NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.9829 8.2993 121.7640 56.6866 31.9370 174.8800 3 T 4.3046 7.8161 113.4864 59.0457 69.8756 171.1613 4 E 4.8687 7.7397 120.0005 55.2097 33.8267 176.2227 5 W 5.2025 8.8502 118.1720 53.3670 29.2576 174.5068 6 P 4.3257 0.0000 0.0000 65.3715 31.5533 178.8620 7 E 4.2241 8.2909 115.4656 57.5376 29.8162 177.5540 8 L 4.4248 8.0766 119.7393 54.6696 42.5574 176.3304 9 V 3.6378 7.2234 119.1166 65.1083 31.4084 176.0417 10 G 3.9933 9.1485 116.0312 45.0489 0.0000 173.0945 11 K 4.4379 7.2302 118.4684 54.9540 33.6970 177.1657 12 S 4.4104 8.4351 116.1205 57.7911 65.0571 175.5802 13 V 3.5727 8.3819 124.1761 66.9148 31.2221 178.3629 14 E 3.9455 8.2070 117.3478 61.4067 29.4806 180.7337 15 E 4.1277 7.9228 119.5812 59.0874 29.4673 179.3984 16 A 3.9170 8.2915 121.1735 55.0370 18.4393 179.7026 17 K 3.7221 8.5885 117.3954 59.6164 32.0237 179.5088 18 K 3.9563 8.1444 119.7643 59.1760 31.9148 179.2197 19 V 3.6838 7.7470 118.6896 66.1194 31.4995 178.1651 20 I 3.4174 7.6722 119.7451 64.2299 36.4009 178.4619 21 L 4.2164 7.8889 119.6828 57.3432 41.1253 179.3498 22 Q 4.0301 7.5210 117.9610 59.1840 29.1469 177.3286 23 D 4.8941 7.9042 118.4104 55.2925 42.2230 176.9551 24 K 4.6060 8.4782 120.9238 54.1351 33.1303 174.0122 25 P 4.4380 0.0000 0.0000 64.1477 31.5903 177.2186 26 E 4.3325 8.0849 113.0157 55.8433 29.9631 176.1918 27 A 3.9352 7.7823 123.3239 52.8681 18.7686 177.6915 28 Q 4.3508 8.4101 121.5577 54.2060 28.9363 175.5000 29 I 3.9885 8.1244 124.9421 60.4379 37.6051 175.7284 30 I 4.2989 8.2292 126.4418 59.2660 39.0261 175.2264 31 V 4.2224 8.3431 125.1031 61.1168 32.1583 174.3840 32 L 4.8949 8.0243 126.2308 51.8937 45.3299 175.0163 33 P 4.3855 0.0000 0.0000 61.9652 32.0135 176.4672 34 V 3.7567 8.1907 122.1257 64.8022 31.7438 176.3560 35 G 3.9716 8.8571 114.3965 45.3755 0.0000 173.5834 36 T 3.9704 7.5042 117.4232 63.2696 68.7802 174.2185 37 I 3.9659 8.3350 127.9514 61.1273 37.7833 176.4377 38 V 3.9936 8.3342 117.8212 61.4547 31.7117 175.6739 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 2 K 8.30 3.98 0.00 1.54 1.69 0.00 0.95 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.47 7.81 3 T 7.82 4.30 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 1.17 0.00 0.00 4 E 7.74 4.87 0.00 2.08 1.90 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 2.04 2.25 0.00 5 W 8.85 5.20 0.00 3.38 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 6 P 0.00 4.33 0.00 2.23 2.33 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 7 E 8.29 4.22 0.00 2.18 2.28 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 2.48 2.36 0.00 8 L 8.08 4.42 0.00 1.89 1.74 0.76 0.65 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 9 V 7.22 3.64 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 0.75 0.00 0.00 1.00 0.00 0.00 10 G 9.15 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 11 K 7.23 4.44 0.00 1.72 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 12 S 8.44 4.41 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.57 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 0.97 0.00 0.00 0.90 0.00 0.00 14 E 8.21 3.95 0.00 2.01 1.96 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 2.32 1.99 0.00 15 E 7.92 4.13 0.00 1.95 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 2.32 2.51 0.00 16 A 8.29 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.72 0.00 1.83 1.82 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.66 7.81 18 K 8.14 3.96 0.00 1.81 2.03 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 19 V 7.75 3.68 2.04 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 1.13 0.00 0.00 1.02 0.00 0.00 20 I 7.67 3.42 1.55 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.46 0.00 0.00 21 L 7.89 4.22 0.00 1.68 1.70 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.52 4.03 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 23 D 7.90 4.89 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.61 0.00 1.98 1.97 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.60 7.81 25 P 0.00 4.44 0.00 2.10 2.12 0.00 3.81 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 26 E 8.08 4.33 0.00 2.08 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 2.26 2.26 0.00 27 A 7.78 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.35 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 29 I 8.12 3.99 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.83 0.00 0.00 30 I 8.23 4.30 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 1.28 0.85 0.90 0.00 0.00 31 V 8.34 4.22 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 0.89 0.00 0.00 32 L 8.02 4.89 0.00 1.61 1.50 0.92 1.10 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 33 P 0.00 4.39 0.00 2.17 1.96 0.00 3.61 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 2.10 2.06 0.00 34 V 8.19 3.76 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 0.77 0.00 0.00 0.93 0.00 0.00 35 G 8.86 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 0.00 0.00 0.00 36 T 7.50 3.97 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 1.21 0.00 0.00 37 I 8.34 3.97 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 1.42 0.47 0.91 0.00 0.00 38 V 8.33 3.99 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 0.69 0.00 0.00 0.94 0.00 0.00