NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4598 8.3349 115.4128 58.3880 64.3706 172.4979 2 T 4.3523 8.0425 117.3191 60.5868 70.8413 172.8220 3 A 3.9586 9.5114 129.2728 52.8135 19.6942 177.1179 4 L 4.1674 8.3051 121.9265 54.2864 42.5273 176.9899 5 A 4.2963 8.1649 124.5208 51.1248 19.4410 177.1368 6 K 4.0746 8.3582 121.4848 55.5352 32.5936 175.4214 7 P 4.6236 0.0000 0.0000 61.2775 33.0766 174.7677 8 Q 4.1807 8.3871 119.6197 56.2529 29.1868 175.1163 9 M 4.7239 8.6558 122.6499 54.7895 34.0590 175.5176 10 R 4.6260 8.0528 117.7443 55.1048 33.1359 175.3894 11 G 4.0012 8.5868 106.9180 46.9501 0.0000 176.2024 12 L 4.0146 7.9238 121.3500 57.0747 41.6962 178.6098 13 L 3.9216 7.8558 119.7731 57.9915 42.1791 178.5273 14 A 3.9830 7.9554 120.2547 55.2648 17.8591 179.1912 15 R 3.8800 8.1735 117.2607 59.7578 30.0549 178.7162 16 R 4.0370 7.9443 118.2398 59.1510 30.0143 178.1379 17 L 3.9036 8.2614 120.5159 58.3808 41.9455 178.6522 18 R 3.9179 8.1520 117.5281 60.0430 30.1146 177.6580 19 F 4.5993 8.1580 119.3439 61.5261 39.5417 176.9116 20 H 3.7571 8.3469 115.4807 58.7076 28.5868 177.6289 21 I 3.9857 8.1737 120.6951 63.8179 37.5835 178.2372 22 V 3.8350 8.2227 119.5324 66.0450 31.5296 178.3127 23 G 3.6315 8.1926 104.6565 47.6184 0.0000 175.3309 24 A 4.0080 8.5757 123.4506 55.1390 18.3016 179.7742 25 F 3.8642 8.1731 115.9121 60.7252 39.0560 177.7239 26 M 4.1405 8.5200 118.7157 58.5581 31.8980 179.0629 27 V 3.7082 7.9202 118.1471 66.0624 31.8630 178.1206 28 S 4.1275 8.1496 114.8753 61.8335 62.6911 176.8255 29 L 4.3535 8.5016 121.3223 57.0590 41.1993 179.6199 30 G 3.6544 8.0066 106.0909 47.8084 0.0000 175.5698 31 F 4.0611 8.5501 120.5678 59.9048 39.0609 177.7592 32 A 4.1204 8.1649 119.8754 55.6309 18.3312 179.9115 33 T 3.8013 8.4313 108.5591 64.6765 68.6646 176.5093 34 F 4.2143 8.7697 124.0625 61.4045 39.5022 176.4437 35 Y 3.7970 8.5922 119.4720 60.6431 38.5454 177.5387 36 K 3.6770 8.0547 120.4763 59.7850 31.9250 178.7634 37 F 4.3193 7.8100 117.2245 60.5228 38.8323 177.6559 38 A 3.8768 7.7198 118.8042 53.7187 18.3422 177.2504 39 V 3.8042 7.1965 114.4341 63.9225 33.4647 177.1423 40 A 3.8731 7.2527 120.6444 55.2939 18.2613 178.9879 41 E 3.9116 8.6972 116.3204 59.4693 29.6260 179.5745 42 K 3.8385 7.4566 119.4221 59.8046 32.3163 178.7428 43 R 4.0133 8.1120 118.6891 59.2300 29.8628 178.5741 44 K 4.0657 8.2588 118.5445 59.0143 31.9755 179.3176 45 K 3.9877 8.1600 119.7766 59.3940 32.3358 178.4739 46 A 4.0328 8.2722 121.3503 55.8640 18.2946 179.2948 47 Y 3.8670 8.3193 114.2547 60.8535 37.7603 178.2368 48 A 4.1886 7.7661 121.3689 55.2431 18.6698 179.1611 49 D 4.4776 8.7747 117.9033 57.3152 40.6791 178.6869 50 F 3.8811 7.8607 120.2060 61.6514 39.3624 175.5877 51 Y 4.5668 7.8967 114.3074 58.6774 37.8051 176.9579 52 R 4.0878 7.9616 121.6868 59.1839 30.8236 176.9310 53 N 5.0229 7.8573 112.2246 52.2014 38.0572 173.5053 54 Y 4.5088 7.5326 119.9792 55.4127 41.9938 173.6149 55 D 4.6660 7.4186 124.8560 51.8280 43.5396 176.4271 56 S 3.9599 8.1380 124.9728 60.9085 63.0311 176.0706 57 M 4.0823 7.9585 121.3692 58.2671 31.9647 177.9048 58 K 3.8065 8.1306 119.3107 59.6650 32.3707 177.7955 59 D 4.3353 8.0394 118.1301 57.3217 41.1201 177.9071 60 F 4.3733 8.4758 121.3521 61.4978 39.3653 176.6016 61 E 3.6058 8.7086 118.3231 59.6385 29.2195 179.1936 62 E 3.8891 8.3312 118.4679 59.9391 29.3798 179.5917 63 M 3.8873 7.9193 118.4509 58.0420 31.8868 178.7309 64 R 4.0305 8.0791 119.1376 59.5746 30.0637 178.8346 65 K 3.8849 7.9777 116.6056 59.1186 32.0762 178.5610 66 A 4.1890 7.4240 119.4552 52.2479 18.4252 177.6611 67 G 3.8049 7.9607 105.6375 46.3759 0.0000 175.4753 68 I 3.8022 7.0899 114.2334 62.9833 38.0529 176.8531 69 F 4.6797 7.4555 118.1605 57.3414 39.2826 174.9452 70 Q 4.6071 8.8373 119.6634 56.1598 29.3716 176.0668 71 S 4.6262 8.1139 111.3991 58.1993 63.9545 174.5655 72 A 4.5441 7.6777 123.9162 51.5419 19.5805 176.3063 73 K 4.2432 8.4542 119.4854 57.1255 32.2864 177.3917 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 S 8.33 4.46 0.00 3.99 3.94 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 2 T 8.04 4.35 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 9.51 3.96 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 4 L 8.31 4.17 0.00 1.65 1.61 0.92 0.83 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 5 A 8.16 4.30 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 6 K 8.36 4.07 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.62 0.00 2.22 2.07 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 8 Q 8.39 4.18 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 9 M 8.66 4.72 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 10 R 8.05 4.63 0.00 1.79 1.81 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 11 G 8.59 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 0.00 0.00 0.00 12 L 7.92 4.01 0.00 1.71 1.74 0.93 0.54 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 13 L 7.86 3.92 0.00 1.76 1.66 0.92 1.20 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 7.96 3.98 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 15 R 8.17 3.88 0.00 1.98 2.25 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 16 R 7.94 4.04 0.00 1.99 2.09 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 17 L 8.26 3.90 0.00 1.79 1.84 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.15 3.92 0.00 1.98 2.23 0.00 3.35 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 19 F 8.16 4.60 0.00 3.17 3.13 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 0.00 0.00 0.00 0.00 20 H 8.35 3.76 0.00 3.15 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.17 3.99 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 1.09 0.00 0.00 22 V 8.22 3.83 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.02 0.00 0.00 23 G 8.19 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 24 A 8.58 4.01 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 25 F 8.17 3.86 0.00 3.27 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 26 M 8.52 4.14 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.06 0.00 27 V 7.92 3.71 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 1.24 0.00 0.00 1.07 0.00 0.00 28 S 8.15 4.13 0.00 3.93 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 29 L 8.50 4.35 0.00 1.79 1.82 1.06 1.17 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 30 G 8.01 3.65 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 0.00 0.00 0.00 31 F 8.55 4.06 0.00 3.32 3.22 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 0.00 32 A 8.16 4.12 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 33 T 8.43 3.80 4.41 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 1.35 0.00 0.00 34 F 8.77 4.21 0.00 3.20 3.38 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 35 Y 8.59 3.80 0.00 3.28 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 36 K 8.05 3.68 0.00 1.66 1.38 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.47 1.17 7.81 37 F 7.81 4.32 0.00 3.08 2.97 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 38 A 7.72 3.88 0.57 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 39 V 7.20 3.80 0.97 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 0.53 0.00 0.00 0.50 0.00 0.00 40 A 7.25 3.87 1.27 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 0.00 0.00 0.00 41 E 8.70 3.91 0.00 2.20 2.12 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 0.00 2.31 2.81 0.00 42 K 7.46 3.84 0.00 1.75 1.90 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 43 R 8.11 4.01 0.00 1.97 2.18 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 44 K 8.26 4.07 0.00 2.01 1.88 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 K 8.16 3.99 0.00 2.02 2.01 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.49 7.81 46 A 8.27 4.03 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 47 Y 8.32 3.87 0.00 3.20 3.23 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 48 A 7.77 4.19 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 49 D 8.77 4.48 0.00 2.76 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 50 F 7.86 3.88 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.57 0.00 3.18 3.05 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 0.00 52 R 7.96 4.09 0.00 1.95 2.19 0.00 3.29 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 53 N 7.86 5.02 0.00 2.68 2.70 0.00 0.00 6.62 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 7.53 4.51 0.00 2.97 2.84 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 0.00 0.00 0.00 55 D 7.42 4.67 0.00 2.53 2.26 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 56 S 8.14 3.96 0.00 4.20 4.34 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 57 M 7.96 4.08 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 58 K 8.13 3.81 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 D 8.04 4.34 0.00 2.89 2.93 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 0.00 0.00 0.00 60 F 8.48 4.37 0.00 3.30 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 8.71 3.61 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 2.62 2.56 0.00 62 E 8.33 3.89 0.00 2.12 1.98 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 2.30 2.61 0.00 63 M 7.92 3.89 0.00 1.57 2.33 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 2.79 2.44 0.00 64 R 8.08 4.03 0.00 1.10 1.77 0.00 3.31 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.00 0.00 65 K 7.98 3.88 0.00 1.68 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.55 7.81 66 A 7.42 4.19 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 67 G 7.96 3.80 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 0.00 0.00 0.00 68 I 7.09 3.80 1.61 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.73 0.00 0.00 69 F 7.46 4.68 0.00 3.35 3.03 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 0.00 0.00 0.00 70 Q 8.84 4.61 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 S 8.11 4.63 0.00 3.97 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 72 A 7.68 4.54 1.42 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 0.00 0.00 73 K 8.45 4.24 0.00 1.80 1.76 0.00 1.97 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.41 7.81