NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4593 8.1927 116.7334 56.9694 64.7736 172.2044 22 S 4.8846 7.6847 116.3940 53.9425 64.6050 171.9343 23 P 4.6179 0.0000 0.0000 62.3168 33.3788 175.4350 24 S 4.4261 8.6177 113.3723 57.4097 64.4104 174.4185 25 E 3.9089 9.5163 127.8865 57.5030 26.3517 176.1812 26 G 3.9490 8.4857 104.0621 45.5195 0.0000 173.2078 27 L 5.0139 7.6989 120.0477 53.1052 44.5582 175.1122 28 C 5.1084 8.8668 121.8009 54.7813 37.3985 171.9790 29 P 2.9700 0.0000 0.0000 60.5525 32.9275 173.5796 30 P 4.2061 0.0000 0.0000 64.4377 31.7287 177.2755 31 G 3.8976 9.7257 110.9244 45.3354 0.0000 172.3656 32 H 5.3672 7.5698 115.4339 54.1573 32.8163 172.5124 33 H 4.9602 8.6065 117.1643 53.7662 31.2127 174.0152 34 I 4.4094 8.3522 120.8184 60.8946 39.5260 175.3092 35 S 4.5235 8.5844 121.8874 57.0380 64.4703 174.9720 36 E 3.9027 8.8365 118.6696 59.0731 29.1955 177.4888 37 D 4.5560 8.0707 116.0805 52.4258 39.8184 176.7753 38 G 3.9263 8.0077 107.0363 46.5119 0.0000 174.6794 39 R 4.5908 7.9654 116.2306 55.6114 32.0334 175.3777 40 D 5.0830 8.0349 117.1686 52.7174 45.6816 173.5208 41 C 5.2418 8.9746 119.3629 55.4523 40.7600 173.3663 42 I 4.5888 8.1892 124.5892 59.1674 39.6443 175.3208 43 S 4.7165 8.5923 120.5622 58.4736 63.0419 174.4685 44 C 4.6745 8.3629 122.8680 56.4522 35.7524 173.4661 45 K 4.2276 9.0146 122.7838 55.9557 32.4904 175.7694 46 Y 4.0972 8.5412 127.1582 59.3353 38.5268 175.6185 47 G 3.7963 7.7363 113.6560 45.1722 0.0000 172.5351 48 Q 4.5940 8.0416 120.5673 57.2383 31.3442 174.5708 49 D 5.0332 7.8277 115.1514 52.8433 43.1109 172.9358 50 Y 5.1392 8.6074 116.5215 56.4824 42.3074 173.8857 51 S 4.7182 9.1237 111.1523 58.1699 66.1332 176.2007 52 T 4.5830 9.3294 113.7021 61.2976 69.5274 173.2306 53 H 5.0567 7.6961 116.4016 53.6763 32.3337 172.8523 54 W 4.4682 9.0013 118.8745 57.0796 29.2130 175.5485 55 N 5.1231 9.0793 122.0877 51.1480 40.9228 174.1505 56 D 4.7467 8.4295 116.8752 53.1703 40.5289 176.5801 57 L 4.1678 7.9158 119.7777 55.6612 42.0292 177.8889 58 L 4.5937 8.2766 120.0517 54.4336 42.2964 176.7763 59 F 4.6321 7.5216 116.3832 55.4542 42.7431 175.1110 60 C 4.5757 8.5451 121.0120 56.7216 42.0363 173.2693 61 L 4.3016 8.3801 121.9291 54.1471 42.6326 176.7867 62 R 4.3447 8.4128 122.2211 56.2644 30.7321 177.2966 63 C 4.6113 8.4318 120.8681 57.2719 41.1129 173.7438 64 T 4.2694 8.2244 120.4188 62.8205 68.3042 175.1262 65 R 4.1961 8.3344 126.0380 55.9770 30.9364 178.1256 66 C 4.5792 8.3648 119.6072 55.5153 37.8135 174.9418 67 D 4.5279 8.1382 124.4881 54.2473 40.5643 177.6896 68 S 4.5245 8.7160 117.1876 59.9415 62.1835 175.2054 69 G 4.3114 7.6683 106.8345 45.0441 0.0000 172.5234 70 E 4.6477 7.9518 117.4093 54.7795 33.5562 175.6576 71 V 4.2306 8.1614 116.2614 59.8628 33.4934 174.9953 72 E 4.2504 8.3897 122.8219 55.8399 30.4287 174.4313 73 L 4.7225 8.1686 124.0512 55.9285 43.7812 176.3810 74 S 4.6183 7.6232 112.7684 55.6836 65.8122 171.0079 75 P 4.2301 0.0000 0.0000 62.6921 32.1600 176.3445 76 C 4.3757 8.6287 122.1841 56.8098 44.7367 173.0127 77 T 4.3050 7.6897 116.9800 59.5507 71.1850 174.0086 78 T 4.0569 8.4542 110.2376 64.1857 68.6490 175.7277 79 T 4.6340 7.8766 110.1472 61.1428 70.5976 173.3109 80 R 4.7546 7.6724 123.3881 54.1147 33.1382 174.0032 81 N 3.8199 8.2807 125.0335 53.2414 39.5926 174.4058 82 T 4.1709 8.1394 119.2682 61.8108 68.6672 172.9846 83 V 4.3475 7.8111 126.1232 61.2330 34.2036 175.1579 84 C 4.8525 8.6308 123.1989 56.4171 41.3530 173.4804 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 21 S 8.19 4.46 0.00 3.78 3.85 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 22 S 7.68 4.88 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.27 2.09 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 24 S 8.62 4.43 0.00 4.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.52 3.91 0.00 2.10 2.02 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 0.00 2.20 2.25 0.00 26 G 8.49 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.70 5.01 0.00 1.92 1.92 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.87 5.11 0.00 2.84 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 29 P 0.00 2.97 0.00 1.49 0.64 0.00 3.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 30 P 0.00 4.21 0.00 1.96 2.00 0.00 3.15 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 31 G 9.73 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 32 H 7.57 5.37 0.00 2.81 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.61 4.96 0.00 3.36 3.34 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.35 4.41 1.86 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 1.26 1.42 1.00 0.00 0.00 35 S 8.58 4.52 0.00 3.91 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 36 E 8.84 3.90 0.00 2.07 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 0.00 2.25 2.29 0.00 37 D 8.07 4.56 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.59 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 40 D 8.03 5.08 0.00 2.53 2.44 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 41 C 8.97 5.24 0.00 2.68 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 42 I 8.19 4.59 1.50 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 1.04 0.60 0.89 0.00 0.00 43 S 8.59 4.72 0.00 3.94 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 44 C 8.36 4.67 0.00 2.95 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 45 K 9.01 4.23 0.00 1.83 1.70 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 46 Y 8.54 4.10 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 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 48 Q 8.04 4.59 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 49 D 7.83 5.03 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.61 5.14 0.00 3.08 3.11 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 51 S 9.12 4.72 0.00 3.78 3.83 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 52 T 9.33 4.58 4.33 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 1.50 0.00 0.00 53 H 7.70 5.06 0.00 3.26 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 9.00 4.47 0.00 3.20 3.28 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 55 N 9.08 5.12 0.00 2.76 2.56 0.00 0.00 6.20 8.23 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 56 D 8.43 4.75 0.00 2.69 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 57 L 7.92 4.17 0.00 1.77 1.75 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.28 4.59 0.00 1.31 1.20 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.52 4.63 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.55 4.58 0.00 2.85 3.16 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 0.00 61 L 8.38 4.30 0.00 0.27 1.23 0.75 0.89 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 62 R 8.41 4.34 0.00 1.70 1.89 0.00 3.38 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 63 C 8.43 4.61 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.22 4.27 4.21 0.00 0.00 0.00 0.00 0.00 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 65 R 8.33 4.20 0.00 1.80 1.84 0.00 3.35 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 66 C 8.36 4.58 0.00 3.00 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 67 D 8.14 4.53 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.72 4.52 0.00 3.82 3.85 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 69 G 7.67 4.31 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 0.00 70 E 7.95 4.65 0.00 1.79 1.80 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 2.24 2.32 0.00 71 V 8.16 4.23 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 0.88 0.00 0.00 0.92 0.00 0.00 72 E 8.39 4.25 0.00 1.91 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 2.26 0.00 73 L 8.17 4.72 0.00 1.67 1.66 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.62 4.62 0.00 3.85 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 75 P 0.00 4.23 0.00 1.95 2.05 0.00 3.67 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 2.07 2.13 0.00 76 C 8.63 4.38 0.00 2.89 2.80 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 77 T 7.69 4.31 4.28 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 1.20 0.00 0.00 78 T 8.45 4.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 79 T 7.88 4.63 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 1.20 0.00 0.00 80 R 7.67 4.75 0.00 1.77 1.70 0.00 3.06 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 81 N 8.28 3.82 0.00 1.52 2.30 0.00 0.00 7.12 7.70 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 82 T 8.14 4.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 83 V 7.81 4.35 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 0.89 0.00 0.00 0.88 0.00 0.00 84 C 8.63 4.85 0.00 2.97 2.95 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 0.00 0.00 0.00 0.00