NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7805 8.2893 120.6170 55.5613 33.5743 174.2160 2 I 4.5728 8.9708 118.7124 58.1496 41.8014 170.6571 3 E 4.9472 9.5254 124.7804 54.7554 32.3564 176.0522 4 V 4.8273 8.6638 120.3434 59.6980 35.3123 175.1670 5 V 4.7679 8.2780 115.9079 59.6765 34.5321 174.9789 6 V 4.9382 8.7476 124.3853 60.9837 34.4644 173.7297 7 N 5.3358 8.9128 125.4806 50.9867 39.7098 173.2848 8 D 4.9702 8.9343 124.5936 52.8057 42.0541 177.3654 9 R 3.7487 7.3566 124.2573 59.2396 30.4711 178.0049 10 L 4.0382 7.9634 117.5546 57.3585 42.1387 176.2904 11 G 3.4859 5.7365 111.6624 44.6829 0.0000 173.5869 12 K 4.2906 7.1707 121.3927 55.6039 35.2398 175.5827 13 K 4.9346 8.6459 128.0980 54.9359 32.6774 175.9147 14 V 4.5876 8.6859 125.5930 60.7559 34.6015 174.4320 15 R 5.0608 8.5425 123.3628 54.9324 31.7971 175.7560 16 V 4.5943 8.6595 119.6890 60.4022 34.9656 173.3726 17 K 5.0396 8.4231 122.6330 56.3511 34.7904 175.9540 18 C 4.6794 8.3971 115.2483 58.2611 34.4237 172.3305 19 L 5.1156 8.4929 116.1402 53.0992 45.7495 177.8250 20 A 4.0993 8.7995 124.5473 55.1360 18.5724 179.6395 21 E 4.1431 8.0368 112.2579 58.0923 30.5105 176.8159 22 D 4.4198 7.8780 120.1436 54.4087 41.5047 175.4063 23 S 4.8506 8.3449 118.6139 57.2909 65.0345 175.3123 24 V 3.8439 8.2779 124.5321 65.7971 31.2565 178.6402 25 G 3.6335 8.0996 105.2113 48.0077 0.0000 175.0825 26 D 4.4034 8.1296 120.6927 56.6144 41.2920 177.8476 27 F 3.9946 8.4151 121.4262 61.3126 39.3838 177.3779 28 K 4.1261 8.7415 118.4420 59.1746 31.5415 179.6436 29 K 3.9776 7.6157 117.9735 59.3616 32.0222 179.2765 30 V 3.6453 7.6494 118.6009 65.7935 31.4511 177.9081 31 L 3.7812 7.6852 120.1667 58.0631 41.8567 178.6707 32 S 4.1431 8.4176 113.5027 61.4860 61.9081 176.3006 33 L 4.0069 7.4015 120.8546 57.4567 41.3533 179.1388 34 Q 4.1476 7.7213 116.9285 58.8330 29.1842 178.0326 35 I 3.9383 7.7406 112.5315 61.2792 38.5818 175.7079 36 G 3.7694 8.3112 108.1432 47.5379 0.0000 173.9081 37 T 4.3037 7.6386 111.1650 62.1000 70.2813 173.1871 38 Q 3.7661 8.0725 125.8228 54.4018 28.9330 172.7516 39 P 4.4690 0.0000 0.0000 64.5576 31.7316 176.6964 40 N 4.6956 8.0255 115.0973 53.7149 39.6308 175.1294 41 K 4.8848 7.8627 119.0565 55.1266 33.7280 174.6209 42 I 5.0476 7.8658 118.5861 59.2703 39.5832 175.1135 43 V 4.4001 8.8872 126.1974 61.2208 34.2286 174.1870 44 L 5.1934 8.5252 127.5813 53.5441 43.8185 175.5194 45 Q 4.9329 8.7058 120.3278 54.1228 32.7735 174.6138 46 K 4.2442 8.7956 124.4470 54.0968 33.8082 175.8463 47 G 3.8608 8.9102 119.0876 46.3272 0.0000 171.4603 48 G 3.8145 8.3295 99.6234 45.8004 0.0000 173.8377 49 S 4.5299 7.3990 112.7722 56.2450 66.0210 172.7454 50 V 4.4413 8.2000 127.5220 60.8634 32.1082 175.3774 51 L 3.7712 8.4002 125.5529 53.2772 42.9317 176.2352 52 K 4.8298 8.7449 121.7821 54.2943 35.3460 177.2429 53 D 4.4602 8.9349 122.3465 56.7975 39.4735 177.7099 54 H 4.3103 8.1965 115.6966 57.6054 29.2464 175.1725 55 I 4.4082 7.6329 120.5401 59.2826 39.1672 175.3042 56 S 4.7598 8.0239 117.9747 56.8709 63.3677 175.1205 57 L 4.1540 8.7631 125.2709 57.9025 41.0089 179.4949 58 E 3.9155 7.8480 118.1126 59.3179 29.5292 178.4125 59 D 4.3657 7.5785 117.6304 57.5797 40.9997 178.0989 60 Y 4.2345 7.4627 114.4799 58.2810 39.4039 174.0174 61 E 3.4670 7.9531 119.4357 56.1977 27.3984 173.3264 62 V 4.2102 7.3826 117.8863 61.3624 33.1960 173.8502 63 H 5.0761 8.3551 124.8278 53.4334 32.0732 173.0039 64 D 4.4859 8.5810 119.0930 55.0183 39.7036 175.6439 65 Q 3.5123 8.5840 118.7164 57.5382 27.1578 173.5731 66 T 4.5765 7.6670 110.4718 60.7320 70.2973 172.1601 67 N 5.2148 8.5479 124.0100 52.0962 40.5068 173.9512 68 L 4.8779 8.8881 125.1172 52.9530 46.2158 175.1344 69 E 4.9480 8.7742 122.2972 54.6763 32.3302 174.3345 70 L 5.2303 8.2811 125.6363 53.6925 45.6851 174.7220 71 Y 4.5998 8.5057 120.3258 56.7286 43.0498 173.7038 72 Y 5.3448 8.3915 120.2403 56.9258 39.5613 175.5540 73 L 4.1803 8.6643 125.9326 55.5533 42.7208 174.7089 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 8.29 4.78 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 2 I 8.97 4.57 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.94 0.00 0.00 3 E 9.53 4.95 0.00 2.02 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 2.27 2.25 0.00 4 V 8.66 4.83 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 0.82 0.00 0.00 1.38 0.00 0.00 5 V 8.28 4.77 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 0.66 0.00 0.00 0.98 0.00 0.00 6 V 8.75 4.94 2.20 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 1.04 0.00 0.00 1.16 0.00 0.00 7 N 8.91 5.34 0.00 2.77 2.86 0.00 0.00 6.21 7.82 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 8 D 8.93 4.97 0.00 2.56 2.45 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 9 R 7.36 3.75 0.00 1.19 1.64 0.00 3.56 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 10 L 7.96 4.04 0.00 1.88 1.78 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 11 G 5.74 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.17 4.29 0.00 1.98 1.73 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.60 7.81 13 K 8.65 4.93 0.00 1.64 1.76 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 V 8.69 4.59 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 1.07 0.00 0.00 0.96 0.00 0.00 15 R 8.54 5.06 0.00 2.16 1.90 0.00 3.41 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 16 V 8.66 4.59 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.67 0.00 0.00 17 K 8.42 5.04 0.00 1.92 1.85 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.41 7.81 18 C 8.40 4.68 0.00 3.19 3.18 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 0.00 19 L 8.49 5.12 0.00 1.60 1.77 0.94 0.80 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 20 A 8.80 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.14 0.00 2.10 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 0.00 2.29 2.25 0.00 22 D 7.88 4.42 0.00 2.85 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 23 S 8.34 4.85 0.00 3.96 3.74 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 24 V 8.28 3.84 2.31 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 0.99 0.00 0.00 1.11 0.00 0.00 25 G 8.10 3.63 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 0.00 0.00 0.00 26 D 8.13 4.40 0.00 2.85 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 27 F 8.42 3.99 0.00 3.34 3.26 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 0.00 28 K 8.74 4.13 0.00 2.03 1.91 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.80 7.81 29 K 7.62 3.98 0.00 1.93 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.64 7.81 30 V 7.65 3.65 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 0.96 0.00 0.00 0.95 0.00 0.00 31 L 7.69 3.78 0.00 1.36 1.52 0.85 0.79 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 32 S 8.42 4.14 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.40 4.01 0.00 1.81 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.72 4.15 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.24 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 35 I 7.74 3.94 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.64 0.99 0.00 0.00 36 G 8.31 3.77 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 0.00 0.00 0.00 37 T 7.64 4.30 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 1.19 0.00 0.00 38 Q 8.07 3.77 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 39 P 0.00 4.47 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 40 N 8.03 4.70 0.00 2.74 2.92 0.00 0.00 6.71 7.62 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 41 K 7.86 4.88 0.00 1.80 1.82 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.38 7.81 42 I 7.87 5.05 1.96 0.00 0.00 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 1.39 1.03 1.02 0.00 0.00 43 V 8.89 4.40 2.28 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 1.09 0.00 0.00 1.00 0.00 0.00 44 L 8.53 5.19 0.00 1.54 1.41 1.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.71 4.93 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 46 K 8.80 4.24 0.00 1.61 1.53 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.37 7.81 47 G 8.91 3.86 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 0.00 0.00 0.00 48 G 8.33 3.81 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 0.00 0.00 0.00 49 S 7.40 4.53 0.00 3.94 3.62 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 50 V 8.20 4.44 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 1.07 0.00 0.00 0.89 0.00 0.00 51 L 8.40 3.77 0.00 1.24 0.98 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.74 4.83 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.39 7.81 53 D 8.93 4.46 0.00 2.76 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 54 H 8.20 4.31 0.00 3.23 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.63 4.41 2.02 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 1.07 0.92 0.36 0.00 0.00 56 S 8.02 4.76 0.00 3.81 3.75 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 57 L 8.76 4.15 0.00 1.97 1.67 1.06 0.86 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 E 7.85 3.92 0.00 2.12 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 2.31 2.38 0.00 59 D 7.58 4.37 0.00 2.39 2.34 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 60 Y 7.46 4.23 0.00 3.08 2.92 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 61 E 7.95 3.47 0.00 2.16 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 2.23 2.39 0.00 62 V 7.38 4.21 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 0.73 0.00 0.00 0.91 0.00 0.00 63 H 8.36 5.08 0.00 3.12 3.24 0.00 5.95 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 64 D 8.58 4.49 0.00 2.81 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 Q 8.58 3.51 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 66 T 7.67 4.58 4.40 0.00 0.00 0.00 0.00 0.00 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 67 N 8.55 5.21 0.00 2.76 2.68 0.00 0.00 6.79 7.77 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 68 L 8.89 4.88 0.00 1.74 1.45 0.69 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.77 4.95 0.00 1.99 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 2.40 2.33 0.00 70 L 8.28 5.23 0.00 1.68 1.34 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.51 4.60 0.00 3.04 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 72 Y 8.39 5.34 0.00 2.98 2.87 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 0.00 0.00 0.00 73 L 8.66 4.18 0.00 1.80 1.45 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00