NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 3.1400 8.2827 118.0138 52.0127 40.7186 175.1905 2 N 3.9634 7.4694 116.7117 54.8937 38.9472 174.0650 3 Y 4.3339 8.1919 120.5753 62.1098 38.3493 178.3212 4 T 3.9283 7.8249 116.2140 66.6723 68.5264 176.4679 5 S 4.1273 7.9850 114.5599 61.2951 62.3850 176.1146 6 L 4.0427 7.9355 121.5266 57.8514 41.4606 179.2421 7 I 3.7154 8.2412 120.2153 64.9299 37.0773 177.9019 8 H 4.2110 8.1751 118.2938 59.2780 29.5681 177.5943 9 S 4.0585 7.8023 117.1476 61.6139 62.7625 176.5275 10 L 4.0051 8.2638 121.9506 57.8330 41.2792 179.8408 11 I 3.7401 7.6854 119.9113 64.3045 36.9881 178.0551 12 E 3.9140 8.1246 120.2714 58.9500 29.4292 178.4768 13 E 3.8570 8.2327 119.5018 59.3627 29.8795 178.4429 14 S 4.0972 8.0383 113.1300 61.8231 62.3161 176.3789 15 Q 3.9921 8.2150 120.3585 58.9768 28.5378 178.1725 16 N 4.3138 8.4289 117.8340 56.5008 38.5478 177.5105 17 Q 3.9589 8.1791 119.2251 58.9134 28.7914 178.3551 18 Q 3.9404 7.9209 120.3735 59.3959 29.2102 178.1953 19 E 4.0364 8.5040 122.6130 59.5854 29.6367 179.5387 20 K 4.0661 7.9418 123.4136 59.4480 31.9180 181.9497 21 N 4.4883 8.2493 117.9176 56.2999 38.5328 177.1729 22 E 3.9447 8.5662 120.9915 59.1871 29.6429 178.5905 23 Q 3.9774 7.8758 117.9410 59.0668 28.7190 178.3733 24 E 3.8995 8.0745 119.7975 59.4292 29.5287 178.7661 25 L 3.9854 8.0093 118.7406 58.1303 41.9223 179.7507 26 L 4.1154 8.1045 118.3053 57.5842 41.5024 179.0914 27 E 3.9774 8.3651 119.0673 59.3502 29.3387 178.9303 28 L 3.9014 7.7649 120.1141 58.5269 42.2992 178.9225 29 D 4.3965 7.9591 117.6156 57.0277 41.2676 177.8186 30 K 3.9047 8.0397 119.8266 59.5237 32.2142 178.2362 31 W 4.0213 8.3501 127.9219 60.4130 30.6172 177.3339 32 A 4.3396 8.9910 120.9549 55.9922 17.6337 179.9150 33 S 4.1927 8.5828 112.4156 61.3615 63.0637 176.4792 34 L 4.1216 7.8423 123.0156 57.6907 41.5496 178.2743 35 W 3.9976 8.1996 128.8842 60.8392 30.5241 177.4336 36 N 3.7308 8.7478 116.2962 55.5964 38.1366 176.4106 37 W 3.9013 7.6103 128.9226 59.8189 30.6772 176.7975 38 F 4.5215 7.3854 114.5822 57.5091 39.0042 175.5345 39 N 4.3468 7.4680 121.2850 53.2923 39.4299 174.0194 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 8.28 3.14 0.00 2.66 2.91 0.00 0.00 6.61 6.03 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 2 N 7.47 3.96 0.00 2.59 2.60 0.00 0.00 7.14 6.67 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 3 Y 8.19 4.33 0.00 3.12 3.03 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 0.00 0.00 0.00 4 T 7.82 3.93 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 5 S 7.98 4.13 0.00 3.87 4.14 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 6 L 7.94 4.04 0.00 1.99 1.75 1.00 0.78 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 7 I 8.24 3.72 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.94 0.00 0.00 8 H 8.18 4.21 0.00 3.25 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.80 4.06 0.00 3.98 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 10 L 8.26 4.01 0.00 1.84 1.73 0.94 0.86 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 11 I 7.69 3.74 2.01 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 1.08 0.91 0.00 0.00 12 E 8.12 3.91 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 2.28 2.27 0.00 13 E 8.23 3.86 0.00 2.18 1.92 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 2.30 2.35 0.00 14 S 8.04 4.10 0.00 4.05 4.03 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 0.00 0.00 0.00 15 Q 8.21 3.99 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 16 N 8.43 4.31 0.00 2.96 2.87 0.00 0.00 7.06 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 Q 8.18 3.96 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 18 Q 7.92 3.94 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 19 E 8.50 4.04 0.00 2.04 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 0.00 2.31 2.47 0.00 20 K 7.94 4.07 0.00 1.82 1.79 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.34 7.81 21 N 8.25 4.49 0.00 2.85 2.89 0.00 0.00 6.67 7.24 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 22 E 8.57 3.94 0.00 2.01 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 2.36 0.00 23 Q 7.88 3.98 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 24 E 8.07 3.90 0.00 2.05 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 2.29 2.34 0.00 25 L 8.01 3.99 0.00 1.88 1.73 0.92 0.50 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 26 L 8.10 4.12 0.00 1.87 1.75 0.99 0.84 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 27 E 8.37 3.98 0.00 2.25 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 2.34 2.40 0.00 28 L 7.76 3.90 0.00 1.69 1.92 0.84 1.31 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 29 D 7.96 4.40 0.00 2.85 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 30 K 8.04 3.90 0.00 2.24 1.98 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 W 8.35 4.02 0.00 3.55 3.38 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 32 A 8.99 4.34 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 0.00 0.00 0.00 0.00 0.00 33 S 8.58 4.19 0.00 4.02 4.03 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 0.00 0.00 0.00 34 L 7.84 4.12 0.00 1.89 1.53 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.20 4.00 0.00 2.51 3.34 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 36 N 8.75 3.73 0.00 3.19 2.82 0.00 0.00 6.89 8.81 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 37 W 7.61 3.90 0.00 3.24 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 38 F 7.39 4.52 0.00 2.79 2.95 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 0.00 0.00 0.00 39 N 7.47 4.35 0.00 1.48 2.17 0.00 0.00 6.79 7.70 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