NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 W 4.7910 8.2593 120.6104 56.8539 30.4401 174.0291 20 S 4.4981 8.3892 115.6005 56.1482 65.7427 171.4660 21 L 4.6356 8.5689 121.8236 53.2525 44.5154 176.4138 22 R 4.4058 8.6189 126.9485 54.5052 31.1819 175.1360 23 W 5.4042 7.6051 120.9102 55.1369 31.4281 174.0044 24 R 4.8338 8.4164 113.9330 55.0147 31.7043 174.3496 25 M 4.4427 8.7634 120.1644 54.9596 32.9056 176.2408 26 Q 4.1733 8.7688 124.8117 57.6743 29.8280 175.7296 27 K 4.4852 7.8216 117.9508 54.8287 34.5976 174.8622 28 S 4.8392 8.7048 122.5201 56.9142 65.0381 173.3341 29 T 4.7672 8.2028 113.2568 60.5058 71.8187 173.3712 30 T 4.4902 8.2815 108.0107 61.2935 68.9971 173.8274 31 I 3.8852 7.7120 123.5994 61.6713 37.0142 175.6322 32 A 4.4657 8.4580 127.1276 51.7194 19.3758 177.3989 33 A 4.2738 7.6759 120.2452 52.1245 16.4276 175.9239 34 I 4.4829 7.6794 119.4799 59.1420 40.6288 175.9260 35 A 4.0801 8.6524 128.1923 52.1268 18.7867 176.9957 36 G 3.9394 8.2423 109.3791 45.2314 0.0000 171.0797 37 C 4.7813 8.0811 112.6941 54.6202 44.3440 172.9415 38 S 4.6928 8.4229 115.8527 58.0936 63.8378 174.5249 39 G 3.7322 8.6941 111.7148 46.0192 0.0000 173.8814 40 A 3.8893 8.1211 120.9658 51.7782 19.3608 178.3062 41 A 3.8740 8.1935 125.2099 52.4796 18.8849 177.9140 42 T 4.8040 8.2143 109.1288 59.9363 69.7636 173.9698 43 F 4.5985 7.2937 118.3293 56.3823 39.2632 174.8132 44 G 4.2241 9.9626 106.4481 46.6573 0.0000 174.6716 45 G 3.9930 8.5215 106.6162 44.9667 0.0000 174.7038 46 L 4.2053 7.8464 120.0865 54.5913 42.2242 176.9242 47 A 4.8087 8.5961 123.0964 51.8475 20.6097 177.2266 48 G 3.6785 7.7106 105.3546 47.4220 0.0000 174.2278 49 G 4.2309 8.5936 110.4254 44.9948 0.0000 173.7241 50 I 3.6399 8.1393 118.0226 64.3508 36.8096 178.6720 51 V 3.6181 7.7934 118.7325 66.0196 31.3625 178.1514 52 G 3.4395 7.9069 104.9483 47.8130 0.0000 175.0297 53 C 4.2682 8.1920 118.7997 59.8762 40.8240 176.2455 54 I 3.6258 7.9549 121.2604 64.3698 36.6829 178.3226 55 A 3.9954 8.2146 121.6024 55.2396 18.1865 179.5930 56 A 4.2054 8.2881 119.3982 54.9955 18.4279 180.2302 57 G 3.5228 7.8979 104.1107 48.0453 0.0000 176.1422 58 I 3.7786 8.0233 122.8012 63.8497 37.1217 178.1569 59 L 3.9624 8.2423 121.0827 58.2720 41.9318 178.9650 60 A 3.9902 7.8883 120.1172 55.1723 18.3065 179.7291 61 I 3.5641 7.6521 117.8236 64.4420 36.9798 178.6665 62 L 4.2955 8.1370 118.9960 58.0815 41.6719 179.2764 63 Q 4.2912 8.3309 118.1225 58.7712 28.3971 179.0767 64 G 3.4465 7.9906 106.6927 47.8811 0.0000 175.6962 65 F 4.3481 8.0289 119.7063 59.3129 38.8465 177.3124 66 E 2.0000 7.1530 119.3756 58.5580 29.1197 179.5493 67 V 3.4542 6.8944 118.5036 64.8810 31.2790 178.1690 68 N 4.7545 8.3552 118.4683 54.6480 38.2569 177.1005 69 W 4.5649 7.6575 116.7152 59.0682 28.8083 177.9577 70 H 4.6379 8.0192 116.8811 58.0664 28.3121 175.7869 71 N 4.8139 8.4317 114.1231 52.3078 39.9112 175.2695 72 G 3.9059 7.9098 104.7656 45.2316 0.0000 173.4285 73 G 3.9240 9.1516 104.2518 45.1919 0.0000 172.6886 74 G 4.2080 9.0228 106.4144 44.6901 0.0000 171.7496 75 G 4.2431 7.8529 107.7114 45.1372 0.0000 171.1114 76 D 5.0703 8.1807 119.3668 52.4214 42.6404 176.3922 77 R 4.6133 8.5319 122.7506 54.1973 32.9913 175.0432 78 S 4.8018 8.1250 113.9529 56.7718 66.3149 172.7604 79 N 4.9045 8.2636 117.9266 51.3446 41.6964 172.4331 80 P 4.4137 0.0000 0.0000 62.9624 32.1335 176.7193 81 V 4.0149 8.0030 119.6567 61.9988 31.4851 175.1889 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 19 W 8.26 4.79 0.00 3.23 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 20 S 8.39 4.50 0.00 4.03 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 21 L 8.57 4.64 0.00 1.68 1.78 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.62 4.41 0.00 1.76 1.78 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 23 W 7.61 5.40 0.00 3.53 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 24 R 8.42 4.83 0.00 1.93 1.88 0.00 3.05 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 25 M 8.76 4.44 0.00 2.10 2.16 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 2.68 2.75 0.00 26 Q 8.77 4.17 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 27 K 7.82 4.49 0.00 1.70 1.64 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 28 S 8.70 4.84 0.00 3.90 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 29 T 8.20 4.77 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 1.22 0.00 0.00 30 T 8.28 4.49 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 1.22 0.00 0.00 31 I 7.71 3.89 1.87 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 1.23 0.54 0.93 0.00 0.00 32 A 8.46 4.47 1.25 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 0.00 0.00 0.00 33 A 7.68 4.27 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 34 I 7.68 4.48 1.85 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 1.33 0.82 0.89 0.00 0.00 35 A 8.65 4.08 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 36 G 8.24 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 37 C 8.08 4.78 0.00 3.02 3.19 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 38 S 8.42 4.69 0.00 3.86 3.81 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 0.00 0.00 0.00 39 G 8.69 3.73 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 0.00 40 A 8.12 3.89 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 41 A 8.19 3.87 0.24 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 42 T 8.21 4.80 4.20 0.00 0.00 0.00 0.00 0.00 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 43 F 7.29 4.60 0.00 3.19 3.26 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 44 G 9.96 4.22 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 0.00 45 G 8.52 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.85 4.21 0.00 1.86 1.59 0.91 0.88 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 47 A 8.60 4.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.59 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 0.00 0.00 0.00 0.00 50 I 8.14 3.64 1.84 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 1.50 0.87 0.88 0.00 0.00 51 V 7.79 3.62 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 1.08 0.00 0.00 0.90 0.00 0.00 52 G 7.91 3.44 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 0.00 53 C 8.19 4.27 0.00 3.11 3.26 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 54 I 7.95 3.63 1.94 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 1.42 0.72 0.86 0.00 0.00 55 A 8.21 4.00 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 56 A 8.29 4.21 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 57 G 7.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.02 3.78 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.95 0.00 0.00 59 L 8.24 3.96 0.00 1.87 2.02 0.81 0.85 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 60 A 7.89 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.56 2.06 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 1.46 0.85 1.05 0.00 0.00 62 L 8.14 4.30 0.00 1.84 1.93 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.33 4.29 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 64 G 7.99 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.35 0.00 3.30 3.06 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 66 E 7.15 2.00 0.00 1.57 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 1.61 2.02 0.00 67 V 6.89 3.45 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 0.79 0.00 0.00 0.88 0.00 0.00 68 N 8.36 4.75 0.00 3.19 3.27 0.00 0.00 6.51 7.27 0.00 0.00 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 W 7.66 4.56 0.00 3.45 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 70 H 8.02 4.64 0.00 3.20 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.43 4.81 0.00 2.84 2.82 0.00 0.00 7.26 6.94 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 72 G 7.91 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 0.00 0.00 0.00 73 G 9.15 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 74 G 9.02 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 0.00 0.00 0.00 0.00 75 G 7.85 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 0.00 0.00 0.00 0.00 76 D 8.18 5.07 0.00 2.66 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 77 R 8.53 4.61 0.00 1.35 1.49 0.00 2.21 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.00 78 S 8.12 4.80 0.00 3.90 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 79 N 8.26 4.90 0.00 2.61 2.66 0.00 0.00 7.02 7.69 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 80 P 0.00 4.41 0.00 2.06 1.97 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 81 V 8.00 4.01 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 0.70 0.00 0.00 0.96 0.00 0.00