NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4204 8.3349 116.7966 58.0501 62.8306 172.5149 2 R 3.9711 8.0429 124.5949 55.4421 28.1066 169.5389 3 V 4.6658 7.8389 120.0928 60.9067 35.5595 173.7261 4 C 4.2834 9.2846 128.8344 59.1866 31.4379 174.2397 5 Q 4.1215 8.6720 127.7922 58.2429 28.6054 178.0400 6 V 4.0355 7.7692 116.2476 62.5716 32.5236 176.6994 7 T 4.3022 8.0614 107.6872 60.8116 70.0763 175.1762 8 G 3.9240 8.1646 110.6619 44.6005 0.0000 173.6559 9 K 4.0685 7.8649 120.0918 57.1031 32.9600 176.3705 10 R 5.1812 8.2694 120.9619 52.5286 32.7544 173.2355 11 P 4.7681 0.0000 0.0000 62.6435 31.7131 176.4797 12 V 4.7600 8.9773 115.5934 59.8379 35.6823 174.5942 13 T 4.6496 8.4549 111.9027 60.8578 71.4037 174.2387 14 G 4.3523 8.4734 107.9831 46.5392 0.0000 171.0020 15 N 5.8399 8.7432 117.4152 51.2901 41.4217 173.2396 16 N 4.5633 8.6618 113.2588 55.4657 40.1373 173.6931 17 R 4.2043 7.5910 121.1775 56.8914 27.1677 176.4129 18 S 4.5148 8.0073 117.8121 57.6326 64.5570 175.4820 19 H 4.1156 8.8377 116.5415 59.1674 28.3161 177.1094 20 A 4.0338 8.0220 118.5793 52.8594 18.0796 177.1290 21 L 3.7650 8.0163 114.5558 55.5637 39.9381 174.1932 22 N 4.5945 8.4193 117.6067 53.1286 39.3284 174.4427 23 A 4.6144 8.6323 126.8244 51.9143 19.8011 176.7084 24 T 4.5994 8.2879 111.7520 59.5867 72.1912 173.4858 25 K 4.5350 8.9084 126.0305 57.0406 33.1008 176.1996 26 R 4.6858 9.3203 119.9416 54.9396 33.5026 173.5166 27 R 5.0708 8.2232 116.1107 54.7319 33.7290 175.0549 28 F 4.9356 10.3791 122.3333 55.7849 41.3753 174.8622 29 L 5.1823 8.3409 121.5003 53.1593 43.7558 174.4529 30 P 4.3367 0.0000 0.0000 62.4971 31.9564 176.9064 31 N 4.6110 8.6728 121.4349 54.2888 37.5667 173.4652 32 L 5.1300 7.9880 123.5187 53.8793 43.5507 175.2482 33 H 4.8846 9.3637 114.8726 54.9487 35.5406 171.4897 34 S 3.8401 8.6552 117.0163 58.5115 62.4215 170.4344 35 H 4.7747 9.4559 124.3493 54.1839 33.6575 172.8681 36 R 4.5626 7.8333 122.1398 55.0184 29.7767 175.4315 37 F 4.6042 9.0501 123.8119 56.0070 40.8858 174.9625 38 W 5.3198 9.1250 133.8727 57.4268 30.9515 175.8692 39 V 3.5417 7.6250 121.0116 64.0960 31.0852 176.7547 40 E 3.8514 6.5910 124.2208 56.5664 29.0260 176.0892 41 S 4.0295 7.8054 110.5865 60.6482 62.2682 174.1340 42 E 4.4424 7.5958 115.4524 54.8536 31.3714 175.3793 43 K 3.4451 7.7161 118.2289 56.3146 30.2980 172.8271 44 R 4.4513 5.8400 117.1693 55.6969 34.5490 174.0618 45 F 5.7472 8.6207 120.1626 55.2540 40.4436 175.8399 46 V 4.1589 8.5314 118.2574 60.8354 33.1543 175.3035 47 T 5.6261 8.6102 120.1345 59.9657 68.6419 173.3366 48 L 4.5730 8.7618 128.9918 53.8820 44.4828 176.1412 49 R 4.8207 8.4917 121.5814 55.2993 31.2154 175.0377 50 V 4.9166 8.4952 125.9680 60.9358 35.8324 173.8251 51 S 5.8510 8.6833 118.1092 55.9457 65.1245 173.1708 52 A 4.0223 8.7302 124.8069 53.7099 18.1464 175.3851 53 K 4.1983 9.8509 127.1408 57.3417 30.1565 177.6690 54 G 3.8312 8.6432 105.5527 48.4614 0.0000 175.2449 55 M 4.2428 8.5492 121.6465 58.1592 31.9267 179.1890 56 R 4.0127 7.9145 117.7937 59.0276 29.8022 178.9788 57 V 3.5703 8.4520 119.0106 66.0376 31.5180 178.1719 58 I 3.6354 8.2845 119.7004 64.6168 36.7597 178.0948 59 D 4.4645 8.4360 118.5723 55.6103 40.7786 178.1006 60 K 3.8719 8.6086 118.9311 57.6465 31.3667 178.7119 61 K 4.4546 5.6600 115.0762 59.1620 33.1896 177.4541 62 G 4.0270 8.2254 107.0526 45.3184 0.0000 174.1963 63 I 3.5007 8.6528 124.5499 64.6720 37.0047 178.3922 64 D 4.5136 8.0599 117.3671 57.7184 40.7163 178.7603 65 T 4.0786 7.6009 115.7225 66.1125 68.7974 177.0951 66 V 3.4506 7.7200 120.1960 66.0958 31.5487 178.1179 67 L 3.6762 8.2019 118.5946 57.4629 41.1456 179.0969 68 A 4.0082 7.5463 120.7904 55.3438 18.3557 178.5346 69 E 4.0122 7.4821 113.8368 57.1362 29.6789 174.7621 70 L 3.8696 8.1363 119.3934 56.2849 40.6716 176.9609 71 R 3.8548 8.2018 116.9033 59.6373 30.3800 179.2341 72 A 4.0720 8.1320 119.3010 54.3733 18.3557 177.9113 73 R 4.4590 8.3890 113.8800 55.8473 30.7507 175.3269 74 G 4.0822 8.3974 105.6527 45.8752 0.0000 174.4662 75 E 4.0826 7.9018 117.6901 56.0658 29.8329 176.2097 76 K 3.8312 8.2562 120.2474 54.7903 32.8515 176.6555 77 Y 4.1264 8.3283 121.6644 56.7260 39.3829 171.5193 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 S 8.33 4.42 0.00 3.89 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 2 R 8.04 3.97 0.00 1.96 1.91 0.00 3.10 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 3 V 7.84 4.67 2.21 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 0.77 0.00 0.00 0.94 0.00 0.00 4 C 9.28 4.28 0.00 2.96 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 5 Q 8.67 4.12 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 6 V 7.77 4.04 1.97 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 0.71 0.00 0.00 0.86 0.00 0.00 7 T 8.06 4.30 4.23 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 1.20 0.00 0.00 8 G 8.16 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 0.00 0.00 0.00 9 K 7.86 4.07 0.00 1.77 1.79 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 10 R 8.27 5.18 0.00 1.78 1.92 0.00 2.64 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 11 P 0.00 4.77 0.00 1.99 2.11 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 12 V 8.98 4.76 2.12 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 0.84 0.00 0.00 0.97 0.00 0.00 13 T 8.45 4.65 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 1.25 0.00 0.00 14 G 8.47 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 0.00 0.00 0.00 0.00 15 N 8.74 5.84 0.00 2.74 2.79 0.00 0.00 7.15 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.66 4.56 0.00 2.67 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 17 R 7.59 4.20 0.00 2.03 2.13 0.00 3.16 0.00 0.00 3.15 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 18 S 8.01 4.51 0.00 4.00 4.04 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 19 H 8.84 4.12 0.00 3.11 3.41 0.00 5.91 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 20 A 8.02 4.03 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 21 L 8.02 3.76 0.00 1.83 1.80 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.42 4.59 0.00 2.63 2.76 0.00 0.00 6.95 7.71 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 23 A 8.63 4.61 1.23 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 0.00 0.00 24 T 8.29 4.60 4.23 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 1.20 0.00 0.00 25 K 8.91 4.53 0.00 1.66 1.80 0.00 1.72 0.00 0.00 1.94 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.40 7.81 26 R 9.32 4.69 0.00 1.59 1.89 0.00 2.39 0.00 0.00 2.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 R 8.22 5.07 0.00 1.61 1.80 0.00 3.18 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 28 F 10.38 4.94 0.00 3.00 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 29 L 8.34 5.18 0.00 1.61 1.61 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.34 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 31 N 8.67 4.61 0.00 2.89 2.79 0.00 0.00 7.13 6.66 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 32 L 7.99 5.13 0.00 1.51 1.55 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.36 4.88 0.00 3.00 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.66 3.84 0.00 4.18 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 35 H 9.46 4.77 0.00 3.10 2.92 0.00 5.57 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 36 R 7.83 4.56 0.00 1.26 1.17 0.00 3.15 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 37 F 9.05 4.60 0.00 3.16 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 38 W 9.13 5.32 0.00 4.23 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 39 V 7.63 3.54 1.79 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 0.59 0.00 0.00 0.64 0.00 0.00 40 E 6.59 3.85 0.00 2.53 2.01 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 2.28 2.46 0.00 41 S 7.81 4.03 0.00 3.90 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 42 E 7.60 4.44 0.00 1.79 1.81 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 2.19 2.25 0.00 43 K 7.72 3.45 0.00 1.76 1.84 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.62 7.81 44 R 5.84 4.45 0.00 1.79 1.66 0.00 3.19 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 45 F 8.62 5.75 0.00 3.11 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 46 V 8.53 4.16 2.18 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 1.06 0.00 0.00 1.00 0.00 0.00 47 T 8.61 5.63 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 1.30 0.00 0.00 48 L 8.76 4.57 0.00 1.67 1.56 0.56 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.49 4.82 0.00 1.93 1.86 0.00 3.14 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 V 8.50 4.92 2.27 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 1.02 0.00 0.00 0.96 0.00 0.00 51 S 8.68 5.85 0.00 3.96 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 52 A 8.73 4.02 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 53 K 9.85 4.20 0.00 1.85 2.14 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.21 7.81 54 G 8.64 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 0.00 0.00 0.00 55 M 8.55 4.24 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.89 0.00 56 R 7.91 4.01 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 57 V 8.45 3.57 2.26 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 0.99 0.00 0.00 0.95 0.00 0.00 58 I 8.28 3.64 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.00 0.90 0.00 0.00 59 D 8.44 4.46 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.87 0.00 1.75 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 61 K 5.66 4.45 0.00 2.00 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.43 7.81 62 G 8.23 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 63 I 8.65 3.50 1.81 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.53 0.75 0.00 0.00 64 D 8.06 4.51 0.00 2.60 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 65 T 7.60 4.08 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 1.18 0.00 0.00 66 V 7.72 3.45 1.99 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 0.87 0.00 0.00 0.85 0.00 0.00 67 L 8.20 3.68 0.00 1.46 1.06 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.55 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.48 4.01 0.00 2.14 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 0.00 2.33 2.45 0.00 70 L 8.14 3.87 0.00 2.01 1.80 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.20 3.85 0.00 2.21 2.34 0.00 3.13 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 72 A 8.13 4.07 1.33 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 0.00 0.00 73 R 8.39 4.46 0.00 1.72 1.96 0.00 3.24 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 74 G 8.40 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 75 E 7.90 4.08 0.00 2.02 1.98 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 2.34 2.34 0.00 76 K 8.26 3.83 0.00 1.85 1.73 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 77 Y 8.33 4.13 0.00 3.07 2.99 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