NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2882 8.2601 123.5900 51.8540 18.7355 176.3888 41 A 4.2095 8.2496 123.8582 51.2494 19.2810 174.9609 42 P 4.4878 0.0000 0.0000 62.2630 32.9233 174.9602 43 E 4.2924 8.4422 119.5231 56.1736 30.0020 177.1485 44 S 4.8105 8.3821 115.8650 58.8396 64.1931 172.8819 45 F 5.0801 8.4682 114.5048 56.1243 41.7184 173.1158 46 D 5.0677 8.7065 119.0976 53.6483 43.6101 173.8518 47 E 4.7995 9.3908 123.2619 55.4422 33.9140 173.9377 48 V 4.6815 8.3528 120.3040 61.6299 32.7746 174.2375 49 Y 4.6039 9.1545 129.8698 56.7387 40.7226 175.6286 50 K 3.5704 9.2593 128.2186 57.4630 29.7073 175.8543 51 G 3.9818 8.3076 104.2813 45.4461 0.0000 173.6010 52 R 4.6702 7.9658 118.9265 53.9219 33.4349 174.5389 53 R 4.8267 8.9635 122.7576 56.0127 31.4482 175.0062 54 I 5.1921 9.0807 120.3964 59.3500 40.4406 174.5791 55 Q 4.7456 9.2217 123.7952 54.0526 33.2907 174.4277 56 G 4.0646 7.5674 108.0925 44.6260 0.0000 171.5974 57 R 4.8185 7.6223 117.4416 53.6097 33.0164 172.7122 58 P 4.8157 0.0000 0.0000 61.9433 32.2115 176.0665 59 A 4.6280 8.6917 122.9746 52.8097 21.1118 177.9988 *66 H 4.7320 9.1040 116.4407 57.5120 30.2424 171.7979 67 E 4.7002 7.6717 116.2972 54.4862 32.6872 174.1973 68 H 4.6998 9.0492 114.8306 54.8417 31.0728 177.0659 69 G 3.1539 8.5199 102.4950 46.6485 0.0000 174.2818 70 G 3.3930 8.9571 113.6054 44.5880 0.0000 173.9960 71 G 4.1478 8.7998 113.8381 46.3232 0.0000 171.4190 72 Y 5.2596 7.9049 120.3278 56.2363 42.1403 173.5645 73 E 4.6725 8.6400 125.2616 54.4162 33.1664 175.0961 74 V 4.8284 7.9894 122.2945 61.0959 35.3529 174.0166 75 F 5.2524 9.2961 124.4277 55.6362 43.3756 174.0293 76 V 4.6739 9.0499 122.8053 61.3448 33.6956 175.3203 77 D 4.4578 10.2485 130.2645 55.5236 38.9311 175.0514 78 G 3.8609 8.4669 103.5533 45.7482 0.0000 173.7270 79 V 4.3553 7.6954 120.3576 60.5062 32.8673 174.9881 80 Q 3.8967 8.7692 128.6689 55.9403 29.4306 174.5659 81 L 4.5605 8.2745 128.1537 53.3471 43.4311 175.4387 82 H 4.3331 8.8331 127.3939 56.5909 30.7732 174.3676 83 V 5.0984 8.1768 117.6004 60.0689 35.9177 174.4281 84 M 4.8409 9.1796 121.2471 54.1660 36.0084 173.4600 85 R 3.6860 8.0416 124.9314 54.6706 31.6252 175.3530 86 N 4.6729 8.6042 123.1657 51.6372 40.3481 175.9658 87 A 3.8719 8.6521 123.7480 55.4852 18.3828 178.4323 88 D 4.5092 7.9225 112.2033 53.5334 39.6890 177.3346 89 G 3.8287 8.2528 109.6546 45.2149 0.0000 173.9615 90 S 4.6931 8.1826 115.0732 57.8657 64.9510 173.0319 91 W 5.2968 9.4491 119.6770 54.8481 32.9637 174.7724 92 I 5.1935 8.7457 115.6284 59.2615 41.4393 173.5104 93 S 5.4283 8.3352 114.9341 56.3856 66.4800 175.4261 94 V 3.8048 8.6441 118.9180 63.6306 31.2256 177.2980 95 V 4.2446 7.6537 112.9828 61.4857 31.9147 176.7782 96 S 4.7125 7.8800 114.9093 57.6683 62.9241 173.7155 97 H 4.3739 8.1219 121.5528 57.5708 30.4918 175.1285 98 Y 4.6920 7.9125 115.0148 57.6746 38.1954 175.7373 99 D 4.7809 7.6083 119.6360 51.3165 41.1965 172.5594 100 P 4.6158 0.0000 0.0000 62.1884 32.5922 176.3178 101 V 4.6261 8.5677 114.8910 58.6243 35.1868 175.2629 102 P 4.6188 0.0000 0.0000 65.3543 31.7784 177.0025 103 T 4.5628 7.3783 107.8639 58.3609 73.0735 172.7999 104 P 3.6657 0.0000 0.0000 65.3106 31.0954 179.0308 105 R 2.8685 7.2653 116.9799 58.8863 29.8078 178.2159 106 A 3.7715 7.9326 120.6198 55.0315 18.2759 179.5168 107 A 3.8968 7.9252 119.1059 54.9825 18.4281 179.7483 108 A 3.9493 8.2071 119.7159 55.4495 18.4314 180.0766 109 R 3.2555 8.0308 116.7334 59.0898 29.9222 179.1571 110 A 3.9871 8.1502 120.4968 55.0550 18.2803 179.5846 111 A 3.9517 8.1387 119.4151 55.2512 17.9532 180.0147 112 V 3.6124 8.0209 116.7926 66.2378 31.4206 177.8016 113 D 4.4798 8.3723 117.8743 57.6709 40.8138 178.3355 114 E 4.1191 8.1555 118.3767 59.2045 29.8605 178.5141 115 L 4.1213 8.4212 119.0353 55.2667 41.8068 177.0599 116 Q 3.4522 8.9304 115.9394 56.8043 26.7430 174.8290 117 G 3.9423 8.4737 105.3614 45.0811 0.0000 174.2972 118 A 4.1628 7.6840 123.2747 51.0017 18.9481 175.7865 119 P 4.3417 0.0000 0.0000 62.5270 32.0263 176.3165 120 L 4.2075 8.3405 123.7506 54.8933 42.8256 175.9172 121 L 4.6599 8.0928 124.0541 52.4836 43.3767 175.0128 122 P 4.4416 0.0000 0.0000 62.9346 31.2385 176.3502 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 40 A 8.26 4.29 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 41 A 8.25 4.21 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 42 P 0.00 4.49 0.00 1.61 1.82 0.00 3.75 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 1.60 2.16 0.00 43 E 8.44 4.29 0.00 2.03 1.96 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 2.36 2.28 0.00 44 S 8.38 4.81 0.00 3.89 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 45 F 8.47 5.08 0.00 3.14 3.12 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 46 D 8.71 5.07 0.00 2.62 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 47 E 9.39 4.80 0.00 2.14 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 2.37 2.41 0.00 48 V 8.35 4.68 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 0.80 0.00 0.00 0.96 0.00 0.00 49 Y 9.15 4.60 0.00 3.22 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 50 K 9.26 3.57 0.00 1.53 1.62 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.98 0.27 7.81 51 G 8.31 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 52 R 7.97 4.67 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 53 R 8.96 4.83 0.00 1.94 1.83 0.00 3.04 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 54 I 9.08 5.19 2.14 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 1.41 1.03 1.05 0.00 0.00 55 Q 9.22 4.75 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 56 G 7.57 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 57 R 7.62 4.82 0.00 1.66 1.78 0.00 2.70 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 58 P 0.00 4.82 0.00 2.13 2.22 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 59 A 8.69 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 H 9.10 4.73 0.00 3.18 3.35 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 67 E 7.67 4.70 0.00 1.98 1.68 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 2.13 2.35 0.00 68 H 9.05 4.70 0.00 3.31 3.36 0.00 5.56 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 69 G 8.52 3.15 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 0.00 70 G 8.96 3.39 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 0.00 71 G 8.80 4.15 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 0.00 72 Y 7.90 5.26 0.00 3.18 2.98 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 73 E 8.64 4.67 0.00 1.75 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 2.11 2.12 0.00 74 V 7.99 4.83 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 0.95 0.00 0.00 1.11 0.00 0.00 75 F 9.30 5.25 0.00 2.91 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 76 V 9.05 4.67 2.15 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 1.06 0.00 0.00 1.00 0.00 0.00 77 D 10.25 4.46 0.00 2.81 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 78 G 8.47 3.86 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 0.00 0.00 0.00 79 V 7.70 4.36 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 0.96 0.00 0.00 0.98 0.00 0.00 80 Q 8.77 3.90 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.01 1.51 0.00 81 L 8.27 4.56 0.00 1.61 1.52 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.83 4.33 0.00 3.25 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.18 5.10 2.44 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 0.87 0.00 0.00 1.12 0.00 0.00 84 M 9.18 4.84 0.00 1.96 1.62 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 85 R 8.04 3.69 0.00 0.67 1.15 0.00 2.89 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 86 N 8.60 4.67 0.00 2.60 2.58 0.00 0.00 6.66 7.79 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 87 A 8.65 3.87 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 88 D 7.92 4.51 0.00 2.76 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 89 G 8.25 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 90 S 8.18 4.69 0.00 4.04 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 91 W 9.45 5.30 0.00 3.16 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 92 I 8.75 5.19 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.89 0.00 0.00 93 S 8.34 5.43 0.00 4.09 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 94 V 8.64 3.80 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 0.73 0.00 0.00 0.91 0.00 0.00 95 V 7.65 4.24 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 0.70 0.00 0.00 0.97 0.00 0.00 96 S 7.88 4.71 0.00 3.85 3.71 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 97 H 8.12 4.37 0.00 2.91 2.67 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.91 4.69 0.00 2.97 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 99 D 7.61 4.78 0.00 2.64 2.55 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 0.00 100 P 0.00 4.62 0.00 2.07 1.94 0.00 3.68 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 2.01 2.08 0.00 101 V 8.57 4.63 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 0.75 0.00 0.00 0.98 0.00 0.00 102 P 0.00 4.62 0.00 2.17 2.19 0.00 3.70 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 1.95 1.94 0.00 103 T 7.38 4.56 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 1.13 0.00 0.00 104 P 0.00 3.67 0.00 1.84 0.96 0.00 2.97 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.44 0.00 105 R 7.27 2.87 0.00 0.67 1.30 0.00 2.98 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 0.00 106 A 7.93 3.77 1.26 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 0.00 0.00 107 A 7.93 3.90 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 0.00 108 A 8.21 3.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.26 0.00 1.55 1.03 0.00 2.74 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 110 A 8.15 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 0.00 111 A 8.14 3.95 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 0.00 112 V 8.02 3.61 2.55 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 1.21 0.00 0.00 1.12 0.00 0.00 113 D 8.37 4.48 0.00 2.97 2.80 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 0.00 0.00 0.00 0.00 114 E 8.16 4.12 0.00 2.15 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 0.00 2.36 2.68 0.00 115 L 8.42 4.12 0.00 1.77 1.87 0.99 1.21 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 0.00 116 Q 8.93 3.45 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 117 G 8.47 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 0.00 118 A 7.68 4.16 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 0.00 119 P 0.00 4.34 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 120 L 8.34 4.21 0.00 1.62 1.60 0.95 1.05 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 0.00 121 L 8.09 4.66 0.00 1.68 1.58 0.93 1.06 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 0.00 122 P 0.00 4.44 0.00 2.06 1.99 0.00 3.73 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 2.05 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.