NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1484 8.2549 117.2613 54.8455 31.1024 175.1822 2 P 4.0719 0.0000 0.0000 62.1475 32.0253 176.2066 3 D 4.3929 8.3957 121.2030 57.1881 41.7445 178.5805 4 F 4.4816 7.9385 114.3762 59.3950 37.7553 177.5617 5 C 4.6889 7.4484 115.9801 58.8374 40.0583 174.6102 6 L 4.2597 7.6784 119.6025 54.3037 42.0954 176.6696 7 E 4.2889 7.4760 116.9497 54.9832 30.5011 175.1356 8 P 4.3802 0.0000 0.0000 61.3630 32.1417 174.6935 9 P 3.5759 0.0000 0.0000 62.6449 31.4362 175.2543 10 Y 4.6120 7.7182 121.5199 56.0514 40.4529 175.3517 11 T 4.2111 8.2833 125.2233 65.2158 68.8701 176.1605 12 G 3.7801 6.8471 104.5291 44.1097 0.0000 171.3410 13 P 4.3295 0.0000 0.0000 64.5341 31.4599 177.7203 14 C 4.4714 7.7206 116.9235 56.7801 40.7550 173.9546 15 K 4.1370 8.3059 119.7329 56.7771 32.3778 177.2015 16 A 4.1750 7.8861 122.1390 51.7036 19.8313 177.1263 17 R 4.5296 8.2413 118.0007 54.1050 29.9811 174.1327 18 I 4.4336 8.2033 122.2658 59.2916 40.0685 175.0857 19 I 4.2939 8.1732 127.4577 61.0957 38.0486 175.3034 20 R 4.5330 8.2553 124.3394 54.6417 35.1002 173.3829 21 Y 5.7491 9.1676 117.5401 56.5339 41.2861 175.2939 22 F 5.7817 9.3754 116.6655 55.4795 42.4574 172.7376 23 Y 4.4607 9.8757 122.5143 56.9504 40.1978 174.0829 24 N 4.7500 8.1978 126.1777 51.5709 38.3901 174.7724 25 A 3.7972 8.4617 129.1845 55.0520 18.8285 178.8297 26 K 3.9987 8.0810 115.1021 59.6099 32.3755 178.1147 27 A 3.9309 7.7732 119.5625 53.2447 18.4398 178.1418 28 G 3.8728 8.9003 103.5706 45.2511 0.0000 172.7134 29 L 4.5922 6.7705 118.2499 54.5382 44.0239 174.5395 30 C 4.9477 8.5709 116.7798 56.5094 41.9898 173.2142 31 Q 4.8554 8.4176 121.0062 54.2123 33.0988 174.4830 32 T 5.0767 8.5435 110.5798 61.5343 70.7238 173.6550 33 F 4.9960 8.7129 116.4459 56.1872 41.9598 172.8295 34 V 4.4534 8.4692 119.8247 61.7823 32.5038 174.1312 35 Y 4.8146 8.8686 130.2059 56.2280 40.2003 176.5831 36 G 3.7997 8.2905 113.7558 46.5583 0.0000 175.0327 37 G 3.8355 6.3118 106.4696 45.3620 0.0000 172.1323 38 C 4.8828 7.0680 112.1254 54.6638 44.6183 173.0257 39 R 3.7912 8.7563 115.7512 57.1035 27.2074 176.9692 40 A 4.3441 8.2730 118.6163 52.4081 19.1726 178.0739 41 K 4.4116 8.2288 120.1779 54.6464 34.0656 177.3840 42 R 3.4821 8.1836 118.5596 58.9651 30.3690 177.7206 43 N 4.8429 7.8720 118.0988 51.4774 37.3458 174.3698 44 N 5.1604 6.9133 116.5854 52.5915 41.7474 173.1040 45 F 4.9766 9.5668 125.2388 55.4921 42.0527 176.6104 46 K 4.0872 9.0134 125.9504 58.1945 32.8123 177.2702 47 S 4.8198 8.0512 112.5803 56.0142 65.4543 174.4611 48 A 3.4021 7.9726 130.2106 54.5748 18.1571 179.3641 49 E 3.7159 7.6891 118.3099 59.6733 29.7201 178.8218 50 D 4.3097 7.9505 118.3571 57.3012 40.8497 179.1911 51 C 2.5131 7.4972 118.4331 59.4072 41.7066 175.5982 52 M 3.8754 7.6593 120.2667 58.2792 31.2814 178.8362 53 R 3.8016 7.4632 117.5887 59.6175 30.3515 178.4706 54 T 3.9931 7.6720 114.4492 66.4064 68.6391 175.4483 55 C 4.3400 7.7306 115.7934 57.0993 41.2831 174.1778 56 G 3.6086 7.8121 114.2302 45.5583 0.0000 173.2549 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 R 8.25 4.15 0.00 1.63 1.79 0.00 2.94 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 2 P 0.00 4.07 0.00 1.01 1.64 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 3 D 8.40 4.39 0.00 2.78 2.74 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 4 F 7.94 4.48 0.00 3.41 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.45 4.69 0.00 2.96 3.13 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 6 L 7.68 4.26 0.00 1.77 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.48 4.29 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.33 0.00 8 P 0.00 4.38 0.00 1.99 1.94 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 P 0.00 3.58 0.00 0.78 0.49 0.00 3.26 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.00 10 Y 7.72 4.61 0.00 2.76 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 11 T 8.28 4.21 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 1.20 0.00 0.00 12 G 6.85 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 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.17 2.19 0.00 3.77 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 1.97 2.02 0.00 14 C 7.72 4.47 0.00 2.78 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 15 K 8.31 4.14 0.00 1.69 1.79 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 16 A 7.89 4.17 1.18 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 0.00 0.00 17 R 8.24 4.53 0.00 1.60 1.81 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 18 I 8.20 4.43 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.03 0.91 0.00 0.00 19 I 8.17 4.29 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.57 0.00 0.00 20 R 8.26 4.53 0.00 0.67 1.57 0.00 3.28 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 21 Y 9.17 5.75 0.00 3.10 2.96 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 22 F 9.38 5.78 0.00 3.17 3.12 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 23 Y 9.88 4.46 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 24 N 8.20 4.75 0.00 2.38 2.50 0.00 0.00 6.66 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.46 3.80 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 26 K 8.08 4.00 0.00 1.72 1.82 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 7.77 3.93 1.19 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 28 G 8.90 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.77 4.59 0.00 1.67 1.71 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.57 4.95 0.00 2.83 3.08 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 0.00 0.00 0.00 31 Q 8.42 4.86 0.00 1.40 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 32 T 8.54 5.08 4.16 0.00 0.00 0.00 0.00 0.00 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 33 F 8.71 5.00 0.00 3.05 3.27 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 34 V 8.47 4.45 2.10 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.87 4.81 0.00 2.55 2.71 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 0.00 0.00 0.00 0.00 36 G 8.29 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 0.00 0.00 0.00 37 G 6.31 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 0.00 0.00 0.00 38 C 7.07 4.88 0.00 3.05 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 39 R 8.76 3.79 0.00 2.41 2.23 0.00 3.33 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 8.27 4.34 1.10 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 0.00 0.00 41 K 8.23 4.41 0.00 1.74 1.88 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.13 7.81 42 R 8.18 3.48 0.00 1.24 0.66 0.00 2.21 0.00 0.00 2.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 43 N 7.87 4.84 0.00 3.22 2.88 0.00 0.00 6.91 7.13 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 44 N 6.91 5.16 0.00 2.68 2.55 0.00 0.00 7.09 7.02 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 45 F 9.57 4.98 0.00 3.35 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 46 K 9.01 4.09 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.05 4.82 0.00 3.94 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 48 A 7.97 3.40 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 3.72 0.00 1.92 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 2.25 2.29 0.00 50 D 7.95 4.31 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.50 2.51 0.00 2.67 2.96 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 52 M 7.66 3.88 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 53 R 7.46 3.80 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 54 T 7.67 3.99 4.15 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 1.53 0.00 0.00 55 C 7.73 4.34 0.00 2.47 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 56 G 7.81 3.61 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 0.00