NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5681 8.1476 118.3249 55.3696 33.5156 173.4267 2 Q 4.9020 8.2245 116.8406 52.6231 31.6104 172.9028 3 I 4.5842 9.0027 115.4074 59.1453 42.2302 174.8886 4 F 5.5203 8.6223 119.8037 55.6932 42.7714 175.1559 5 V 4.7539 9.0798 120.8807 61.2061 34.6072 173.9426 6 K 5.0986 9.2513 130.3379 54.7996 34.4773 176.2132 7 T 4.9743 8.4649 117.2973 59.7503 70.1446 175.6548 8 L 4.0214 8.4028 121.4985 57.9466 41.6719 179.2465 9 T 3.9290 7.3180 107.9504 63.0192 68.8314 175.4424 10 G 3.9834 8.1488 109.1832 44.5233 0.0000 173.5851 11 K 3.9329 8.1138 122.5134 57.4117 32.9831 175.4793 12 T 5.1605 8.5281 123.9554 62.0714 70.6606 173.9879 13 I 4.6190 8.9170 126.1198 59.8315 40.5241 174.5560 14 T 5.0310 8.5657 122.2428 61.9342 70.3551 173.6798 15 L 4.7948 8.5593 126.2477 52.8850 45.2267 175.2321 16 E 4.9759 8.6053 121.5536 55.1224 30.7430 175.7947 17 V 4.6866 9.0994 117.8227 59.9038 36.3712 174.4930 18 E 4.6372 9.1742 121.9010 54.3460 31.4878 176.0123 19 P 4.3000 0.0000 0.0000 64.7815 31.6154 178.2301 20 S 4.4409 7.8281 111.3551 59.1878 64.1272 174.4170 21 D 4.4122 7.9449 122.8287 54.5656 41.2134 176.4055 22 T 4.8189 8.1749 113.5927 61.2160 71.4217 175.8401 23 I 3.8495 8.3911 121.5247 64.0312 36.9154 178.8182 24 E 3.9438 8.1085 119.6035 59.4225 29.3354 178.7193 25 N 4.2780 8.1463 116.5076 56.6210 38.6747 177.6418 26 V 3.5919 7.7847 119.3242 65.8867 31.5099 178.2255 27 K 4.3588 8.5660 119.5432 58.8536 31.8180 179.1942 28 A 3.9819 8.2111 121.1838 55.0673 18.2732 179.8484 29 K 3.9289 8.0638 117.0548 59.6922 32.0093 179.6992 30 I 3.7765 7.8095 120.1618 64.1406 36.9443 178.3457 31 Q 4.1239 8.1842 122.2268 58.6404 28.6955 177.7606 32 D 4.3543 7.9742 118.8242 57.5735 40.9932 178.8050 33 K 4.1685 7.7619 116.9565 58.5479 32.2358 178.3612 34 E 4.5979 8.4221 116.4573 54.9914 31.1418 177.3284 35 G 3.8908 8.3165 106.4421 45.5581 0.0000 173.4061 36 I 4.0402 7.3473 121.5719 59.6900 37.9018 173.8219 37 P 4.4426 0.0000 0.0000 61.6395 32.3050 175.6114 38 P 4.2282 0.0000 0.0000 65.7798 31.3759 178.1633 39 D 4.5205 8.0580 115.4899 55.2393 39.4835 176.4524 40 Q 4.5223 8.2671 118.5382 55.8836 30.2516 174.7561 41 Q 4.6799 7.8734 119.6533 54.3535 31.1646 174.7456 42 R 4.6837 8.8097 122.7134 54.4468 32.9727 174.7429 43 L 5.1278 8.4561 123.9592 53.4872 44.2542 175.7420 44 I 5.0653 8.5348 122.6587 59.7125 41.2478 174.2239 45 F 5.0018 8.8439 128.4879 56.8804 42.7962 174.2337 46 A 3.0325 8.9280 129.9505 53.3692 15.6224 177.5981 47 G 3.9178 8.3531 104.9537 46.7368 0.0000 173.9231 48 K 4.5806 7.5100 117.5855 53.9078 35.3593 175.3403 49 Q 4.5753 8.5984 124.9497 56.0175 29.5297 175.6593 50 L 4.0234 8.5620 126.8166 54.5493 42.4242 176.2386 51 E 4.4629 9.2895 121.7022 55.5618 31.0611 177.1056 52 D 4.2756 9.1977 124.6044 57.6957 41.2128 179.4837 53 G 3.5723 8.1296 105.9141 48.3427 0.0000 174.1961 54 R 4.0211 7.4668 118.7734 56.5721 30.6897 175.4621 55 T 4.9516 8.2886 109.1302 59.5501 71.4934 175.6242 56 L 4.0754 8.3597 121.2638 57.7696 41.8207 179.9059 57 S 4.5186 8.0994 112.3488 60.0769 63.5085 175.9693 58 D 4.2808 7.6367 120.7119 56.6944 40.5444 176.6414 59 Y 4.6371 7.7784 114.3769 56.6551 38.3725 174.6632 60 N 4.1675 8.0480 116.7318 54.3386 38.0874 174.2927 61 I 3.7064 8.1553 118.1137 60.4074 37.4814 175.5806 62 Q 4.6411 8.4115 123.4694 52.9707 31.4152 174.4807 63 K 3.8901 8.4037 116.3989 59.2323 32.1113 176.6851 64 E 3.8840 8.9451 123.0001 55.6502 28.2164 175.0820 65 S 4.4625 8.0525 115.9316 59.4690 64.3326 173.4895 66 T 5.1704 8.6763 118.6113 62.0627 70.4166 173.9061 67 L 4.8355 8.8383 126.9757 54.1602 44.1512 175.3286 68 H 5.3248 9.1899 119.1113 54.0885 31.3915 173.1600 69 L 5.1327 9.0142 125.6087 53.4497 44.1744 175.2118 70 V 4.5547 8.5859 125.3477 60.9857 35.1035 175.0849 71 L 4.8585 8.5373 126.8739 54.9754 42.9211 175.7576 72 R 4.6220 8.2764 120.7500 56.1180 33.4400 175.4584 73 L 4.3715 8.4229 123.8258 54.3885 41.6598 175.9638 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 M 8.15 4.57 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 Q 8.22 4.90 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 3 I 9.00 4.58 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.75 0.00 0.00 4 F 8.62 5.52 0.00 3.05 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 V 9.08 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 6 K 9.25 5.10 0.00 1.73 1.46 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 7 T 8.46 4.97 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 L 8.40 4.02 0.00 1.67 1.79 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.32 3.93 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 10 G 8.15 3.98 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 0.00 0.00 0.00 11 K 8.11 3.93 0.00 1.88 1.73 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.53 5.16 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 1.23 0.00 0.00 13 I 8.92 4.62 2.00 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 1.24 0.75 0.92 0.00 0.00 14 T 8.57 5.03 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 1.18 0.00 0.00 15 L 8.56 4.79 0.00 1.50 1.47 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.61 4.98 0.00 1.80 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 2.19 2.23 0.00 17 V 9.10 4.69 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.90 0.00 0.00 18 E 9.17 4.64 0.00 1.98 1.83 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 2.23 2.40 0.00 19 P 0.00 4.30 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 20 S 7.83 4.44 0.00 3.96 3.97 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 21 D 7.94 4.41 0.00 2.79 2.62 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 0.00 0.00 0.00 0.00 22 T 8.17 4.82 4.52 0.00 0.00 0.00 0.00 0.00 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 23 I 8.39 3.85 2.24 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.93 0.89 0.00 0.00 24 E 8.11 3.94 0.00 2.06 2.00 0.00 0.00 0.00 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 2.60 0.00 25 N 8.15 4.28 0.00 2.94 2.87 0.00 0.00 6.72 6.96 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 26 V 7.78 3.59 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 0.99 0.00 0.00 0.94 0.00 0.00 27 K 8.57 4.36 0.00 1.98 1.84 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.54 7.81 28 A 8.21 3.98 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 29 K 8.06 3.93 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.81 3.78 2.16 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.94 0.00 0.00 31 Q 8.18 4.12 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 32 D 7.97 4.35 0.00 2.80 2.72 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 33 K 7.76 4.17 0.00 1.72 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.65 7.81 34 E 8.42 4.60 0.00 2.03 1.96 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 2.32 2.43 0.00 35 G 8.32 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 0.00 0.00 0.00 36 I 7.35 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.17 1.96 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.06 4.52 0.00 2.77 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 40 Q 8.27 4.52 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 41 Q 7.87 4.68 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 R 8.81 4.68 0.00 1.86 1.81 0.00 3.11 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 43 L 8.46 5.13 0.00 1.54 1.52 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.53 5.07 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.91 0.00 0.00 45 F 8.84 5.00 0.00 3.00 2.78 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 46 A 8.93 3.03 0.91 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 47 G 8.35 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 48 K 7.51 4.58 0.00 1.81 1.71 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 49 Q 8.60 4.58 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 50 L 8.56 4.02 0.00 1.39 1.20 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.29 4.46 0.00 2.06 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 2.51 2.54 0.00 52 D 9.20 4.28 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.47 4.02 0.00 2.16 2.10 0.00 3.15 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.65 0.00 55 T 8.29 4.95 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 L 8.36 4.08 0.00 1.95 1.71 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.10 4.52 0.00 4.04 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 58 D 7.64 4.28 0.00 2.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.78 4.64 0.00 3.10 3.06 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 0.00 0.00 0.00 0.00 60 N 8.05 4.17 0.00 2.85 2.96 0.00 0.00 7.12 7.56 0.00 0.00 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 I 8.16 3.71 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.58 0.52 0.00 0.00 62 Q 8.41 4.64 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 63 K 8.40 3.89 0.00 1.84 1.87 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 E 8.95 3.88 0.00 2.21 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 65 S 8.05 4.46 0.00 3.58 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.68 5.17 4.36 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 1.18 0.00 0.00 67 L 8.84 4.84 0.00 1.62 1.57 0.58 0.66 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 68 H 9.19 5.32 0.00 3.07 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 5.13 0.00 1.71 1.52 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.59 4.55 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 0.93 0.00 0.00 0.95 0.00 0.00 71 L 8.54 4.86 0.00 1.58 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.28 4.62 0.00 1.78 1.88 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.42 4.37 0.00 1.67 1.37 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00