NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4553 8.1627 120.6291 55.6468 34.2439 173.2447 2 Q 4.9259 8.3823 123.0557 54.2104 31.0415 172.8780 3 Y 4.6931 9.1628 122.7340 56.0304 42.6679 174.1584 4 K 4.4704 8.7397 124.1866 55.1399 33.2295 175.3483 5 V 4.2706 9.0185 129.1655 61.6968 33.3413 174.5034 6 I 4.7369 8.3841 128.3736 59.8929 39.0065 176.1808 7 L 4.3973 8.3938 129.1434 53.4091 40.9013 173.2440 8 N 4.7302 8.3522 119.2752 52.3708 39.7396 173.3045 9 G 4.3806 8.7753 118.2950 43.8472 0.0000 171.3410 10 K 4.1293 8.6489 117.8279 59.0790 32.4175 178.3042 11 T 4.3410 7.6765 105.4611 61.5826 69.8515 174.1955 12 L 4.7996 7.4624 124.1307 53.3403 45.1906 174.6686 13 K 5.0259 8.1368 123.2984 55.2563 36.4705 175.7736 14 G 4.0882 8.1287 107.9398 46.5548 0.0000 171.5338 15 E 5.1530 8.7895 117.8852 55.1200 33.5751 174.9533 16 T 4.8510 9.7746 118.5044 60.8215 72.0877 172.4770 17 T 5.4249 8.0900 113.2372 59.8443 71.3467 172.9740 18 T 4.4998 8.6081 120.8508 60.0079 70.4747 172.1678 19 E 5.2263 8.6348 127.7729 54.5809 31.0505 174.7187 20 A 4.7061 8.9362 127.7754 50.2582 22.0469 176.2190 21 V 3.6439 8.6242 120.2089 65.8701 31.7913 175.2254 22 D 5.2557 9.0379 117.3448 51.4882 42.5567 175.9334 23 A 3.0684 8.7838 120.2193 54.9094 18.0732 179.5261 24 A 3.9593 7.9112 118.8598 55.4699 18.5153 179.4297 25 T 3.7479 9.3789 108.9831 65.0786 68.5012 175.9726 26 A 3.9671 7.9328 123.9499 54.6451 18.2659 178.9099 27 E 3.7937 8.5273 118.4314 59.5209 29.5679 179.3693 28 K 3.9228 8.7343 119.1598 59.5243 31.9574 179.3341 29 V 3.5374 8.2667 118.2464 66.0820 31.6369 177.9120 30 V 3.5112 8.3358 118.0043 65.9087 31.2958 177.8606 31 K 4.0220 8.1814 118.4713 59.8867 31.8475 178.9157 32 Q 3.7953 8.3022 119.5570 59.0981 28.8960 177.7081 33 F 4.6561 7.9721 122.9321 61.0578 39.1048 177.2503 34 F 4.4212 7.5644 116.4746 60.5189 38.6955 176.8877 35 N 4.2048 8.9961 117.0421 56.8211 38.7176 175.8269 36 D 4.6508 8.2281 118.4769 55.7297 41.4927 178.3847 37 N 4.5370 9.0099 117.9965 55.5655 38.8511 177.6436 38 G 3.9851 8.9393 99.2978 44.5786 0.0000 176.4145 39 V 4.0855 8.7182 123.5032 62.6095 31.8418 174.8136 40 D 4.8478 7.5557 118.8387 54.5438 41.8327 176.0529 41 G 3.9629 8.1387 108.5184 45.3866 0.0000 173.9129 42 E 4.5624 8.6571 119.1696 54.9956 30.1665 175.0312 43 W 5.2466 8.9699 125.1553 55.3469 30.6993 175.8945 44 T 4.7664 8.6056 115.6661 60.1946 70.8095 172.8581 45 Y 4.8650 8.3773 125.1210 56.0062 41.8345 173.6779 46 D 4.6070 8.2155 125.7209 51.4213 41.1797 175.3494 47 D 3.6918 7.4877 123.0003 56.6123 41.3650 178.9826 48 A 3.9392 7.8260 120.6428 54.8824 18.2415 177.9413 49 T 4.5381 7.7805 102.7735 60.2399 69.4408 173.7651 50 K 4.1603 7.7085 118.4039 57.0563 30.5852 174.6948 51 T 5.0347 7.6098 112.5245 61.9024 72.1862 173.2077 52 F 5.4958 9.3900 123.3308 56.0483 41.7381 175.5432 53 T 4.4315 9.3645 113.3113 59.8412 70.5959 173.3525 54 V 3.7964 8.2284 127.9342 62.6559 31.9103 175.1848 55 T 4.4774 7.8570 125.1593 61.3284 70.0534 174.9107 56 E 3.9682 8.8584 126.4530 56.6159 29.6275 176.3752 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 8.16 4.46 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 2 Q 8.38 4.93 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 3 Y 9.16 4.69 0.00 2.89 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 4 K 8.74 4.47 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 5 V 9.02 4.27 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 0.96 0.00 0.00 0.94 0.00 0.00 6 I 8.38 4.74 1.89 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 1.36 0.77 0.98 0.00 0.00 7 L 8.39 4.40 0.00 1.58 1.58 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.35 4.73 0.00 2.73 2.74 0.00 0.00 7.02 7.98 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 9 G 8.78 4.38 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 0.00 10 K 8.65 4.13 0.00 1.74 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 11 T 7.68 4.34 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 12 L 7.46 4.80 0.00 1.66 1.46 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.14 5.03 0.00 1.62 1.63 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 14 G 8.13 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.79 5.15 0.00 1.81 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 2.22 2.30 0.00 16 T 9.77 4.85 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 1.33 0.00 0.00 17 T 8.09 5.42 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 1.20 0.00 0.00 18 T 8.61 4.50 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 E 8.63 5.23 0.00 2.00 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 2.22 2.45 0.00 20 A 8.94 4.71 1.11 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 0.00 0.00 21 V 8.62 3.64 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 0.86 0.00 0.00 0.94 0.00 0.00 22 D 9.04 5.26 0.00 2.89 2.76 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 23 A 8.78 3.07 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 24 A 7.91 3.96 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 25 T 9.38 3.75 4.18 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 0.00 0.00 0.00 1.24 0.00 0.00 26 A 7.93 3.97 0.76 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 27 E 8.53 3.79 0.00 2.01 2.11 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 2.31 2.37 0.00 28 K 8.73 3.92 0.00 1.86 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.57 7.81 29 V 8.27 3.54 2.13 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 0.73 0.00 0.00 0.90 0.00 0.00 30 V 8.34 3.51 2.25 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 0.99 0.00 0.00 0.86 0.00 0.00 31 K 8.18 4.02 0.00 2.07 1.92 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.75 7.81 32 Q 8.30 3.80 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 F 7.97 4.66 0.00 2.92 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.56 4.42 0.00 3.23 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 35 N 9.00 4.20 0.00 2.79 2.99 0.00 0.00 7.27 8.38 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 36 D 8.23 4.65 0.00 2.90 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 37 N 9.01 4.54 0.00 2.67 2.75 0.00 0.00 5.75 5.12 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 38 G 8.94 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 0.00 0.00 0.00 39 V 8.72 4.09 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 0.73 0.00 0.00 0.92 0.00 0.00 40 D 7.56 4.85 0.00 2.72 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 41 G 8.14 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 0.00 0.00 0.00 42 E 8.66 4.56 0.00 2.01 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 2.40 2.39 0.00 43 W 8.97 5.25 0.00 3.17 3.29 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 44 T 8.61 4.77 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 1.28 0.00 0.00 45 Y 8.38 4.87 0.00 2.88 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 46 D 8.22 4.61 0.00 2.61 2.42 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 0.00 47 D 7.49 3.69 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 3.94 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.78 4.54 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 1.19 0.00 0.00 50 K 7.71 4.16 0.00 1.97 2.07 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.57 7.81 51 T 7.61 5.03 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 1.31 0.00 0.00 52 F 9.39 5.50 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 53 T 9.36 4.43 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 1.24 0.00 0.00 54 V 8.23 3.80 1.72 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 0.36 0.00 0.00 -0.26 0.00 0.00 55 T 7.86 4.48 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 1.23 0.00 0.00 56 E 8.86 3.97 0.00 2.08 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 2.44 2.40 0.00