NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2731 8.1593 115.2446 62.1532 68.4395 172.7074 4 T 4.4623 8.2960 117.1692 59.5616 71.6295 171.6554 5 T 4.4752 8.1883 118.5139 61.9648 71.2368 175.2208 6 M 4.5498 8.5320 123.7169 53.4111 33.6645 175.2123 7 G 3.9906 8.2906 108.2513 43.9599 0.0000 173.4008 8 V 4.2556 8.1212 122.7423 60.8521 33.2234 174.8537 9 M 4.3290 8.5495 127.5238 54.7991 32.6406 175.7750 10 L 4.7354 8.2125 122.9021 52.1176 45.1363 176.8641 11 D 4.6159 8.4705 123.4095 53.0966 41.6773 177.0826 12 D 4.2988 8.6060 120.3701 57.3373 40.9758 178.7804 13 A 3.9909 7.9958 120.8243 55.7172 18.3445 179.7411 14 T 3.8455 8.7369 114.4631 66.6571 68.5246 176.9825 15 R 3.8678 8.2408 120.8849 59.6054 30.1059 178.4887 16 E 4.0154 8.3928 118.3622 59.2413 29.2943 179.3197 17 R 3.9669 7.8547 118.5533 59.0962 30.1304 178.5285 18 I 3.6959 7.9818 119.9195 64.3557 37.1838 178.2862 19 K 3.9746 8.0858 120.3704 59.4631 31.9753 178.8296 20 S 4.0439 8.1981 113.2091 61.3066 62.2644 175.9247 21 A 3.9880 8.3234 123.5926 55.1410 18.1468 179.4583 22 A 3.9863 8.5016 119.6832 55.7188 18.4176 180.0465 23 T 3.8999 7.9984 114.2781 66.6375 68.2350 176.8694 24 R 3.9463 8.0442 120.2704 58.6506 30.1094 177.6247 25 I 4.1594 7.1588 110.1322 59.5302 38.3219 174.7852 26 D 4.2503 7.7170 117.3856 56.0007 39.8553 172.4291 27 R 4.4469 8.1814 116.5807 53.9603 34.2177 175.2057 28 T 4.7162 8.0184 107.5903 59.4119 72.6340 172.8680 29 P 4.3040 0.0000 0.0000 66.4368 31.4567 178.5771 30 H 4.2611 8.2187 114.1747 58.5264 28.5952 177.3344 31 W 4.1184 8.1219 130.2800 60.5671 30.4754 177.7892 32 L 4.1266 8.3221 120.1471 58.2696 41.5690 178.9738 33 I 3.7006 8.2001 120.1703 64.2801 36.9513 178.6060 34 K 3.9562 7.9187 119.0391 59.3591 31.8036 179.0473 35 Q 3.7139 7.8791 119.6940 59.0495 28.7956 178.2287 36 A 3.9813 8.1574 121.9171 55.3346 18.4297 179.6907 37 I 3.5987 7.6769 118.0290 64.5537 37.2020 178.7758 38 F 4.0387 8.3340 119.0844 60.5210 38.6999 177.9458 39 S 4.2013 8.4571 114.2002 61.6708 62.7207 175.8886 40 Y 4.2218 8.3127 123.3038 60.3286 38.4387 178.0182 41 L 3.8275 8.1305 119.9548 57.6389 41.6853 179.1950 42 E 3.9128 8.2237 118.4692 59.4789 29.4822 178.8477 43 Q 3.9094 8.1441 119.6457 59.4090 28.7679 178.8548 44 L 3.7533 7.4571 117.9933 57.8229 41.7561 178.8164 45 E 4.0683 8.0398 117.3010 59.8423 29.5453 179.0415 46 N 4.4421 8.5737 115.3848 55.9042 38.6606 175.8170 47 S 4.4566 7.9148 119.1179 58.5787 63.5977 173.8161 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 3 T 8.16 4.27 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 1.22 0.00 0.00 4 T 8.30 4.46 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 T 8.19 4.48 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 6 M 8.53 4.55 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 7 G 8.29 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 8 V 8.12 4.26 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 0.85 0.00 0.00 0.91 0.00 0.00 9 M 8.55 4.33 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 10 L 8.21 4.74 0.00 1.56 1.52 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.62 0.00 2.86 2.78 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 12 D 8.61 4.30 0.00 2.70 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 13 A 8.00 3.99 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 14 T 8.74 3.85 4.34 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 1.20 0.00 0.00 15 R 8.24 3.87 0.00 1.86 2.05 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 E 8.39 4.02 0.00 2.21 1.98 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 2.33 2.48 0.00 17 R 7.85 3.97 0.00 2.05 2.06 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 18 I 7.98 3.70 2.03 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 0.52 0.94 0.00 0.00 19 K 8.09 3.97 0.00 2.02 1.95 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.32 7.81 20 S 8.20 4.04 0.00 3.95 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 21 A 8.32 3.99 1.44 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 22 A 8.50 3.99 1.45 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 23 T 8.00 3.90 4.36 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 1.19 0.00 0.00 24 R 8.04 3.95 0.00 2.19 2.15 0.00 3.36 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 25 I 7.16 4.16 1.75 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.50 0.91 0.00 0.00 26 D 7.72 4.25 0.00 2.68 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 27 R 8.18 4.45 0.00 1.32 1.29 0.00 2.21 0.00 0.00 2.66 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 28 T 8.02 4.72 4.30 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 1.23 0.00 0.00 29 P 0.00 4.30 0.00 2.11 2.15 0.00 3.62 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 2.10 2.21 0.00 30 H 8.22 4.26 0.00 3.28 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.12 4.12 0.00 3.38 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 32 L 8.32 4.13 0.00 2.16 1.98 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.20 3.70 1.90 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 1.52 0.81 0.90 0.00 0.00 34 K 7.92 3.96 0.00 1.84 1.96 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.63 7.81 35 Q 7.88 3.71 0.00 1.32 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.84 2.23 0.00 36 A 8.16 3.98 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 37 I 7.68 3.60 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.59 0.00 0.00 38 F 8.33 4.04 0.00 3.23 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 39 S 8.46 4.20 0.00 4.08 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 40 Y 8.31 4.22 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.83 0.00 1.89 1.82 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.22 3.91 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 43 Q 8.14 3.91 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 44 L 7.46 3.75 0.00 1.58 1.52 0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.04 4.07 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 46 N 8.57 4.44 0.00 2.77 2.87 0.00 0.00 7.09 8.09 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 47 S 7.91 4.46 0.00 4.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00