NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6729 8.2785 118.1255 52.8630 40.7454 175.6256 4 A 3.8073 8.1837 123.4849 54.3966 18.0844 178.7968 5 K 3.8381 8.3475 119.5220 59.6382 32.7843 177.0540 6 A 3.9791 7.9617 120.5361 55.3559 18.3527 179.1610 7 D 4.2872 8.2488 117.3792 57.4817 40.7995 178.8264 8 Q 3.9416 8.3240 119.9306 59.0899 28.9950 178.1080 9 A 3.9736 8.2596 122.0838 55.2117 18.4183 179.5607 10 S 4.0192 8.4171 112.0011 61.6149 62.4611 176.6203 11 S 4.1287 8.1733 117.8362 61.7292 62.5810 176.3888 12 D 4.3574 8.4958 121.7563 57.2985 40.4694 178.7535 13 A 3.9969 8.3220 121.5972 55.1011 18.3308 179.4477 14 Q 3.9094 8.2547 118.1400 59.5618 29.0409 178.5822 15 T 3.8316 7.9675 116.5506 66.6346 68.4314 176.4432 16 A 3.9579 7.9918 122.6094 55.0224 18.4251 179.0809 17 N 4.1835 8.5456 115.7590 56.8865 39.0556 176.9108 18 A 3.9938 8.1335 122.1308 55.1172 18.4000 179.5555 19 K 3.9168 8.3912 118.1409 59.4706 32.1502 178.9515 20 A 3.9813 8.3354 121.4945 55.1672 18.2975 179.3575 21 D 4.2739 8.2077 117.4813 57.5545 40.8345 178.8325 22 Q 3.9600 8.2133 119.9267 59.0271 28.9878 177.9991 23 A 4.0190 8.2981 122.1327 55.2237 18.4093 179.8233 24 S 4.0766 8.3710 113.9096 61.7606 62.8872 176.6069 25 N 4.3465 8.2516 119.1430 56.5493 38.2460 177.2464 26 D 4.3466 8.5729 120.4319 57.1651 40.7815 178.6625 27 A 3.9684 8.3915 121.8162 55.1721 18.3371 179.2217 28 N 4.2100 8.3410 115.3507 56.6709 39.0477 176.8830 29 A 3.9597 8.2071 122.0614 55.2081 18.3879 179.5292 30 A 3.9531 8.2496 119.3761 55.1952 18.4589 179.7953 31 R 3.8191 8.2674 117.5456 59.5134 30.1203 178.7212 32 S 4.0784 8.2703 112.9945 61.6316 62.4020 175.9494 33 D 4.3694 8.2243 121.3386 57.2440 40.4201 178.6766 34 A 3.9794 8.4025 121.8540 55.0651 18.3401 179.4605 35 Q 3.8760 8.2916 117.9715 59.2169 29.1447 178.3506 36 A 3.9678 8.1003 121.6620 55.0771 18.3369 179.5125 37 A 3.9377 8.2255 119.4526 55.0009 18.4540 179.6457 38 K 3.8222 8.3455 118.5229 59.9581 32.2781 178.7622 39 D 4.3551 8.2374 119.0823 57.4222 40.7066 178.3306 40 D 4.3178 8.3207 118.3976 57.0962 41.1879 178.1343 41 A 3.9954 8.3757 121.5872 55.0462 18.3796 179.5023 42 A 3.9905 8.0597 119.3598 55.1275 18.3543 179.9609 43 R 3.8639 8.2035 116.5913 59.3548 30.1605 179.0579 44 A 3.9708 7.9764 120.3714 55.3876 18.3801 179.4627 45 N 4.3192 8.1631 114.9845 56.4082 38.4785 177.6969 46 Q 3.9749 8.0593 119.4141 59.1272 28.9958 179.0529 47 R 3.9059 8.1904 118.8614 59.2478 30.0251 179.0542 48 A 4.0132 8.0759 120.4825 55.3289 18.1679 179.5005 49 D 4.3461 8.1434 116.5546 57.4940 40.9714 178.4988 50 N 4.4493 8.4726 116.4071 55.6925 38.5803 176.5230 51 A 4.3268 7.6334 119.9021 53.1577 19.2675 177.5248 52 A 4.2424 7.6210 123.4675 52.4070 18.6816 177.0455 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 N 8.28 4.67 0.00 2.77 2.89 0.00 0.00 6.87 6.20 0.00 0.00 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 A 8.18 3.81 1.34 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 0.00 0.00 5 K 8.35 3.84 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 6 A 7.96 3.98 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 7 D 8.25 4.29 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.94 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 9 A 8.26 3.97 1.38 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 0.00 0.00 10 S 8.42 4.02 0.00 3.88 4.11 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 0.00 0.00 0.00 0.00 11 S 8.17 4.13 0.00 4.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.36 0.00 2.83 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 13 A 8.32 4.00 1.38 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 0.00 0.00 14 Q 8.25 3.91 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 15 T 7.97 3.83 4.42 0.00 0.00 0.00 0.00 0.00 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 16 A 7.99 3.96 1.36 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 0.00 0.00 0.00 17 N 8.55 4.18 0.00 2.88 2.94 0.00 0.00 7.13 7.44 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 18 A 8.13 3.99 1.36 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 0.00 0.00 0.00 19 K 8.39 3.92 0.00 1.94 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 20 A 8.34 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.27 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 3.96 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 23 A 8.30 4.02 1.36 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 0.00 0.00 0.00 24 S 8.37 4.08 0.00 4.08 3.92 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 0.00 0.00 0.00 25 N 8.25 4.35 0.00 2.89 2.86 0.00 0.00 7.06 7.42 0.00 0.00 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 D 8.57 4.35 0.00 2.83 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 27 A 8.39 3.97 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 28 N 8.34 4.21 0.00 2.78 2.94 0.00 0.00 7.12 7.07 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 29 A 8.21 3.96 1.36 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 0.00 0.00 0.00 30 A 8.25 3.95 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 31 R 8.27 3.82 0.00 1.95 2.11 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 S 8.27 4.08 0.00 3.92 4.01 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 0.00 0.00 0.00 33 D 8.22 4.37 0.00 2.88 2.70 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 0.00 0.00 0.00 0.00 34 A 8.40 3.98 1.36 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 0.00 0.00 0.00 35 Q 8.29 3.88 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.10 3.97 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 A 8.23 3.94 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 38 K 8.35 3.82 0.00 1.87 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 39 D 8.24 4.36 0.00 2.88 2.70 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 0.00 0.00 0.00 0.00 40 D 8.32 4.32 0.00 2.95 2.66 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 0.00 0.00 0.00 0.00 41 A 8.38 4.00 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 42 A 8.06 3.99 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 43 R 8.20 3.86 0.00 2.06 2.00 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 44 A 7.98 3.97 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 45 N 8.16 4.32 0.00 2.76 2.88 0.00 0.00 7.10 8.17 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 46 Q 8.06 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 47 R 8.19 3.91 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 48 A 8.08 4.01 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 49 D 8.14 4.35 0.00 2.66 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 50 N 8.47 4.45 0.00 2.67 2.88 0.00 0.00 6.97 7.01 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 51 A 7.63 4.33 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 52 A 7.62 4.24 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