NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 Q 4.4177 8.3444 119.1350 54.0360 31.1701 175.9626 14 F 4.5394 8.0361 119.4681 59.4113 40.0319 177.4458 15 K 4.0928 8.5118 124.8163 60.5996 31.9657 183.1511 16 E 4.1135 8.3844 119.5182 61.1634 29.4373 181.1016 17 F 4.3272 8.0723 120.8575 61.2078 39.6292 177.1455 18 L 3.5731 7.5639 118.4262 57.2961 41.0981 179.6568 19 G 3.5507 8.4392 105.4254 48.6044 0.0000 175.1681 20 T 3.8580 8.3164 119.0549 67.2322 68.3778 175.9424 21 Y 3.9231 8.5529 118.0037 60.5653 39.0781 177.9742 22 N 3.6833 8.7748 119.8028 55.5089 39.0089 177.1443 23 K 3.9134 8.6811 121.5541 58.4698 32.2285 178.7990 24 L 3.5318 8.2889 121.5415 58.2506 41.9133 178.4869 25 T 3.7465 7.5829 115.2351 67.6316 68.2593 174.8748 26 E 3.9125 7.9563 120.7739 59.0521 29.2099 178.5795 27 T 3.8807 8.2693 114.7798 67.4131 68.9873 175.8912 28 C 4.3442 8.8580 118.2782 59.7985 40.4505 175.5618 29 F 4.2028 8.4332 122.6545 61.6030 38.7817 177.1764 30 L 3.9127 8.0606 117.5548 57.5353 41.5533 178.5240 31 D 4.5860 7.6970 117.0720 55.4562 41.1978 177.2490 32 C 4.5395 7.7454 115.7770 57.7205 41.6687 174.4611 33 V 3.9089 6.8880 119.3517 62.8242 31.7504 175.2063 34 K 4.6034 8.5478 123.1510 57.9002 36.6969 176.5139 35 D 4.6993 7.9349 117.2598 53.7564 42.2344 176.2700 36 F 4.8806 8.8056 125.3643 56.8960 39.3259 175.5322 37 T 4.4208 7.9391 109.4318 62.2838 70.3841 174.5694 38 T 4.7051 7.4738 111.2261 60.3769 71.1216 172.4875 39 R 4.4450 8.5903 117.9453 56.2796 31.9596 175.8031 40 E 4.3728 7.8431 118.7193 54.6847 30.4891 175.3369 41 V 3.6259 8.5004 119.9818 61.3880 30.8759 175.3282 42 K 4.0451 8.1613 124.3458 54.6645 33.9921 174.4688 43 P 4.2380 0.0000 0.0000 66.0696 31.4082 178.3960 44 E 3.6884 8.2019 118.8338 58.6369 29.4573 178.1888 45 E 4.1178 7.9735 116.9714 58.8886 29.9494 178.1412 46 T 3.8192 7.9426 113.7000 64.7819 67.1443 175.8175 47 T 3.8562 7.3986 117.4461 66.3593 68.7173 175.7036 48 C 3.8599 7.5584 119.4623 60.5959 39.4297 175.5940 49 S 4.1203 8.2056 115.4015 62.1937 62.3356 176.4564 50 E 3.9692 8.0151 120.0385 60.2612 29.5095 179.5723 51 H 4.2450 8.3404 115.8032 59.0681 28.7809 176.9656 52 C 4.2960 9.0548 121.1925 59.5337 38.5516 175.3431 53 L 3.9671 8.4745 122.0945 58.9634 41.7055 178.4104 54 Q 4.0643 8.6265 118.4020 58.1953 28.3388 178.6552 55 K 3.9778 8.8571 122.5114 60.2204 32.7359 177.8648 56 Y 4.0065 8.2818 119.7266 60.3629 38.7178 177.4555 57 L 4.2968 8.2852 123.3467 57.9935 42.0987 180.3928 58 K 3.8794 8.2310 123.1762 60.1876 31.3621 180.5924 59 M 4.1290 8.1892 119.1405 58.7752 32.0852 178.3933 60 T 3.6742 7.4901 109.4569 64.8234 68.8019 175.9708 61 Q 3.9691 8.3317 121.3122 58.6951 28.6634 178.7768 62 R 3.8458 7.7680 118.9729 59.5326 29.9223 178.1257 63 I 3.6183 7.6353 118.5654 64.8464 37.4218 177.6064 64 S 4.2101 8.4703 113.5822 62.7846 62.0869 175.3849 65 M 3.6656 8.6168 117.5627 59.2909 31.6013 178.1460 66 R 3.8907 7.8753 122.2388 59.4621 31.0526 178.4283 67 F 4.5957 8.4834 120.6852 61.4997 39.1805 177.0271 68 Q 3.7771 8.8312 118.0410 58.9155 28.4454 178.6199 69 E 3.7666 8.0906 117.9458 58.8422 30.2572 177.8188 70 Y 4.4466 7.8137 119.6061 59.7595 39.5198 176.9988 71 H 4.2312 9.1088 118.4530 58.2481 28.7534 176.8990 72 I 4.0875 7.6447 113.6166 62.3452 37.8099 177.1649 73 Q 4.5351 7.3602 119.8039 57.0104 30.1109 180.9894 74 Q 4.4653 7.4636 116.6631 56.7204 29.8895 175.5971 75 N 4.5412 7.6699 116.8701 56.3980 39.7022 176.3692 76 E 3.9737 7.9891 118.7584 58.7952 29.8172 178.1798 77 A 4.1819 7.9415 122.0956 53.9323 19.2155 179.1851 78 L 4.2813 7.7690 119.4328 58.3905 41.0577 184.3034 79 A 4.1388 7.9404 119.7796 55.0626 18.1016 178.8605 80 A 4.0628 7.6342 119.3448 55.3511 18.4336 179.3901 81 K 3.8090 8.1499 117.0501 59.8167 31.8818 178.9533 82 A 4.3701 7.7466 115.1488 52.9202 18.0881 178.0671 83 G 3.9824 8.9509 111.7969 47.5529 0.0000 176.3181 84 L 3.9946 7.7773 121.0520 57.0102 41.1130 181.7391 85 L 4.4615 7.3254 121.6465 54.5893 41.8773 179.8084 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 13 Q 8.34 4.42 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 14 F 8.04 4.54 0.00 3.20 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 15 K 8.51 4.09 0.00 1.80 1.80 0.00 1.88 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.08 7.81 16 E 8.38 4.11 0.00 1.96 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 2.33 1.98 0.00 17 F 8.07 4.33 0.00 2.98 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 18 L 7.56 3.57 0.00 1.79 1.67 1.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.44 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 20 T 8.32 3.86 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 1.30 0.00 0.00 21 Y 8.55 3.92 0.00 2.14 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.77 3.68 0.00 2.74 2.69 0.00 0.00 6.38 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 23 K 8.68 3.91 0.00 1.67 1.85 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 24 L 8.29 3.53 0.00 1.43 1.62 -0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.58 3.75 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 0.98 0.00 0.00 26 E 7.96 3.91 0.00 1.89 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 2.32 2.39 0.00 27 T 8.27 3.88 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 1.23 0.00 0.00 28 C 8.86 4.34 0.00 3.00 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 29 F 8.43 4.20 0.00 3.18 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 30 L 8.06 3.91 0.00 1.67 1.73 0.96 1.16 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 31 D 7.70 4.59 0.00 2.72 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 32 C 7.75 4.54 0.00 3.05 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 33 V 6.89 3.91 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 0.34 0.00 0.00 0.74 0.00 0.00 34 K 8.55 4.60 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.51 7.81 35 D 7.93 4.70 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.88 0.00 2.91 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 37 T 7.94 4.42 4.26 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 1.31 0.00 0.00 38 T 7.47 4.71 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 39 R 8.59 4.44 0.00 1.76 1.93 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 40 E 7.84 4.37 0.00 1.97 1.81 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 2.24 2.25 0.00 41 V 8.50 3.63 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 0.73 0.00 0.00 0.92 0.00 0.00 42 K 8.16 4.05 0.00 1.80 1.67 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 43 P 0.00 4.24 0.00 2.28 2.28 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 44 E 8.20 3.69 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 2.35 2.35 0.00 45 E 7.97 4.12 0.00 2.16 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 0.00 2.27 2.35 0.00 46 T 7.94 3.82 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 1.23 0.00 0.00 47 T 7.40 3.86 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 0.99 0.00 0.00 48 C 7.56 3.86 0.00 3.07 3.28 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 0.00 49 S 8.21 4.12 0.00 4.07 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 50 E 8.02 3.97 0.00 2.19 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 0.00 2.36 2.53 0.00 51 H 8.34 4.24 0.00 3.33 3.35 0.00 5.65 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 52 C 9.05 4.30 0.00 3.02 3.41 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 53 L 8.47 3.97 0.00 1.79 1.91 1.00 0.70 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 54 Q 8.63 4.06 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.37 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 55 K 8.86 3.98 0.00 1.76 2.00 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.57 7.81 56 Y 8.28 4.01 0.00 3.34 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 57 L 8.29 4.30 0.00 1.83 1.80 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.23 3.88 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 59 M 8.19 4.13 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 60 T 7.49 3.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 61 Q 8.33 3.97 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 62 R 7.77 3.85 0.00 1.89 2.03 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 63 I 7.64 3.62 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.80 0.00 0.00 64 S 8.47 4.21 0.00 3.85 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 65 M 8.62 3.67 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 66 R 7.88 3.89 0.00 1.94 2.07 0.00 3.41 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 67 F 8.48 4.60 0.00 3.02 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 68 Q 8.83 3.78 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 69 E 8.09 3.77 0.00 2.13 2.10 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 2.35 2.43 0.00 70 Y 7.81 4.45 0.00 3.21 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 71 H 9.11 4.23 0.00 3.00 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.64 4.09 1.84 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 0.50 0.89 0.00 0.00 73 Q 7.36 4.54 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 74 Q 7.46 4.47 0.00 1.62 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 75 N 7.67 4.54 0.00 2.90 2.71 0.00 0.00 7.18 7.65 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 76 E 7.99 3.97 0.00 2.03 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 2.37 2.35 0.00 77 A 7.94 4.18 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 78 L 7.77 4.28 0.00 1.70 1.67 0.92 0.68 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 79 A 7.94 4.14 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.63 4.06 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 81 K 8.15 3.81 0.00 1.81 1.99 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 82 A 7.75 4.37 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 84 L 7.78 3.99 0.00 1.71 1.62 0.92 0.81 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 85 L 7.33 4.46 0.00 1.53 1.38 0.92 0.81 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