NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7998 8.4093 118.1657 53.5881 41.1030 175.3263 2 S 4.3870 7.8259 112.6268 56.8829 61.8196 172.0062 3 Y 4.0363 7.5639 121.2169 56.9928 40.0366 174.9651 4 P 4.5896 0.0000 0.0000 62.7931 31.0389 176.3334 5 G 4.1201 8.1635 112.5811 44.2775 0.0000 169.9823 6 C 4.5938 8.6319 114.3344 54.0789 43.5135 172.3213 7 P 4.3319 0.0000 0.0000 62.3144 31.3567 175.9004 8 S 4.2564 8.7669 112.2501 62.1195 62.9816 176.4140 9 S 3.9372 7.9794 114.2097 60.1292 62.9348 174.1040 10 Y 4.5980 7.7058 120.3484 57.9695 37.0523 175.2400 11 D 4.9144 7.7195 114.9545 53.7785 42.9651 175.8546 12 G 4.1267 7.7793 103.1302 46.9553 0.0000 174.5762 13 Y 4.2840 8.2928 121.6168 59.7895 39.0018 176.7266 14 C 4.4501 6.9851 116.6957 54.7957 41.9630 174.0129 15 L 3.8813 8.2991 123.5903 56.8909 41.7201 176.8385 16 N 4.9003 7.6861 115.2183 51.1490 41.6426 174.7188 17 G 3.4523 8.9001 107.0736 47.2067 0.0000 174.9020 18 G 3.7301 9.2673 104.4968 45.6374 0.0000 173.5539 19 V 4.3123 8.0924 123.5921 60.3807 33.2922 171.8401 20 C 4.7431 8.7014 122.5603 56.5879 37.1193 172.8755 21 M 5.1420 9.4624 121.2607 54.5816 36.3671 174.9609 22 H 4.3910 8.4211 118.0400 55.3021 31.9188 171.1738 23 I 3.1112 7.8861 125.0091 60.1660 37.3327 174.8276 24 E 4.3146 8.5222 123.5944 57.1937 30.3985 177.1364 25 S 3.4096 8.1248 114.5907 60.3893 61.5775 174.1572 26 L 4.4994 8.2185 131.8237 53.9060 43.2670 175.6101 27 D 3.3700 8.8692 115.7059 57.2374 39.3911 178.7054 28 S 3.7970 9.1935 115.1513 59.1955 61.4067 167.8680 29 Y 4.0077 6.2454 114.9096 59.2040 37.9675 175.7082 30 T 4.3706 7.8555 117.6380 61.7237 72.0659 169.1194 31 C 5.4012 9.1778 118.5337 53.1881 42.0184 173.3338 32 N 4.2288 8.8667 123.6514 54.2779 39.2430 175.1039 33 C 4.6705 8.6268 123.4863 56.8810 36.3213 171.4142 34 V 4.2467 7.3900 113.2231 61.1216 35.2376 174.1163 35 I 4.4004 8.2809 121.9801 65.2311 36.1210 174.5849 36 G 4.4468 8.5690 117.5355 45.8531 0.0000 171.7256 37 Y 5.3310 8.6792 118.0915 56.1931 41.5621 174.7415 38 S 4.8434 8.6554 114.7715 57.6039 67.4135 171.4028 39 G 4.1883 9.1235 105.5728 44.8673 0.0000 174.9220 40 D 4.4079 8.9540 119.8239 56.4941 41.2887 176.9453 41 R 5.1148 7.9639 121.0944 57.2300 31.3826 174.0149 42 C 4.7932 8.2717 108.8052 57.7345 38.4359 174.6931 43 Q 3.9289 7.6802 121.9481 59.3861 28.9739 177.7458 44 T 4.3237 7.6877 116.2147 62.0649 67.0443 172.0750 45 R 4.5370 7.8253 122.3154 55.4245 31.3879 176.6279 46 D 4.5320 7.9091 126.6438 56.2595 40.7916 176.9364 47 L 3.0914 7.4942 119.0574 55.8758 41.5623 174.2469 48 R 2.5550 8.0701 120.1029 56.4553 30.3309 174.8302 49 W 5.1019 6.4547 118.9688 56.5494 35.8266 175.1792 50 W 3.4377 6.9756 114.5485 56.6895 27.0086 179.3963 51 E 3.9057 7.6395 121.8633 55.1414 29.8883 176.6069 52 L 4.2808 7.4272 118.9251 54.4052 43.8676 175.5208 53 R 4.1448 8.6083 122.8864 56.6740 31.0079 175.8296 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 8.41 4.80 0.00 2.78 2.99 0.00 0.00 6.99 6.71 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 2 S 7.83 4.39 0.00 4.05 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 3 Y 7.56 4.04 0.00 3.06 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 4 P 0.00 4.59 0.00 2.21 2.12 0.00 3.43 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 5 G 8.16 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 0.00 0.00 0.00 6 C 8.63 4.59 0.00 3.02 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 7 P 0.00 4.33 0.00 1.99 1.99 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 8 S 8.77 4.26 0.00 3.98 4.10 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 9 S 7.98 3.94 0.00 3.57 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 10 Y 7.71 4.60 0.00 3.25 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 11 D 7.72 4.91 0.00 2.66 2.61 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 0.00 0.00 0.00 12 G 7.78 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 13 Y 8.29 4.28 0.00 2.68 2.99 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 14 C 6.99 4.45 0.00 2.91 2.52 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 15 L 8.30 3.88 0.00 1.64 1.74 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.69 4.90 0.00 2.45 2.74 0.00 0.00 7.20 7.87 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 17 G 8.90 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 18 G 9.27 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 19 V 8.09 4.31 2.05 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 1.12 0.00 0.00 0.88 0.00 0.00 20 C 8.70 4.74 0.00 3.11 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 21 M 9.46 5.14 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 22 H 8.42 4.39 0.00 3.26 3.33 0.00 6.10 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.89 3.11 1.66 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 1.25 0.47 0.83 0.00 0.00 24 E 8.52 4.31 0.00 1.92 1.87 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 2.29 2.35 0.00 25 S 8.12 3.41 0.00 3.97 3.17 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 0.00 0.00 0.00 26 L 8.22 4.50 0.00 1.54 1.56 0.89 0.94 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 27 D 8.87 3.37 0.00 2.68 2.27 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 0.00 0.00 0.00 0.00 28 S 9.19 3.80 0.00 3.83 3.78 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 0.00 0.00 0.00 0.00 29 Y 6.25 4.01 0.00 2.78 1.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.37 4.29 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 1.22 0.00 0.00 31 C 9.18 5.40 0.00 2.97 3.23 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 32 N 8.87 4.23 0.00 2.78 2.75 0.00 0.00 6.83 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 33 C 8.63 4.67 0.00 2.97 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 34 V 7.39 4.25 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 0.63 0.00 0.00 0.32 0.00 0.00 35 I 8.28 4.40 1.94 0.00 0.00 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 1.41 0.78 1.08 0.00 0.00 36 G 8.57 4.45 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 37 Y 8.68 5.33 0.00 3.36 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 38 S 8.66 4.84 0.00 3.99 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 39 G 9.12 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 40 D 8.95 4.41 0.00 2.73 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 41 R 7.96 5.11 0.00 1.82 2.12 0.00 2.77 0.00 0.00 2.94 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 42 C 8.27 4.79 0.00 3.07 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 43 Q 7.68 3.93 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 7.37 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 44 T 7.69 4.32 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 1.25 0.00 0.00 45 R 7.83 4.54 0.00 2.28 1.98 0.00 3.63 0.00 0.00 3.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 46 D 7.91 4.53 0.00 2.93 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.09 0.00 1.53 1.49 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.07 2.55 0.00 1.64 1.79 0.00 3.25 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 49 W 6.45 5.10 0.00 3.07 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 50 W 6.98 3.44 0.00 2.47 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 0.00 0.00 0.00 51 E 7.64 3.91 0.00 1.16 1.12 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 1.93 1.86 0.00 52 L 7.43 4.28 0.00 1.50 1.53 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.61 4.14 0.00 1.93 1.83 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00