NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9082 8.3544 109.7370 45.1114 0.0000 173.0702 3 K 3.7120 8.6457 121.8070 55.8765 32.9212 171.6294 4 V 4.5225 8.6865 124.7460 61.2886 35.4898 173.2382 5 Y 5.0416 8.7817 123.8550 56.0766 41.0738 174.6775 6 K 4.4695 8.2318 122.9553 54.5049 34.9667 174.8487 7 K 4.9578 8.4632 125.0068 54.6704 34.6339 175.8289 8 V 4.5681 8.7031 117.0862 59.4811 35.6333 174.0579 9 E 5.0506 8.7557 124.1560 54.7536 30.9219 174.9055 10 L 4.9136 8.9736 126.4418 52.8281 46.1474 175.7598 11 V 4.7427 8.2801 119.7543 61.2958 33.6274 175.0298 12 G 4.5797 9.0804 116.0252 44.8738 0.0000 172.0163 13 T 5.8116 8.0328 111.1482 59.0651 72.2958 172.9037 14 S 4.6685 8.2278 114.4852 57.7893 65.2512 175.5017 15 E 4.4542 9.0465 124.3955 57.7729 29.9250 177.6513 16 E 4.2398 8.3597 119.4285 57.1884 30.4206 175.6722 17 G 3.3502 7.0980 104.9420 43.9654 0.0000 173.7002 18 L 3.7901 7.3991 118.2741 57.7542 41.4376 179.5662 19 E 3.8871 7.9983 117.8185 59.3686 29.4294 179.1432 20 A 3.9476 7.8801 120.0869 54.9342 18.5906 179.4011 21 A 4.0688 7.9021 119.2363 55.3328 18.4813 179.8861 22 I 3.4920 7.7718 118.3259 64.7115 37.0893 178.7629 23 Q 3.9016 8.3678 118.9423 58.6817 28.4335 178.7159 24 A 3.9167 8.1551 121.7832 55.0141 18.4044 179.5174 25 A 3.8725 7.8167 118.7412 55.4038 18.5454 179.7708 26 L 3.8635 7.8812 117.2668 57.6604 41.3861 179.6265 27 A 3.9521 8.0433 120.5326 55.0237 18.7038 179.3725 28 R 3.9089 7.9937 117.0770 59.4518 30.0952 178.4965 29 A 3.9002 8.0498 120.6631 55.2472 17.8957 179.5620 30 R 3.9392 8.0172 116.6305 58.9227 29.8502 178.7740 31 K 4.0734 7.6936 117.9329 58.8232 32.0704 177.5831 32 T 4.5046 7.2820 102.7619 60.4975 70.4176 173.7023 33 L 4.4600 7.9238 122.3557 52.7743 43.6681 175.9895 34 R 4.4649 8.0373 120.9880 55.6779 32.6806 174.9473 35 H 4.1974 8.4920 113.2270 56.8699 25.9826 175.1054 36 L 4.5033 8.1457 119.0734 55.4116 42.1207 175.7707 37 D 5.1966 9.3158 122.4979 55.2748 43.2813 176.0709 38 W 5.5264 7.8852 113.2637 55.1078 31.9686 173.0707 39 F 5.3761 8.3116 114.1911 55.2891 41.1279 173.8111 40 E 4.7087 9.2691 118.6363 54.6268 33.2968 175.0924 41 V 4.2187 8.7431 125.3435 63.0359 31.6680 175.4967 42 K 4.4589 9.2693 128.0247 58.3647 33.3430 176.9017 43 E 4.8354 7.9165 116.6774 55.0529 34.3528 174.3238 44 I 4.9261 8.3634 122.4528 59.9102 40.0648 174.9205 45 R 4.7292 9.0746 125.6546 54.8344 34.9613 173.8470 46 G 4.2262 7.9542 106.2820 46.7066 0.0000 172.4310 47 T 4.7791 7.9994 109.9289 59.9604 71.7527 173.5423 48 I 4.8249 8.2332 122.6093 59.8701 39.9993 175.5922 49 G 4.1454 9.0390 114.9565 44.4835 0.0000 172.6601 50 E 3.9145 8.9363 117.3825 58.9358 29.6267 177.5216 51 A 4.5310 7.9941 119.5201 51.8245 20.5007 176.5621 52 G 3.9680 7.5971 109.0142 44.7498 0.0000 177.6587 53 V 3.7339 8.3894 123.0503 62.8540 31.5184 174.2792 54 K 4.2868 8.9061 129.2596 58.0471 33.4402 175.6580 55 E 4.9756 7.8795 118.0662 54.5610 33.6749 174.3562 56 Y 4.5366 9.1174 122.6010 57.8642 39.8758 174.7874 57 Q 4.8787 9.4674 122.5004 54.3548 32.3659 174.5467 58 V 4.2858 8.7420 126.0567 61.1278 33.5240 174.7571 59 V 4.6889 8.6661 129.8040 62.0544 32.6208 174.7646 60 L 5.2711 9.1047 127.7779 54.2121 44.4223 175.0072 61 E 4.8420 9.2685 121.0058 55.6352 31.4694 175.3875 62 V 4.4972 8.9238 124.3699 60.9883 34.3221 174.2102 63 G 3.1099 8.0616 115.8925 43.9674 0.0000 172.3479 64 F 5.7339 8.6039 118.4327 54.8313 41.8989 173.6227 65 A 4.1675 8.8642 123.2623 51.6879 18.9556 177.3848 66 L 4.2267 8.1787 123.3739 54.1534 42.5684 177.3705 67 E 4.0743 8.7805 121.8193 56.7400 29.4561 176.7592 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 2 G 8.35 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 3 K 8.65 3.71 0.00 1.75 1.73 0.00 1.73 0.00 0.00 1.36 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.60 1.16 7.81 4 V 8.69 4.52 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 0.94 0.00 0.00 0.97 0.00 0.00 5 Y 8.78 5.04 0.00 3.05 3.08 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 6 K 8.23 4.47 0.00 1.43 0.74 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.16 7.81 7 K 8.46 4.96 0.00 1.63 1.78 0.00 2.04 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.11 1.43 7.81 8 V 8.70 4.57 2.14 0.00 0.00 0.00 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 1.08 0.00 0.00 9 E 8.76 5.05 0.00 2.11 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 2.21 2.48 0.00 10 L 8.97 4.91 0.00 1.55 1.48 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.28 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 9.08 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.03 5.81 4.32 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 1.22 0.00 0.00 14 S 8.23 4.67 0.00 3.90 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 15 E 9.05 4.45 0.00 2.04 2.03 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 2.52 2.34 0.00 16 E 8.36 4.24 0.00 1.95 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 0.00 2.29 2.39 0.00 17 G 7.10 3.35 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 18 L 7.40 3.79 0.00 1.57 1.64 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.89 0.00 1.99 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 2.38 2.42 0.00 20 A 7.88 3.95 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 21 A 7.90 4.07 1.45 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 0.00 0.00 0.00 22 I 7.77 3.49 1.85 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 1.38 0.69 0.29 0.00 0.00 23 Q 8.37 3.90 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.16 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.82 3.87 1.24 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 0.00 0.00 0.00 26 L 7.88 3.86 0.00 1.61 1.65 0.61 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.04 3.95 1.31 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 28 R 7.99 3.91 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 8.05 3.90 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 30 R 8.02 3.94 0.00 1.99 2.02 0.00 3.08 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 31 K 7.69 4.07 0.00 1.91 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.61 7.81 32 T 7.28 4.50 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 1.17 0.00 0.00 33 L 7.92 4.46 0.00 1.37 0.87 0.42 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.04 4.46 0.00 1.67 1.51 0.00 3.26 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 35 H 8.49 4.20 0.00 3.66 3.52 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.50 0.00 1.66 1.66 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.32 5.20 0.00 3.12 3.07 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 38 W 7.89 5.53 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 5.38 0.00 3.06 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 40 E 9.27 4.71 0.00 1.97 1.93 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 2.40 2.50 0.00 41 V 8.74 4.22 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 0.88 0.00 0.00 1.11 0.00 0.00 42 K 9.27 4.46 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.76 7.81 43 E 7.92 4.84 0.00 1.90 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 2.32 2.36 0.00 44 I 8.36 4.93 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 1.00 0.00 0.00 45 R 9.07 4.73 0.00 1.70 1.81 0.00 3.56 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.95 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 0.00 0.00 0.00 0.00 47 T 8.00 4.78 4.20 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 1.18 0.00 0.00 48 I 8.23 4.82 1.84 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 1.22 0.63 0.93 0.00 0.00 49 G 9.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 3.91 0.00 1.96 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 2.30 2.30 0.00 51 A 7.99 4.53 1.25 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 0.00 0.00 0.00 52 G 7.60 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 0.00 0.00 0.00 53 V 8.39 3.73 1.75 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 -0.19 0.00 0.00 0.66 0.00 0.00 54 K 8.91 4.29 0.00 1.88 1.81 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.37 7.81 55 E 7.88 4.98 0.00 1.86 1.77 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 2.18 2.39 0.00 56 Y 9.12 4.54 0.00 2.96 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 57 Q 9.47 4.88 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.74 4.29 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.67 4.69 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 0.86 0.00 0.00 0.95 0.00 0.00 60 L 9.10 5.27 0.00 1.98 1.74 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.27 4.84 0.00 1.91 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 2.44 0.00 62 V 8.92 4.50 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 0.93 0.00 0.00 0.90 0.00 0.00 63 G 8.06 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 0.00 0.00 0.00 64 F 8.60 5.73 0.00 3.32 3.01 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 65 A 8.86 4.17 1.21 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 0.00 0.00 0.00 66 L 8.18 4.23 0.00 1.54 1.57 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.78 4.07 0.00 2.00 1.89 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 2.36 2.42 0.00