NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3228 8.3449 119.6882 55.6942 30.3905 174.7330 13 R 4.2373 8.2826 118.3494 54.8243 32.4225 175.5329 14 P 4.0461 0.0000 0.0000 65.7045 31.7870 178.2361 15 L 3.9437 7.8105 117.0862 58.0470 41.9723 179.0951 16 D 4.5672 8.1264 118.0075 57.3881 40.8984 178.4198 17 A 4.0137 8.4367 121.7147 55.0443 18.2851 179.1115 18 L 3.8406 8.1781 119.3132 58.3733 41.8674 179.2604 19 G 4.0839 8.1837 105.4107 48.3433 0.0000 175.0987 20 N 4.5374 8.0396 116.9758 55.2752 38.8439 176.5057 21 S 4.6917 8.3594 116.0920 57.5105 63.2623 173.6797 22 L 4.1938 7.5788 122.8914 56.9108 41.4903 176.7179 23 N 4.5754 9.6168 121.4471 53.7094 36.6042 174.2206 24 S 4.8685 8.0160 112.4596 55.9938 67.9938 171.8388 25 P 4.9133 0.0000 0.0000 63.0085 32.4103 175.9910 26 V 4.8091 8.7817 115.5922 60.0755 37.0941 173.8493 27 I 4.9211 9.1818 122.4125 59.7178 40.5268 174.7916 28 I 4.7424 9.0223 127.6474 59.3796 39.7313 174.3678 29 K 4.6840 8.2680 128.6965 54.6473 34.0897 175.5131 30 L 4.9550 8.6898 128.0982 52.9339 44.2636 176.4642 31 K 4.1735 8.5130 120.8642 57.9787 32.2664 178.0259 32 G 3.9364 9.0216 110.7022 44.8189 0.0000 173.9492 33 D 4.6016 7.8873 117.3715 54.4226 39.1689 174.3994 34 R 4.0995 7.6232 118.9525 56.2748 31.4866 175.0941 35 E 5.0730 8.4014 122.6536 54.4338 33.1554 174.1518 36 F 5.2013 9.5006 125.0774 55.5943 42.9896 174.0782 37 R 5.0348 9.2537 122.3015 54.1110 33.4077 174.8000 38 G 4.3097 7.9535 112.1159 46.2631 0.0000 171.4227 39 V 4.6517 8.0533 120.7723 61.5598 32.8170 175.0069 40 L 4.4506 8.5837 130.6262 55.4430 42.3698 177.1550 41 K 4.5121 8.5486 124.3360 56.5497 34.9152 176.2430 42 S 4.6672 7.9623 111.5855 57.8821 65.3939 174.8603 43 F 6.0941 8.3065 118.9124 56.8979 40.9542 172.0091 44 D 5.0118 8.5786 117.9400 51.1024 42.4201 176.1227 45 L 4.2228 8.6110 117.9607 58.0616 41.4723 178.1627 46 H 4.5174 8.3602 113.5662 55.8042 29.1638 175.9702 47 M 3.3342 8.7306 118.4869 55.8381 29.8870 176.3302 48 N 4.9379 8.6748 117.8399 53.4299 39.8660 174.2501 49 L 5.3007 9.3320 122.5679 54.3945 45.1269 174.8111 50 V 4.8573 8.7720 118.8490 61.0697 34.4438 174.1159 51 L 5.3512 8.9961 127.1431 53.0985 45.0772 175.1831 52 N 5.1218 9.2080 120.0486 51.8841 41.7073 174.4363 53 D 4.5329 8.6815 118.3780 55.3538 38.7894 174.0762 54 A 4.8101 8.1976 120.2541 52.1162 20.0863 177.5738 55 E 5.0772 9.1621 117.8014 54.9438 33.4828 173.6833 56 E 4.0919 9.1868 124.5641 55.2217 30.9955 175.1372 57 L 4.7019 8.5596 127.4203 53.5445 44.4358 176.7340 58 E 4.1288 8.7718 121.8095 56.2808 31.1418 174.5869 59 D 4.4591 9.2149 129.0794 55.4190 37.6548 175.3002 60 G 3.9421 8.0678 103.6119 45.8407 0.0000 172.3088 61 E 4.5200 7.4905 119.6824 53.7332 31.9788 175.0230 62 V 3.7759 8.4986 122.9682 64.1004 31.4831 175.4823 63 T 4.3286 9.3689 126.5753 66.1873 69.1358 175.5368 64 R 4.5608 7.5770 114.4028 55.3685 32.5183 173.9496 65 R 4.9789 8.6423 119.7514 54.8296 31.5812 175.9133 66 L 4.5494 9.3047 123.0434 52.5696 43.4003 178.6545 67 G 3.8229 8.2204 108.4353 47.0313 0.0000 175.0091 68 T 4.9680 8.5367 122.4346 62.6979 69.1775 173.7983 69 V 4.4595 8.9145 125.8182 59.6868 35.1068 174.0886 70 L 4.9844 8.4828 124.9981 53.5987 43.7229 175.1271 71 I 4.3966 8.8242 127.7011 59.4241 39.9865 175.3730 72 R 4.4003 8.4938 126.2357 55.3622 30.8980 177.8385 73 G 3.8736 8.7905 111.5400 47.6988 0.0000 174.7575 74 D 4.3593 8.1594 118.3483 56.7724 41.3619 176.4176 75 N 4.7262 7.9980 114.4926 53.1896 39.3646 174.8160 76 I 4.0678 7.4169 120.5426 61.2890 37.8725 175.5210 77 V 4.2134 8.6596 126.3649 64.6959 32.1606 175.1941 78 Y 5.0109 7.0773 116.0615 56.0156 41.5210 172.8733 79 I 5.4046 8.4462 120.0656 59.7676 40.8251 174.9707 80 S 4.8315 9.0321 120.0360 56.5686 67.1475 173.1001 81 R 4.3757 8.6595 119.9166 55.1879 30.5810 177.4492 82 G 4.1935 7.2890 109.5862 49.3306 0.0000 173.6483 83 K 4.2209 7.7007 112.8537 56.0428 33.2984 176.3251 84 L 4.3632 10.7524 126.2118 55.3410 40.1832 173.8917 85 A 4.1949 7.3953 123.5686 52.4596 19.1375 175.4810 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 12 Q 8.34 4.32 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 13 R 8.28 4.24 0.00 1.94 1.84 0.00 3.17 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 14 P 0.00 4.05 0.00 2.15 2.04 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 15 L 7.81 3.94 0.00 1.66 1.87 0.96 1.05 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 16 D 8.13 4.57 0.00 2.94 3.05 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 17 A 8.44 4.01 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 18 L 8.18 3.84 0.00 1.56 0.81 -0.29 0.91 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 19 G 8.18 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 0.00 0.00 0.00 20 N 8.04 4.54 0.00 2.82 2.93 0.00 0.00 7.05 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 21 S 8.36 4.69 0.00 4.03 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 22 L 7.58 4.19 0.00 1.84 1.70 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.62 4.58 0.00 2.87 3.10 0.00 0.00 6.84 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 24 S 8.02 4.87 0.00 3.93 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 25 P 0.00 4.91 0.00 2.09 1.98 0.00 3.57 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 2.12 2.13 0.00 26 V 8.78 4.81 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 0.99 0.00 0.00 0.98 0.00 0.00 27 I 9.18 4.92 1.96 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 1.27 0.80 1.07 0.00 0.00 28 I 9.02 4.74 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.87 0.00 0.00 29 K 8.27 4.68 0.00 0.85 0.74 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 1.17 7.81 30 L 8.69 4.95 0.00 1.66 1.58 1.02 0.56 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 31 K 8.51 4.17 0.00 1.74 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.63 7.81 32 G 9.02 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 33 D 7.89 4.60 0.00 2.87 2.85 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 34 R 7.62 4.10 0.00 1.83 1.85 0.00 3.22 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 35 E 8.40 5.07 0.00 1.91 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 36 F 9.50 5.20 0.00 2.98 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 37 R 9.25 5.03 0.00 1.84 1.74 0.00 3.20 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 38 G 7.95 4.31 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 0.00 39 V 8.05 4.65 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 0.94 0.00 0.00 0.95 0.00 0.00 40 L 8.58 4.45 0.00 1.89 1.73 0.99 0.32 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 41 K 8.55 4.51 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.64 7.81 42 S 7.96 4.67 0.00 3.81 3.63 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 43 F 8.31 6.09 0.00 3.10 2.97 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 0.00 44 D 8.58 5.01 0.00 2.86 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 45 L 8.61 4.22 0.00 1.52 1.75 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.36 4.52 0.00 3.55 3.34 0.00 5.89 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 47 M 8.73 3.33 0.00 2.13 2.24 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 2.44 2.40 0.00 48 N 8.67 4.94 0.00 2.97 2.75 0.00 0.00 6.52 7.44 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 49 L 9.33 5.30 0.00 1.78 1.82 0.89 0.67 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 50 V 8.77 4.86 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 0.97 0.00 0.00 0.93 0.00 0.00 51 L 9.00 5.35 0.00 1.56 1.52 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.21 5.12 0.00 2.60 2.71 0.00 0.00 6.94 7.78 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 53 D 8.68 4.53 0.00 2.83 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 54 A 8.20 4.81 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 55 E 9.16 5.08 0.00 2.08 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 0.00 2.42 2.26 0.00 56 E 9.19 4.09 0.00 1.60 1.62 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 1.83 1.47 0.00 57 L 8.56 4.70 0.00 1.40 1.49 0.96 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.77 4.13 0.00 1.91 1.74 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 2.17 2.22 0.00 59 D 9.21 4.46 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 61 E 7.49 4.52 0.00 1.93 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 0.00 2.19 2.31 0.00 62 V 8.50 3.78 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 0.81 0.00 0.00 0.92 0.00 0.00 63 T 9.37 4.33 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 64 R 7.58 4.56 0.00 1.81 1.97 0.00 3.05 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 65 R 8.64 4.98 0.00 1.71 1.90 0.00 3.16 0.00 0.00 3.23 7.17 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 L 9.30 4.55 0.00 1.53 1.71 1.17 1.22 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 67 G 8.22 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 68 T 8.54 4.97 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 1.24 0.00 0.00 69 V 8.91 4.46 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 0.83 0.00 0.00 0.71 0.00 0.00 70 L 8.48 4.98 0.00 1.61 1.55 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.82 4.40 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.23 0.80 0.00 0.00 72 R 8.49 4.40 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 8.79 3.87 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 0.00 0.00 0.00 74 D 8.16 4.36 0.00 2.64 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 75 N 8.00 4.73 0.00 2.80 2.81 0.00 0.00 6.89 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.42 4.07 1.99 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 1.13 0.43 0.87 0.00 0.00 77 V 8.66 4.21 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 0.97 0.00 0.00 0.93 0.00 0.00 78 Y 7.08 5.01 0.00 3.04 3.01 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 79 I 8.45 5.40 1.87 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 1.37 0.65 0.90 0.00 0.00 80 S 9.03 4.83 0.00 3.87 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 0.00 81 R 8.66 4.38 0.00 1.71 1.92 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 82 G 7.29 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 0.00 0.00 0.00 0.00 83 K 7.70 4.22 0.00 1.78 1.23 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 84 L 10.75 4.36 0.00 1.78 2.01 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.40 4.19 1.19 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 0.00 0.00 0.00