NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5330 8.3349 116.8079 58.0892 64.4998 173.4885 8 D 4.5928 8.6100 124.7957 52.8372 42.0149 174.2515 9 F 5.3539 8.0486 115.0275 55.1880 42.3417 173.5315 10 V 4.4883 8.8412 118.6355 61.1107 34.7805 174.0854 11 V 4.8598 8.6156 127.4374 61.6106 33.6096 174.5191 12 I 4.9545 8.9470 128.1435 59.5271 40.8290 174.0205 13 K 4.9703 8.9989 129.0626 54.2750 34.4532 174.9216 14 A 4.4345 8.8284 130.4433 52.1154 19.0133 177.4982 15 L 4.5576 8.9792 122.9976 55.1575 42.4997 176.0382 16 E 4.6389 7.6421 115.5828 54.9910 32.3083 174.2745 17 D 4.4501 8.3741 118.9079 55.6005 41.2652 177.0233 18 G 3.8837 8.6094 109.8591 45.8736 0.0000 174.1364 19 V 3.9509 7.5131 119.4792 62.8718 33.0588 174.5828 20 N 5.3541 9.1357 123.8559 51.4629 41.7290 173.4792 21 V 4.5604 8.6167 124.5157 61.5041 33.2664 174.2713 22 I 4.6441 8.7300 129.9754 59.3740 39.8685 174.9275 23 G 4.2998 8.5541 113.8217 44.6227 0.0000 172.4366 24 L 5.5094 8.8311 125.3510 52.9324 44.2840 176.2282 25 T 4.5236 8.7067 113.8236 62.0018 69.0857 174.2110 26 R 4.2534 8.0014 126.4049 56.6695 30.8151 174.7129 27 G 3.7135 8.7828 108.7355 43.9416 0.0000 174.1140 28 A 3.7920 8.5541 120.9668 53.8511 18.6578 177.4092 29 D 4.9107 7.3346 115.3057 52.7955 42.7657 176.0890 30 T 4.7571 8.2818 119.1707 62.1068 70.7745 173.2922 31 R 4.6457 8.6607 121.9824 54.7659 33.6379 174.1086 32 F 5.2063 8.6692 119.2730 57.9909 38.8944 175.2562 33 H 4.9469 8.9634 118.9419 56.4265 30.4576 174.3330 34 H 4.6816 7.5778 117.0930 55.0545 33.2774 172.1717 35 S 4.8291 8.1227 119.1034 56.5056 64.8709 172.4350 36 E 4.4891 8.9294 129.7848 54.4857 30.9764 174.6093 37 K 4.6672 8.6477 129.3272 55.9801 33.4223 175.5812 38 L 4.9569 9.1309 127.9853 53.2001 44.2607 176.0137 39 D 5.0361 9.5765 123.9504 52.3848 43.3145 176.0053 40 K 4.0337 8.2337 121.2001 58.6747 32.3038 176.8960 41 G 4.0308 9.0445 115.6340 45.1667 0.0000 173.5553 42 E 4.2293 8.1706 119.5938 56.2869 30.7650 176.0598 43 V 4.9093 8.2967 122.2235 60.9915 34.2323 174.2401 44 L 4.7435 9.0359 129.5996 53.2769 44.9521 174.8350 45 I 4.9162 8.4742 126.6234 59.7347 38.6910 174.7757 46 A 4.7196 8.8395 129.0081 50.1603 22.0116 175.0598 47 Q 4.8972 8.5698 120.5070 54.4141 31.0774 175.4421 48 F 4.6373 8.4912 120.6151 57.6908 39.8239 175.2532 49 T 4.7518 8.6654 112.0653 59.6282 71.9953 173.1536 50 E 3.9751 8.9048 121.1153 59.3300 29.5661 177.1857 51 H 4.6549 8.0534 113.5865 56.1188 29.9641 174.0044 52 T 5.5058 8.3752 116.5823 60.8126 70.8778 174.1813 53 S 4.9419 8.6831 119.8819 57.7055 64.7428 173.1616 54 A 4.8346 7.7642 119.9966 51.5622 22.2982 175.6134 55 I 5.0350 8.6207 120.7588 59.3724 41.0372 174.6719 56 K 4.5997 9.0420 127.8618 54.4625 34.9615 174.6435 57 V 4.8791 8.3914 126.3066 61.0356 34.0756 174.3731 58 R 4.4600 8.9895 127.5625 55.4744 33.0224 174.2588 59 G 3.9115 9.0230 111.1159 43.8221 0.0000 172.2744 60 K 4.5860 9.0612 120.2276 55.9092 32.8564 175.6498 61 A 5.1163 8.7662 128.2724 50.8507 23.4798 173.6748 62 Y 4.7695 8.9743 121.2786 56.3910 40.7386 174.4696 63 I 5.0331 8.4136 127.2352 59.5809 40.8399 174.3092 64 Q 5.1065 9.0463 125.6798 54.3891 31.6637 174.9020 65 T 4.6619 8.5410 112.7428 59.4596 72.4928 174.6424 66 R 3.9454 8.5330 120.8386 59.7439 29.8660 176.5428 67 H 4.5482 7.8222 112.5182 55.7213 29.1698 174.2076 68 G 3.7588 8.2631 106.5779 43.9633 0.0000 172.9027 69 V 4.5306 7.9096 111.5129 60.6653 32.7995 175.8535 70 I 4.5840 8.4266 123.2195 59.4643 41.9964 173.2068 71 E 5.1526 8.5944 126.4139 54.5176 31.9487 175.8438 72 S 4.6636 8.6782 119.1611 57.6705 65.2975 172.8944 73 E 4.9129 8.5436 120.2489 54.5725 32.6093 176.3160 74 G 3.7610 8.6097 112.9146 45.1567 0.0000 173.4834 75 K 4.1594 8.5359 119.0794 56.4700 32.7678 175.7302 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 7 S 8.33 4.53 0.00 3.95 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 8 D 8.61 4.59 0.00 2.83 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 9 F 8.05 5.35 0.00 3.04 2.98 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 10 V 8.84 4.49 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.77 0.00 0.00 11 V 8.62 4.86 2.19 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 1.05 0.00 0.00 1.18 0.00 0.00 12 I 8.95 4.95 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 1.11 0.67 0.92 0.00 0.00 13 K 9.00 4.97 0.00 1.85 1.74 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.83 4.43 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 15 L 8.98 4.56 0.00 1.69 1.74 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.64 4.64 0.00 2.03 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 2.19 2.33 0.00 17 D 8.37 4.45 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 3.95 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 0.84 0.00 0.00 1.03 0.00 0.00 20 N 9.14 5.35 0.00 2.57 2.58 0.00 0.00 6.54 8.32 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 21 V 8.62 4.56 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.73 4.64 1.57 0.00 0.00 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 0.86 0.45 -0.11 0.00 0.00 23 G 8.55 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 0.00 0.00 0.00 0.00 24 L 8.83 5.51 0.00 1.84 1.72 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.71 4.52 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 1.33 0.00 0.00 26 R 8.00 4.25 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.78 3.71 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 0.00 0.00 0.00 28 A 8.55 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.33 4.91 0.00 2.52 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.76 4.26 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 1.28 0.00 0.00 31 R 8.66 4.65 0.00 1.85 1.95 0.00 2.77 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 32 F 8.67 5.21 0.00 2.89 2.90 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 33 H 8.96 4.95 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.58 4.68 0.00 3.29 3.01 0.00 5.80 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 35 S 8.12 4.83 0.00 3.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.49 0.00 2.23 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 37 K 8.65 4.67 0.00 1.79 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.46 7.81 38 L 9.13 4.96 0.00 1.55 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.58 5.04 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.23 4.03 0.00 1.68 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.23 0.00 2.03 1.87 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 2.32 2.34 0.00 43 V 8.30 4.91 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 0.85 0.00 0.00 0.93 0.00 0.00 44 L 9.04 4.74 0.00 1.74 1.45 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.92 1.77 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 1.22 0.62 0.70 0.00 0.00 46 A 8.84 4.72 1.13 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 0.00 0.00 47 Q 8.57 4.90 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 48 F 8.49 4.64 0.00 3.01 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 49 T 8.67 4.75 4.27 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 1.27 0.00 0.00 50 E 8.90 3.98 0.00 1.88 1.84 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 2.13 2.28 0.00 51 H 8.05 4.65 0.00 3.18 3.22 0.00 5.61 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 52 T 8.38 5.51 4.35 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 1.34 0.00 0.00 53 S 8.68 4.94 0.00 3.82 4.07 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 54 A 7.76 4.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 5.04 1.89 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.84 0.00 0.00 56 K 9.04 4.60 0.00 1.71 1.39 0.00 1.60 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.32 7.81 57 V 8.39 4.88 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.99 4.46 0.00 1.85 1.68 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.02 3.91 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 0.00 0.00 0.00 60 K 9.06 4.59 0.00 1.88 1.73 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 A 8.77 5.12 1.28 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 0.00 0.00 0.00 0.00 0.00 62 Y 8.97 4.77 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.41 5.03 1.96 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 1.22 0.55 0.87 0.00 0.00 64 Q 9.05 5.11 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 65 T 8.54 4.66 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 1.16 0.00 0.00 66 R 8.53 3.95 0.00 1.75 1.79 0.00 3.20 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 67 H 7.82 4.55 0.00 3.18 3.26 0.00 5.68 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 68 G 8.26 3.76 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 0.00 0.00 0.00 69 V 7.91 4.53 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.87 0.00 0.00 70 I 8.43 4.58 1.80 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 1.18 1.49 0.85 0.00 0.00 71 E 8.59 5.15 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 72 S 8.68 4.66 0.00 3.96 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 73 E 8.54 4.91 0.00 1.82 1.85 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 2.20 2.27 0.00 74 G 8.61 3.76 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 0.00 0.00 0.00 75 K 8.54 4.16 0.00 1.84 2.04 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.39 7.81