NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6032 8.4249 118.1132 52.3686 40.0263 173.4375 2 S 3.9964 8.3476 114.9046 59.0962 63.3806 172.7744 3 S 4.8639 8.4644 119.1796 56.2209 66.0753 171.8382 4 K 5.2347 8.2906 119.1460 55.2777 35.7046 174.9687 5 C 4.8420 8.6623 119.5033 58.1242 35.6985 172.3631 6 Y 4.9888 8.6275 120.7735 57.0517 40.3173 174.9030 7 I 5.0104 8.9123 122.0208 60.1647 42.3109 173.5949 8 Q 4.7282 9.3273 128.7647 54.7026 30.6845 174.4437 9 V 4.2248 8.0475 119.6698 59.9875 33.2081 177.3013 10 T 3.8868 7.9596 123.4208 59.9506 65.9526 174.4096 11 G 4.1342 7.9230 113.5276 46.0539 0.0000 171.2580 12 M 4.0607 7.8010 121.9659 58.8414 32.2717 179.5202 13 T 4.5004 7.4238 115.3641 61.4056 67.8106 175.7697 14 C 4.0919 8.2705 122.7104 61.1025 31.9799 173.9193 15 A 3.9432 8.1309 117.4717 53.1840 17.6638 177.1869 16 S 4.3580 8.1448 119.2380 60.9540 61.6401 173.6954 17 C 3.5775 7.6917 116.9291 62.7769 27.9193 176.8111 18 V 3.7430 7.9158 119.2598 65.7199 31.2067 177.7338 19 A 3.9691 7.8704 120.2320 55.0650 18.3403 178.7838 20 N 4.1859 8.4679 115.9417 57.0012 38.9353 177.1211 21 I 3.6734 8.0894 121.4150 64.2932 37.1480 177.9062 22 E 3.9506 8.4445 119.9078 59.9234 29.1646 179.8156 23 R 3.9088 7.7494 116.0473 59.2897 28.7973 178.6979 24 N 4.4347 8.5702 116.4650 56.3313 38.6047 177.5152 25 L 3.9572 8.1878 120.4027 57.8576 41.7892 179.4626 26 R 3.9683 7.9808 116.3016 58.3911 29.9731 177.8397 27 R 3.9195 6.8525 115.7344 57.5785 30.4146 176.8207 28 E 4.6393 8.3596 113.8022 57.2139 33.4501 175.1799 29 E 3.5608 8.0038 114.5270 57.1361 26.4569 175.4063 30 G 4.0358 7.8933 103.7792 46.1710 0.0000 172.2969 31 I 4.5258 6.8039 120.8319 60.8217 37.8334 175.8888 32 Y 4.8371 8.4412 124.6519 56.9528 39.1345 175.0376 33 S 4.7509 7.6280 110.5617 57.4265 65.8559 175.1427 34 I 4.4701 8.4716 119.4737 60.1886 38.7559 175.2639 35 L 4.4334 8.2693 123.6992 55.5766 41.0544 176.2807 36 V 4.4958 8.2103 119.5939 61.8134 34.6548 173.5457 37 A 4.6736 8.5514 127.1900 50.9928 19.8638 178.0388 38 L 4.1002 7.9296 126.0998 58.0884 43.1443 178.1306 39 M 3.8706 8.3480 117.3635 58.6202 32.1653 177.0610 40 A 4.1860 8.3989 119.6241 55.4090 19.3606 177.6830 41 G 3.3450 6.8132 108.3051 44.3403 0.0000 171.9577 42 K 4.5542 7.2370 118.6729 55.9622 36.3607 174.1476 43 A 5.0976 9.1586 121.3249 50.4160 22.5603 175.6316 44 E 5.0754 8.7929 118.4445 54.0987 31.3605 173.7038 45 V 3.9679 8.0768 127.2978 61.8218 33.6023 174.8811 46 R 5.2713 8.8688 124.9582 55.0272 31.7096 174.4654 47 Y 5.5468 9.2606 123.8177 56.5061 41.6154 172.4784 48 N 5.0461 9.2864 117.5835 50.5964 39.0908 174.0698 49 P 4.6250 0.0000 0.0000 63.4656 32.2280 177.5190 50 A 4.1698 8.1517 122.1484 54.8586 19.4131 178.9179 51 V 3.7084 8.3029 114.6127 65.9734 31.8861 176.8584 52 I 4.0068 7.3364 115.0349 63.4085 38.6393 176.4331 53 Q 4.3882 8.2895 116.8894 56.9190 27.8185 172.1014 54 P 4.4058 0.0000 0.0000 64.3784 31.4250 176.7154 55 P 4.2206 0.0000 0.0000 66.4191 30.9157 178.2166 56 M 3.6116 7.6347 118.3902 57.5967 31.6392 178.4365 57 I 3.1662 7.4498 117.6818 63.6410 38.2262 177.6431 58 A 4.0172 7.4179 120.5539 55.0573 18.2361 179.0471 59 E 3.8997 8.4076 117.2158 59.9861 29.2932 179.6152 60 F 4.7222 8.2627 119.0108 60.4986 38.9305 178.1131 61 I 3.9279 8.2174 118.8934 64.1556 36.4624 178.3854 62 R 4.3328 8.1865 120.9626 58.9335 29.8221 178.7679 63 E 3.8718 8.2556 117.6927 58.8146 29.8380 178.9751 64 L 4.2124 7.5797 116.1034 55.9248 41.1847 176.1471 65 G 3.3567 6.4472 105.5578 43.9144 0.0000 173.1089 66 F 4.6479 8.0083 111.3544 55.0859 42.5794 173.8166 67 G 3.8377 8.5617 106.7331 47.0719 0.0000 172.3309 68 A 5.1516 8.6941 129.1783 50.0807 19.9422 174.1732 69 T 4.3358 8.8125 112.0542 61.3561 70.2700 174.9079 70 V 4.1988 8.3739 126.7198 61.4282 33.1197 176.3058 71 I 4.5580 9.1206 124.2032 58.9879 40.2135 175.6913 72 E 4.4618 8.4338 130.9619 54.9811 29.3828 175.1725 73 N 4.5154 7.7424 114.6740 54.6090 42.0909 172.8732 74 I 3.9990 8.3178 119.7270 60.0128 41.1161 173.0705 75 E 4.5612 7.6346 126.7039 54.5929 32.1916 174.3152 76 G 4.0038 7.6668 110.9604 46.0305 0.0000 172.5520 77 R 4.0871 7.8233 118.8072 56.8832 29.8944 174.3314 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 8.42 4.60 0.00 2.64 2.74 0.00 0.00 6.85 6.62 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 2 S 8.35 4.00 0.00 3.85 3.96 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 3 S 8.46 4.86 0.00 3.77 3.49 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 4 K 8.29 5.23 0.00 1.86 1.66 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.85 1.12 7.81 5 C 8.66 4.84 0.00 3.17 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.63 4.99 0.00 3.17 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.91 5.01 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.91 0.00 0.00 8 Q 9.33 4.73 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 9 V 8.05 4.22 0.67 0.00 0.00 0.00 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 0.63 0.00 0.00 10 T 7.96 3.89 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 1.19 0.00 0.00 11 G 7.92 4.13 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 0.00 0.00 0.00 12 M 7.80 4.06 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 13 T 7.42 4.50 4.25 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 1.21 0.00 0.00 14 C 8.27 4.09 0.00 3.20 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 15 A 8.13 3.94 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 16 S 8.14 4.36 0.00 4.08 4.04 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 0.00 0.00 0.00 0.00 17 C 7.69 3.58 0.00 3.10 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 18 V 7.92 3.74 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 19 A 7.87 3.97 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 20 N 8.47 4.19 0.00 2.76 2.96 0.00 0.00 7.19 7.99 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 21 I 8.09 3.67 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.95 0.00 0.00 22 E 8.44 3.95 0.00 2.21 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 2.40 0.00 23 R 7.75 3.91 0.00 1.96 1.98 0.00 3.32 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 24 N 8.57 4.43 0.00 2.79 2.84 0.00 0.00 7.00 6.65 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 25 L 8.19 3.96 0.00 1.74 1.68 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.98 3.97 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 R 6.85 3.92 0.00 1.97 1.95 0.00 3.31 0.00 0.00 3.24 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 28 E 8.36 4.64 0.00 2.08 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 2.03 1.98 0.00 29 E 8.00 3.56 0.00 2.25 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 0.00 2.43 2.45 0.00 30 G 7.89 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 6.80 4.53 1.73 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 1.39 0.71 0.89 0.00 0.00 32 Y 8.44 4.84 0.00 2.89 2.91 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 33 S 7.63 4.75 0.00 3.90 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.47 1.88 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 1.41 0.59 0.90 0.00 0.00 35 L 8.27 4.43 0.00 1.65 1.73 0.99 0.64 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 36 V 8.21 4.50 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 0.69 0.00 0.00 0.98 0.00 0.00 37 A 8.55 4.67 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 38 L 7.93 4.10 0.00 1.73 1.71 1.00 0.82 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 39 M 8.35 3.87 0.00 2.03 2.13 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 2.60 2.59 0.00 40 A 8.40 4.19 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 41 G 6.81 3.35 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 0.00 42 K 7.24 4.55 0.00 1.99 1.92 0.00 1.48 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.70 7.81 43 A 9.16 5.10 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 44 E 8.79 5.08 0.00 1.68 1.79 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 2.28 2.11 0.00 45 V 8.08 3.97 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 0.37 0.00 0.00 0.89 0.00 0.00 46 R 8.87 5.27 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 47 Y 9.26 5.55 0.00 3.13 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 48 N 9.29 5.05 0.00 2.85 3.07 0.00 0.00 7.59 8.44 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 P 0.00 4.63 0.00 2.23 2.19 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 50 A 8.15 4.17 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 51 V 8.30 3.71 2.26 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 0.79 0.00 0.00 1.03 0.00 0.00 52 I 7.34 4.01 2.09 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 1.01 1.05 1.07 0.00 0.00 53 Q 8.29 4.39 0.00 2.11 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.64 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 54 P 0.00 4.41 0.00 2.21 2.27 0.00 3.94 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 55 P 0.00 4.22 0.00 2.35 2.29 0.00 3.60 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 2.04 2.06 0.00 56 M 7.63 3.61 0.00 1.14 2.06 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 2.58 2.51 0.00 57 I 7.45 3.17 1.38 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.19 0.00 0.00 58 A 7.42 4.02 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 59 E 8.41 3.90 0.00 2.09 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 2.34 2.51 0.00 60 F 8.26 4.72 0.00 2.93 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 61 I 8.22 3.93 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 1.22 0.00 0.00 62 R 8.19 4.33 0.00 1.96 2.02 0.00 3.18 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 63 E 8.26 3.87 0.00 2.08 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 2.42 2.40 0.00 64 L 7.58 4.21 0.00 1.71 1.72 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 G 6.45 3.36 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 0.00 66 F 8.01 4.65 0.00 2.98 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 67 G 8.56 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 0.00 0.00 0.00 68 A 8.69 5.15 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 69 T 8.81 4.34 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 70 V 8.37 4.20 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 0.68 0.00 0.00 0.95 0.00 0.00 71 I 9.12 4.56 1.97 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 1.30 0.93 0.99 0.00 0.00 72 E 8.43 4.46 0.00 2.13 2.08 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 2.31 2.33 0.00 73 N 7.74 4.52 0.00 2.67 2.69 0.00 0.00 7.02 7.95 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 74 I 8.32 4.00 0.58 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.30 0.75 0.00 0.00 75 E 7.63 4.56 0.00 1.88 1.70 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 2.17 2.26 0.00 76 G 7.67 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.09 0.00 1.72 1.72 0.00 3.42 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00