NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2275 8.2649 123.5781 52.1378 19.7976 178.1030 3 K 4.1658 7.4522 125.7968 53.4835 30.8669 174.7950 4 H 3.9400 7.4632 118.0306 57.7057 30.5740 173.0807 5 P 4.9031 0.0000 0.0000 60.9272 33.0511 174.7202 6 V 4.4647 8.0895 121.0202 60.5520 34.6827 171.7664 7 P 4.2245 0.0000 0.0000 61.2485 33.1636 177.0360 8 K 4.5696 8.0834 117.9258 52.7486 33.7446 172.8953 9 K 3.7967 8.5778 115.2069 54.0634 33.0197 174.9659 10 K 3.6994 8.7912 126.2971 56.9499 31.9952 175.8439 11 T 3.8288 8.2018 122.7946 63.7752 69.2175 174.0425 12 S 4.3995 8.3608 118.6722 56.7910 62.1420 177.0133 13 K 4.1071 8.3162 122.9875 54.0371 36.2074 179.1563 14 S 4.0025 7.8619 106.5375 57.4499 69.3185 177.1159 15 K 4.0330 9.0903 112.9680 55.3656 32.4318 179.1990 16 R 2.9392 8.4876 112.1904 55.5407 31.1293 178.1078 17 D 4.3827 6.6036 123.5577 58.7906 40.6485 178.5801 18 M 3.9119 9.0313 119.3354 57.2142 31.9317 179.1488 19 R 3.3442 8.7753 108.8199 58.8157 30.9125 178.3236 20 R 3.3674 8.5319 117.3965 57.8089 31.6326 174.3816 21 S 4.2856 12.0000 113.7531 61.6521 63.5953 175.9803 22 H 4.1008 7.5216 120.7039 58.3004 29.6268 174.8381 23 H 4.3783 8.0184 115.2292 54.8990 29.1298 174.0957 24 A 4.8606 7.6790 126.7520 52.0333 20.3195 177.0480 25 L 4.5846 7.4469 120.5411 55.9218 43.9468 176.6734 26 T 4.1068 8.4363 104.9287 61.8560 69.1487 171.7019 27 A 3.8694 8.5013 129.9022 50.6508 19.7109 175.3837 28 P 4.2371 0.0000 0.0000 63.5061 31.3427 177.0310 29 N 4.3459 9.2512 118.7521 55.8636 38.6907 174.0158 30 L 3.6479 6.8732 114.7573 52.3184 45.0585 175.5481 31 T 4.7073 7.5415 117.8021 61.5684 69.5955 174.7845 32 E 4.9923 8.8785 116.5971 54.3599 33.4385 173.4055 33 C 3.7935 9.6499 121.2204 59.0609 28.9080 173.0688 34 P 4.3062 0.0000 0.0000 65.7902 31.5675 177.3127 35 Q 4.3641 7.5049 114.9700 55.9910 33.4794 176.0834 36 C 3.9083 8.1289 114.3182 58.7272 40.3070 171.7317 37 H 3.8248 7.9880 115.9145 58.3883 26.4084 174.7217 38 G 3.8995 7.4621 111.2565 44.1113 0.0000 169.8329 39 K 4.7853 8.1359 119.7761 54.5219 33.8626 175.8215 40 K 4.6490 8.1767 121.8675 54.1428 36.0214 176.3770 41 L 4.2382 8.5256 119.6379 58.8751 39.5132 179.7730 42 S 3.6883 7.6744 105.6959 61.9668 61.2974 171.9349 43 H 4.4635 8.5105 125.1919 56.4403 26.7800 174.9319 44 H 6.3000 7.8486 115.7706 52.8030 32.9217 175.2068 45 I 3.7493 8.9518 114.6585 63.0327 38.2202 174.4594 46 C 5.0117 8.4518 117.8394 59.5171 30.4059 172.5547 47 P 4.3706 0.0000 0.0000 64.3530 30.5604 176.4742 48 N 5.0521 7.8643 114.6224 53.4268 42.3415 175.5357 49 C 4.7121 9.4538 110.3691 55.4851 39.8617 175.9785 50 G 4.1499 9.5064 122.0949 47.2218 0.0000 173.5957 51 Y 4.7141 7.6258 119.9681 56.6168 35.6669 175.5962 52 Y 4.2946 10.4637 135.0000 57.9583 35.6793 169.2260 53 D 4.8003 7.6448 118.1957 54.6444 47.3800 176.1652 54 G 4.0767 7.8059 106.6191 43.4268 0.0000 173.8718 55 R 4.2674 8.1420 122.2434 55.8611 28.3449 178.8192 56 Q 4.4443 7.9074 120.6795 52.5149 28.4567 176.7820 57 V 4.3815 7.0224 120.5978 63.4562 37.1226 169.0016 58 L 4.2714 8.3134 122.0460 53.9705 45.1169 175.4093 59 A 4.1183 9.0421 130.4774 52.8083 18.7486 176.9361 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 A 8.26 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.17 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 H 7.46 3.94 0.00 3.12 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.90 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 6 V 8.09 4.46 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 0.83 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.22 0.00 2.09 1.97 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 8 K 8.08 4.57 0.00 1.69 1.70 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.35 1.41 7.81 9 K 8.58 3.80 0.00 1.83 2.01 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.20 7.81 10 K 8.79 3.70 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 11 T 8.20 3.83 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 12 S 8.36 4.40 0.00 3.82 3.74 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 13 K 8.32 4.11 0.00 1.83 1.67 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.41 7.81 14 S 7.86 4.00 0.00 4.10 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 15 K 9.09 4.03 0.00 1.97 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.58 7.81 16 R 8.49 2.94 0.00 1.96 1.75 0.00 3.16 0.00 0.00 3.16 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 17 D 6.60 4.38 0.00 2.73 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 18 M 9.03 3.91 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 19 R 8.78 3.34 0.00 1.87 1.85 0.00 3.12 0.00 0.00 3.10 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 20 R 8.53 3.37 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 21 S 12.00 4.29 0.00 3.88 4.08 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 22 H 7.52 4.10 0.00 3.29 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.02 4.38 0.00 3.21 3.27 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.68 4.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 4.58 0.00 1.65 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.44 4.11 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 27 A 8.50 3.87 1.27 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 0.00 0.00 28 P 0.00 4.24 0.00 2.23 2.23 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 29 N 9.25 4.35 0.00 2.75 2.93 0.00 0.00 7.22 7.85 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 30 L 6.87 3.65 0.00 1.77 2.02 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.54 4.71 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 1.20 0.00 0.00 32 E 8.88 4.99 0.00 1.82 1.76 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 2.20 2.33 0.00 33 C 9.65 3.79 0.00 2.92 2.91 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 34 P 0.00 4.31 0.00 2.10 2.03 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 35 Q 7.50 4.36 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.88 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 36 C 8.13 3.91 0.00 2.90 3.15 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 0.00 37 H 7.99 3.82 0.00 3.32 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.46 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 0.00 0.00 0.00 39 K 8.14 4.79 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.49 7.81 40 K 8.18 4.65 0.00 1.72 1.66 0.00 1.56 0.00 0.00 2.06 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 L 8.53 4.24 0.00 1.72 1.63 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.67 3.69 0.00 4.20 4.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.46 0.00 3.39 3.91 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.85 6.30 0.00 3.16 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.95 3.75 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 1.21 0.00 0.00 46 C 8.45 5.01 0.00 3.09 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 47 P 0.00 4.37 0.00 2.18 2.19 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 48 N 7.86 5.05 0.00 2.65 2.81 0.00 0.00 6.96 7.66 0.00 0.00 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 C 9.45 4.71 0.00 3.02 2.30 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 50 G 9.51 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 0.00 0.00 0.00 0.00 51 Y 7.63 4.71 0.00 2.87 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 0.00 0.00 0.00 0.00 52 Y 10.46 4.29 0.00 3.16 3.30 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 53 D 7.64 4.80 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.81 4.08 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 0.00 0.00 0.00 55 R 8.14 4.27 0.00 1.67 1.83 0.00 3.08 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 56 Q 7.91 4.44 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 57 V 7.02 4.38 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 58 L 8.31 4.27 0.00 1.64 1.08 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.04 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00