 51.5196 19.0086 177.1034 59 D 4.5597 8.5798 121.1257 54.9633 41.4863 177.0370 60 S 4.7588 8.6111 117.5464 58.8940 62.7482 174.4417 61 D 4.7848 7.6357 116.9965 52.9459 39.4296 175.7743 62 R 4.6142 7.2734 118.1443 54.6997 32.2425 175.7506 63 E 4.1089 8.7760 122.9377 56.0061 31.4199 175.7533 64 F 5.1839 9.3610 122.8684 56.0268 41.3939 174.9429 65 L 4.8150 8.8884 125.8039 53.4026 43.0232 175.7891 66 I 4.6357 8.3137 126.7194 59.7580 38.8512 175.1615 67 F 5.1887 9.3097 125.8094 55.6347 42.1699 174.3858 68 A 5.6123 8.8385 122.6250 49.9887 22.1396 174.8164 69 D 4.7932 8.9183 117.9663 54.2696 41.0182 176.7705 70 L 4.6565 7.7085 117.4606 53.8566 44.6619 178.6570 71 G 3.7807 8.3814 109.7987 46.9893 0.0000 177.3999 72 S 4.2232 8.9937 122.1743 59.9122 63.0074 175.2200 73 A 4.1079 8.1873 122.7023 55.0845 18.0526 179.7816 74 V 3.5486 7.7056 116.3706 66.1567 31.7590 178.0285 75 L 4.0107 7.6212 118.4607 58.0207 41.4769 179.7935 76 S 4.1754 8.2135 114.9368 61.8296 62.5729 177.0043 77 S 4.3240 7.8153 116.1979 61.4931 62.3198 176.3777 78 E 4.2057 8.2716 121.3049 59.3854 29.1387 179.2004 79 L 3.9587 8.4679 119.2223 57.5788 41.3766 179.2952 80 A 3.9512 7.9325 120.1536 55.1493 18.3781 178.8431 81 F 3.4765 7.1782 117.4309 61.1831 39.3776 177.8274 82 D 4.3039 7.4191 115.9206 54.3710 40.2039 176.3672 *84 L 3.9483 7.7051 117.3171 54.3327 42.8587 177.2554 85 E 4.1697 8.6433 120.1717 55.5513 30.9401 177.7894 86 E 3.8043 8.6615 121.2089 59.9922 29.2975 178.8859 87 D 4.3814 7.9648 115.7774 57.2835 41.6664 177.7276 88 Q 4.3479 8.0141 118.2218 59.2107 28.3419 178.4989 89 Q 3.9639 8.2363 119.0228 58.3035 28.4308 177.9853 90 K 4.4039 7.6129 117.2500 57.3321 32.7204 176.9573 91 H 4.9410 8.2772 115.1677 55.5246 28.9058 172.9226 92 Y 4.9144 7.3047 122.6886 56.5240 39.8861 174.6571 93 H 4.8631 9.0481 124.7214 53.6990 32.0548 173.1118 94 L 4.1890 8.5531 124.5313 54.5231 42.1521 176.7878 95 V 3.8837 7.8436 125.0718 61.2345 32.5496 175.6937 96 D 4.5218 8.6677 128.0319 53.3411 39.8651 174.2035 97 A 4.5898 7.8933 125.6577 49.6151 22.3386 174.4157 98 P 4.3251 0.0000 0.0000 62.8919 31.9002 176.7432 99 L 3.9762 8.8649 123.9760 58.7515 42.3871 179.3205 100 V 3.5866 7.7809 116.9006 66.1840 31.6746 177.7933 101 E 4.0495 8.0830 117.9787 59.0628 29.2723 179.5864 102 G 3.5952 8.2686 105.6422 47.7189 0.0000 175.5530 103 A 2.5800 7.0086 123.9483 54.1099 18.3322 179.4201 104 F 3.8059 7.9953 118.7371 61.5125 39.5027 177.2220 105 A 4.1234 8.2608 120.3170 55.3110 18.1010 179.8370 106 S 4.1396 8.4197 113.8625 61.4885 62.6903 176.5999 107 A 3.9097 7.8819 122.9595 55.1679 18.2267 179.3420 108 I 3.6271 7.3227 117.6328 64.9785 37.2252 178.7990 109 T 3.8434 7.7569 115.5199 66.6728 68.2505 176.6912 110 A 4.5083 7.6921 123.9692 54.3051 18.0827 179.5719 111 G 3.6463 7.7029 103.0948 46.5147 0.0000 174.4029 112 V 4.3400 7.5829 118.0601 62.5949 33.5311 175.2166 113 S 4.6356 7.6552 112.9859 57.5706 65.0753 173.3264 114 D 4.8616 8.0616 124.8210 53.4500 39.5071 177.5493 115 D 4.5340 7.8753 121.5760 53.2283 39.9058 175.8092 116 L 3.8650 8.2523 127.0909 58.4285 42.2133 178.2268 117 T 3.8850 8.0054 114.7276 66.8353 68.2515 176.1496 118 Q 3.9413 8.3107 121.1217 59.0914 29.2152 177.9679 119 I 3.7024 7.7187 120.8402 64.5416 36.9249 178.3940 120 L 3.9639 8.4261 119.6860 57.8391 41.1083 179.5636 121 A 4.0213 8.1038 120.6924 54.9613 18.1516 178.9696 122 E 3.9688 8.4062 114.9611 57.7621 30.1444 178.6743 123 A 4.2356 7.8589 121.8514 55.2408 18.3847 179.5989 124 Q 4.1885 7.5869 114.5122 58.2403 28.8922 177.2613 125 N 4.8085 7.5534 112.9186 52.9517 38.6324 174.9025 126 A 4.2835 7.8080 121.2471 52.4592 19.7469 179.1348 127 G 4.1413 8.6118 107.0801 45.9646 0.0000 173.8822 128 K 4.0422 7.3772 119.4390 55.9376 32.1983 177.2570 129 K 3.8128 8.3332 122.8765 55.5903 32.8624 177.0509 130 G 3.7486 7.8922 105.9586 46.2587 0.0000 174.1612 131 W 4.7678 8.1758 123.4192 55.9905 28.1907 177.0772 132 N 4.6610 8.6234 119.3766 52.1392 37.4706 173.0187 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 8.28 4.77 0.00 2.67 2.77 0.00 0.00 6.65 6.76 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 A 8.17 4.67 1.23 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 0.00 0.00 2 K 8.96 4.66 0.00 1.60 1.65 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.37 7.81 3 A 8.46 5.06 1.18 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 4 D 8.89 5.21 0.00 2.94 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 5 I 9.22 4.84 1.92 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 0.71 0.97 0.00 0.00 6 L 9.01 5.14 0.00 1.68 1.64 1.05 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.99 5.11 0.00 1.62 1.62 0.93 0.81 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 8 V 8.77 4.76 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 1.03 0.00 0.00 0.99 0.00 0.00 9 S 8.22 5.22 0.00 3.94 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 10 H 9.02 4.55 0.00 3.14 3.34 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.94 4.82 0.00 3.87 3.75 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 12 K 8.35 4.41 0.00 1.93 1.76 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.48 7.81 *14 I 7.99 4.11 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.92 0.00 0.00 15 T 7.62 3.91 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 1.25 0.00 0.00 16 D 8.97 4.48 0.00 2.77 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 17 G 7.97 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.88 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 1.40 0.81 0.90 0.00 0.00 19 K 7.85 4.04 0.00 1.95 2.03 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 20 E 7.90 4.14 0.00 2.24 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 2.32 2.37 0.00 *22 I 7.67 3.92 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.76 0.00 0.00 23 E 8.31 4.07 0.00 1.94 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 2.31 2.48 0.00 24 Q 7.53 4.02 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.41 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 *26 N 7.93 4.27 0.00 2.67 2.71 0.00 0.00 6.89 7.96 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 27 A 8.59 4.52 1.23 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 0.00 0.00 28 S 7.91 4.63 0.00 3.85 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 29 E 8.75 4.08 0.00 1.95 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 2.28 2.32 0.00 30 E 7.97 4.15 0.00 2.07 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 2.30 2.30 0.00 31 I 7.30 4.67 1.97 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 1.19 0.76 0.88 0.00 0.00 32 T 8.80 4.67 4.44 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 1.10 0.00 0.00 33 I 8.31 4.86 1.83 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 1.29 0.43 0.90 0.00 0.00 34 H 9.42 4.78 0.00 3.03 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.94 4.58 0.00 3.90 3.84 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 36 L 8.82 4.77 0.00 1.67 1.66 0.95 0.82 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 37 G 8.02 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.79 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 39 T 8.36 4.44 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 1.25 0.00 0.00 40 S 8.81 4.06 0.00 3.99 4.08 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 41 D 8.13 4.63 0.00 2.80 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 42 G 8.59 3.92 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 0.00 0.00 0.00 43 S 7.67 4.24 0.00 3.91 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 44 L 8.31 4.45 0.00 1.63 1.62 0.94 0.91 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 45 G 6.86 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 46 S 7.73 4.84 0.00 3.85 3.75 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 47 D 8.43 4.75 0.00 2.70 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 48 P 0.00 4.74 0.00 2.26 2.46 0.00 3.79 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 2.07 2.00 0.00 *50 K 7.85 4.26 0.00 2.04 1.95 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 I 7.31 3.70 2.08 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 1.58 0.68 1.08 0.00 0.00 52 I 7.75 3.60 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.92 0.85 0.00 0.00 53 D 8.10 4.36 0.00 2.82 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 54 T 7.53 3.80 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 0.96 0.00 0.00 55 I 7.84 3.31 1.76 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.13 0.50 0.00 0.00 56 N 8.19 4.39 0.00 2.69 2.86 0.00 0.00 7.16 7.23 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 57 E 8.14 4.12 0.00 1.97 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 0.00 2.35 2.41 0.00 58 A 7.17 4.30 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 59 D 8.58 4.56 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.76 0.00 3.89 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 61 D 7.64 4.78 0.00 2.76 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 62 R 7.27 4.61 0.00 1.38 1.64 0.00 3.20 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 63 E 8.78 4.11 0.00 1.76 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 2.40 0.00 64 F 9.36 5.18 0.00 2.86 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 65 L 8.89 4.82 0.00 1.76 1.62 0.99 0.45 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 66 I 8.31 4.64 1.58 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.18 0.86 0.00 0.00 67 F 9.31 5.19 0.00 2.91 2.94 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 68 A 8.84 5.61 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 69 D 8.92 4.79 0.00 2.81 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 70 L 7.71 4.66 0.00 1.81 1.77 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.38 3.78 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 0.00 0.00 0.00 72 S 8.99 4.22 0.00 3.95 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 73 A 8.19 4.11 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 74 V 7.71 3.55 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 1.10 0.00 0.00 0.94 0.00 0.00 75 L 7.62 4.01 0.00 1.90 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.21 4.18 0.00 3.95 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 77 S 7.82 4.32 0.00 4.08 4.01 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 78 E 8.27 4.21 0.00 2.18 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 2.33 2.65 0.00 79 L 8.47 3.96 0.00 1.66 1.73 0.93 0.79 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 80 A 7.93 3.95 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 81 F 7.18 3.48 0.00 2.38 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 82 D 7.42 4.30 0.00 2.87 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 *84 L 7.71 3.95 0.00 1.31 1.43 0.47 0.87 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 85 E 8.64 4.17 0.00 1.93 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 2.26 2.41 0.00 86 E 8.66 3.80 0.00 1.98 1.94 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 2.37 2.37 0.00 87 D 7.96 4.38 0.00 2.71 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 88 Q 8.01 4.35 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 89 Q 8.24 3.96 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 90 K 7.61 4.40 0.00 1.78 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 91 H 8.28 4.94 0.00 3.67 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.30 4.91 0.00 3.30 3.24 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 93 H 9.05 4.86 0.00 3.03 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.55 4.19 0.00 1.46 1.55 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.84 3.88 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 0.62 0.00 0.00 0.34 0.00 0.00 96 D 8.67 4.52 0.00 2.68 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 97 A 7.89 4.59 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 98 P 0.00 4.33 0.00 2.39 2.21 0.00 3.91 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 2.09 2.08 0.00 99 L 8.86 3.98 0.00 1.95 1.75 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.78 3.59 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 0.95 0.00 0.00 0.91 0.00 0.00 101 E 8.08 4.05 0.00 2.05 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 2.29 2.32 0.00 102 G 8.27 3.60 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 0.00 103 A 7.01 2.58 0.73 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 0.00 0.00 104 F 8.00 3.81 0.00 3.19 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 0.00 105 A 8.26 4.12 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 0.00 106 S 8.42 4.14 0.00 4.12 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 0.00 107 A 7.88 3.91 1.15 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 0.00 108 I 7.32 3.63 1.97 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 1.35 0.83 0.88 0.00 0.00 109 T 7.76 3.84 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 0.00 110 A 7.69 4.51 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 0.00 111 G 7.70 3.65 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 0.00 0.00 0.00 112 V 7.58 4.34 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 0.79 0.00 0.00 0.91 0.00 0.00 113 S 7.66 4.64 0.00 3.83 3.76 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 0.00 114 D 8.06 4.86 0.00 2.87 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 0.00 115 D 7.88 4.53 0.00 2.75 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 0.00 116 L 8.25 3.87 0.00 1.72 1.62 0.74 0.60 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 0.00 117 T 8.01 3.88 4.38 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 1.20 0.00 0.00 118 Q 8.31 3.94 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 119 I 7.72 3.70 2.02 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 1.53 1.00 0.95 0.00 0.00 120 L 8.43 3.96 0.00 1.91 1.69 0.84 0.82 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 0.00 121 A 8.10 4.02 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 0.00 122 E 8.41 3.97 0.00 2.05 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 0.00 2.34 2.38 0.00 123 A 7.86 4.24 1.55 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 0.00 124 Q 7.59 4.19 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.35 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 125 N 7.55 4.81 0.00 2.55 2.80 0.00 0.00 6.98 7.23 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 0.00 126 A 7.81 4.28 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 G 8.61 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 0.00 0.00 0.00 128 K 7.38 4.04 0.00 1.62 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 129 K 8.33 3.81 0.00 0.79 0.74 0.00 1.37 0.00 0.00 0.87 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.90 7.81 130 G 7.89 3.75 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 0.00 0.00 0.00 131 W 8.18 4.77 0.00 3.35 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 0.00 132 N 8.62 4.66 0.00 2.72 2.56 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.