NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2046 8.1701 115.2428 61.3382 68.5298 173.4669 3 A 3.9394 8.5093 130.5799 52.1155 18.8911 175.5362 4 L 4.3433 8.5474 122.2761 53.3756 43.7755 175.6236 5 A 4.1022 8.3111 125.4328 51.7250 18.9918 177.0933 6 K 4.0180 8.4336 121.8421 55.6995 32.4595 175.4002 7 P 4.6443 0.0000 0.0000 60.8954 33.0464 175.1260 8 Q 4.0330 8.4404 119.6159 56.9563 29.0451 175.6172 9 M 4.7689 8.5984 121.8271 54.6215 34.1256 175.3722 10 R 4.5926 7.5890 117.9021 55.2094 33.5216 175.7395 11 G 4.2508 8.7798 107.4266 46.8308 0.0000 175.8549 12 L 3.9859 7.4270 122.6320 57.3355 41.4644 179.1366 13 L 3.9365 7.8776 119.5682 58.1565 42.1919 178.7406 14 A 4.0312 7.9409 120.2902 55.0617 18.3419 179.4856 15 R 3.8664 8.1389 117.3469 59.5326 30.3257 178.5451 16 R 4.0042 8.0686 118.6139 59.3561 29.8921 178.2684 17 L 3.9869 7.9169 120.0435 58.1288 42.2867 178.8972 18 R 3.8612 8.0445 118.5921 59.4003 30.0947 177.8566 19 F 4.0827 8.1993 120.4814 61.9844 39.2435 176.6917 20 H 4.3226 8.2726 114.2761 57.7849 28.6248 177.9522 21 I 3.7089 8.0253 122.3950 64.3019 36.9798 178.2641 22 V 3.7081 7.6898 118.9997 66.1735 31.2733 178.2550 23 G 3.4680 7.8466 104.9721 47.6877 0.0000 175.5459 24 A 4.0090 8.2803 123.4165 54.7136 18.3869 179.3077 25 F 4.1292 8.6061 119.6390 61.9478 39.3264 177.3245 26 M 3.8636 8.2485 118.1006 58.3919 31.7036 178.9736 27 V 3.6173 7.9432 118.3810 65.8696 31.6402 178.3254 28 S 4.1510 7.9664 115.0033 61.7091 62.7574 176.6221 29 L 4.1356 7.6658 121.6934 57.6270 41.2336 179.9970 30 G 3.5911 7.7873 105.6429 47.6507 0.0000 175.7443 31 F 4.3051 8.7820 123.4872 60.7693 39.3844 176.9886 32 A 3.8153 8.6439 120.7883 55.5684 17.9805 179.4312 33 T 3.8179 7.6693 112.5384 67.0504 68.8999 176.1834 34 F 4.4450 8.2813 122.1872 61.5539 39.4288 176.5481 35 Y 3.4608 8.2741 119.5309 59.9068 38.1956 176.7559 36 K 4.2461 7.9798 117.6646 56.3531 32.2314 176.9386 37 F 4.6500 7.8439 121.0927 59.7723 43.0574 176.1999 38 A 3.2465 7.5571 120.6848 52.9069 18.9125 177.3622 39 V 3.7842 6.8174 113.1011 63.5770 33.6283 177.1204 40 A 3.8808 7.3276 120.7906 55.1899 18.3108 179.2238 41 E 3.8764 7.8996 115.9887 59.2540 29.6518 179.2641 42 K 3.7006 7.2719 119.8538 59.5828 32.1221 178.7758 43 R 3.9433 7.9318 118.7297 59.4212 30.0555 178.6041 44 K 4.0338 7.9843 118.2385 59.3273 31.9253 179.2910 45 K 3.9877 8.4028 119.8530 59.1288 32.1624 178.4749 46 A 3.9917 8.0971 121.2217 55.6775 18.2705 179.3144 47 Y 3.6995 8.1919 114.6338 60.9998 37.8912 178.6411 48 A 4.1395 8.3449 121.6412 55.4868 18.3696 179.2778 49 D 4.3608 8.5636 116.6311 57.4839 40.9256 178.7776 50 F 4.0053 8.0589 120.0423 61.5338 39.7873 176.5343 51 Y 4.2866 8.2097 115.1107 59.4435 37.5833 177.6081 52 R 4.0174 7.5920 119.7318 58.9204 30.3453 178.0276 53 N 5.0253 7.8051 113.6484 52.7928 39.5029 174.2377 54 Y 4.0277 7.9021 119.2789 57.3815 39.5635 175.0131 55 D 4.5330 7.7985 125.5264 52.1580 42.8522 176.7019 56 S 3.6594 7.9444 123.6166 61.3716 63.0508 176.1756 57 M 4.1710 7.9344 122.0536 58.0232 31.8044 178.3683 58 K 3.9207 8.2652 119.9216 59.3877 32.3888 178.3015 59 D 4.3372 8.2049 118.5325 57.3727 41.1089 177.9494 60 F 4.3849 8.6994 121.5149 61.4528 39.3042 176.5757 61 E 3.5405 8.5767 119.1048 59.2336 29.3554 178.5810 62 E 3.8965 8.0895 118.4904 59.7031 29.6569 179.3673 63 M 3.8574 8.0228 118.5690 58.1948 32.0240 178.5048 64 R 3.9953 8.3491 119.4194 59.7653 29.9027 178.7276 65 K 3.9953 7.9969 116.5682 59.1348 32.1271 178.8891 66 A 4.1442 7.8914 119.8857 53.0548 18.2063 178.1618 67 G 3.8178 7.7254 105.4773 45.8666 0.0000 174.9688 68 I 3.7560 7.1809 114.3036 62.0384 38.0285 176.0431 69 F 5.0539 7.5787 119.1704 55.9572 40.4394 175.9587 70 Q 4.2085 8.9625 123.4169 58.5815 28.7351 177.4431 71 S 4.5082 8.1628 109.4144 58.3177 63.9414 173.8171 72 A 4.5824 7.8472 124.0135 50.9627 21.2992 176.0064 73 K 4.2602 8.7974 121.5714 56.7792 32.4541 176.4417 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 T 8.17 4.20 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 3 A 8.51 3.94 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 4 L 8.55 4.34 0.00 1.64 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.31 4.10 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 6 K 8.43 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.64 0.00 2.20 2.04 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 Q 8.44 4.03 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.60 4.77 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 10 R 7.59 4.59 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 11 G 8.78 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 0.00 0.00 0.00 0.00 12 L 7.43 3.99 0.00 1.63 1.72 0.91 0.45 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 13 L 7.88 3.94 0.00 1.76 1.66 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.94 4.03 1.38 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 15 R 8.14 3.87 0.00 1.97 2.14 0.00 3.24 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 16 R 8.07 4.00 0.00 2.06 2.16 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 17 L 7.92 3.99 0.00 1.95 1.89 0.95 0.93 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 18 R 8.04 3.86 0.00 2.15 1.98 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 19 F 8.20 4.08 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.27 4.32 0.00 3.38 3.37 0.00 5.87 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 21 I 8.03 3.71 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 0.91 0.00 0.00 22 V 7.69 3.71 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 0.98 0.00 0.00 0.91 0.00 0.00 23 G 7.85 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.01 1.41 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 0.00 0.00 25 F 8.61 4.13 0.00 3.07 3.25 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 26 M 8.25 3.86 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.94 0.00 27 V 7.94 3.62 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 1.08 0.00 0.00 0.97 0.00 0.00 28 S 7.97 4.15 0.00 3.96 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 29 L 7.67 4.14 0.00 1.56 1.56 0.46 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.79 3.59 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 0.00 0.00 0.00 31 F 8.78 4.31 0.00 3.14 3.31 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 32 A 8.64 3.82 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 33 T 7.67 3.82 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 F 8.28 4.45 0.00 3.21 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 35 Y 8.27 3.46 0.00 2.28 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 36 K 7.98 4.25 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.66 7.81 37 F 7.84 4.65 0.00 2.87 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 A 7.56 3.25 0.39 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 39 V 6.82 3.78 0.80 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 0.61 0.00 0.00 0.29 0.00 0.00 40 A 7.33 3.88 1.30 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 0.00 0.00 41 E 7.90 3.88 0.00 1.93 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 0.00 2.63 2.35 0.00 42 K 7.27 3.70 0.00 1.68 1.71 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.28 7.81 43 R 7.93 3.94 0.00 2.00 2.03 0.00 3.09 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 44 K 7.98 4.03 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 45 K 8.40 3.99 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.47 7.81 46 A 8.10 3.99 1.30 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 0.00 0.00 47 Y 8.19 3.70 0.00 3.23 3.24 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 48 A 8.34 4.14 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 49 D 8.56 4.36 0.00 2.67 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 50 F 8.06 4.01 0.00 2.80 2.85 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 0.00 0.00 0.00 51 Y 8.21 4.29 0.00 3.40 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 52 R 7.59 4.02 0.00 1.95 2.10 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.81 5.03 0.00 2.69 2.75 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.90 4.03 0.00 2.71 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 55 D 7.80 4.53 0.00 2.57 2.33 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 56 S 7.94 3.66 0.00 4.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.93 4.17 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 58 K 8.27 3.92 0.00 1.97 1.86 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 8.20 4.34 0.00 2.89 2.94 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 0.00 0.00 0.00 0.00 60 F 8.70 4.38 0.00 3.15 3.36 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 0.00 61 E 8.58 3.54 0.00 2.34 1.91 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 2.33 2.37 0.00 62 E 8.09 3.90 0.00 2.24 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 2.31 2.49 0.00 63 M 8.02 3.86 0.00 1.63 2.35 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.46 0.00 64 R 8.35 4.00 0.00 1.06 1.71 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 65 K 8.00 4.00 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 66 A 7.89 4.14 1.26 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 0.00 0.00 67 G 7.73 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.18 3.76 1.57 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.71 0.00 0.00 69 F 7.58 5.05 0.00 3.40 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 70 Q 8.96 4.21 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 71 S 8.16 4.51 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 72 A 7.85 4.58 1.38 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 73 K 8.80 4.26 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.38 7.81