NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1798 8.1200 121.1853 56.6017 34.0340 177.6119 3 L 3.7986 7.7853 120.1567 57.5911 41.9300 177.4468 4 S 4.1793 8.8048 116.2354 61.3405 63.1950 175.6540 5 E 3.8874 8.1377 120.9240 59.5423 29.2706 179.0727 6 V 3.5649 8.0706 118.5027 66.3149 31.5604 178.2204 7 R 3.8863 7.7951 115.0438 59.3039 29.3748 178.4867 8 K 3.6636 7.9852 120.3884 59.9692 32.1143 177.7779 9 Q 4.0124 8.9931 119.2570 58.2531 28.4731 178.4100 10 L 3.9101 8.5646 119.8046 59.0593 41.9332 178.7961 11 E 3.6980 8.7746 116.5865 60.5255 29.5327 178.0526 12 E 4.0345 8.5995 117.7080 59.4482 29.7799 179.3868 13 A 4.0181 8.3051 120.1521 55.1066 18.5193 179.4973 14 R 4.1142 8.5307 115.8843 57.5208 30.3822 177.2362 15 K 4.6690 7.6882 118.6381 56.5516 32.9469 176.9076 16 L 4.4008 8.1409 120.0682 55.1096 43.7262 177.2789 17 S 4.4378 8.1035 112.2293 58.2179 62.9398 167.2643 18 P 4.1527 0.0000 0.0000 66.5341 30.9240 179.0262 19 V 3.8903 7.6956 117.3394 65.2821 31.4402 177.6132 20 E 4.1096 7.9133 118.2900 58.6440 29.2755 178.5113 21 L 3.9296 7.7864 118.3593 57.8204 41.9245 178.6270 22 E 4.1084 8.2400 118.6421 59.6676 29.3395 179.8261 23 K 3.9817 7.6266 116.4019 59.4351 30.7828 178.9579 24 L 4.4932 8.3012 120.7843 56.1498 41.7693 178.1348 25 V 3.9995 7.4580 116.9715 65.5741 32.3019 177.2734 26 R 4.1264 7.9582 117.3401 59.7739 29.8393 178.3914 27 E 3.7644 7.9140 117.8603 59.4378 29.3347 179.8810 28 K 3.9280 7.4224 116.3997 59.5470 32.3679 179.4188 29 K 3.8910 8.8793 120.1503 59.4455 31.9436 179.5827 30 R 3.8609 8.7491 117.0937 59.5276 29.4634 178.6565 31 E 3.9260 8.2517 120.0407 58.9137 29.4353 179.2456 32 L 3.9947 8.2129 120.4277 58.0859 42.0114 178.7568 33 M 4.0594 7.8584 117.9396 58.8182 32.4530 177.6528 34 E 3.7245 8.1614 119.3483 59.4398 29.4266 178.8672 35 L 4.0247 7.7999 118.6170 57.6104 41.7334 179.1012 36 R 3.9340 8.1540 117.8289 59.8300 29.9185 179.0175 37 F 4.0967 8.6337 117.6880 60.2076 39.0531 177.5013 38 Q 4.1874 8.1792 117.1494 58.7890 28.4374 178.6738 39 A 4.0443 8.9399 123.4602 54.9850 18.3935 179.6008 40 S 4.3109 9.1498 113.6251 60.1246 62.5900 175.5004 41 I 4.4592 7.1284 115.7735 59.8370 39.0725 179.2786 42 G 3.7286 8.9967 110.2085 47.2521 0.0000 174.2294 43 Q 4.1244 8.9240 119.0957 53.7369 29.2646 175.5308 44 L 5.5939 7.1943 135.0000 55.0849 45.0938 173.1276 45 S 4.5765 7.2190 108.2757 57.9243 65.1987 175.8795 46 Q 4.3921 7.3202 124.6113 54.2626 29.5590 178.7199 47 N 3.2599 7.9357 115.1164 51.7039 40.4479 176.0459 48 H 3.9032 8.8963 122.9064 59.0619 29.1164 177.1111 49 K 3.7672 7.7821 121.1297 59.0392 31.7171 179.1441 50 I 3.8019 8.8335 120.9245 63.9728 37.4772 178.0124 51 R 3.8484 7.9135 118.9696 59.6196 29.8990 177.6050 52 D 4.3380 8.3500 117.9893 57.3753 41.1451 178.1670 53 L 3.9269 7.7191 120.5686 58.0380 42.1707 178.6962 54 K 3.8553 8.4102 118.9412 59.9127 31.9838 179.4323 55 R 3.9568 7.9336 117.6561 59.2591 29.8870 178.9184 56 Q 4.1346 7.8457 117.4796 59.2327 28.6495 179.0973 57 I 3.6578 7.8110 120.3233 64.4560 37.0293 178.2526 58 A 4.0812 7.9013 120.6562 54.9889 18.3908 179.3981 59 R 4.0439 8.2366 117.7512 59.3176 30.3254 178.3100 60 L 3.9177 8.1849 119.0683 58.0373 41.3208 179.3901 61 L 4.2100 8.3395 119.1250 58.3869 41.5344 180.0679 62 T 3.9498 7.7629 115.6795 66.4354 68.4048 177.0940 63 V 3.6275 8.2455 120.6719 65.7734 31.3626 177.8344 64 L 3.9743 7.8576 118.7709 57.9620 42.1989 178.1739 65 N 4.4608 7.9059 116.8749 56.5752 38.8476 176.6306 66 E 4.1206 8.0523 116.7151 58.2365 30.0315 177.8995 67 K 4.2471 7.9004 120.3821 57.8784 32.3655 177.5760 68 R 4.3165 7.8006 116.2783 57.0113 30.4271 176.7134 69 R 4.6920 7.5238 118.3033 55.2836 30.8636 176.1173 70 Q 4.7047 7.4357 118.0223 57.6984 36.0374 175.9177 71 N 4.7807 8.2585 115.4660 52.6465 38.5021 175.4042 72 A 4.3212 7.9051 127.4874 52.3200 19.2261 177.7102 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 K 8.12 5.18 0.00 1.86 1.88 0.00 2.04 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.79 3.80 0.00 1.83 1.65 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.80 4.18 0.00 3.91 3.89 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 0.00 0.00 0.00 5 E 8.14 3.89 0.00 2.17 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 2.40 2.37 0.00 6 V 8.07 3.56 2.24 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 1.14 0.00 0.00 0.93 0.00 0.00 7 R 7.80 3.89 0.00 2.09 2.18 0.00 2.84 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 8 K 7.99 3.66 0.00 2.05 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 Q 8.99 4.01 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.56 3.91 0.00 1.80 1.75 0.92 1.13 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 11 E 8.77 3.70 0.00 2.08 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 0.00 2.34 2.36 0.00 12 E 8.60 4.03 0.00 2.11 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 0.00 2.31 2.34 0.00 13 A 8.31 4.02 1.36 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 0.00 0.00 14 R 8.53 4.11 0.00 1.89 2.00 0.00 3.28 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 15 K 7.69 4.67 0.00 1.77 1.85 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.38 7.81 16 L 8.14 4.40 0.00 1.82 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.10 4.44 0.00 4.14 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 0.00 18 P 0.00 4.15 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 19 V 7.70 3.89 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 1.32 0.00 0.00 0.97 0.00 0.00 20 E 7.91 4.11 0.00 2.20 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 2.38 0.00 21 L 7.79 3.93 0.00 1.97 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.24 4.11 0.00 2.14 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 2.34 2.62 0.00 23 K 7.63 3.98 0.00 2.03 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 24 L 8.30 4.49 0.00 1.71 1.78 0.92 0.64 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 25 V 7.46 4.00 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 1.00 0.00 0.00 1.00 0.00 0.00 26 R 7.96 4.13 0.00 1.99 1.98 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 27 E 7.91 3.76 0.00 1.94 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 0.00 2.32 2.36 0.00 28 K 7.42 3.93 0.00 1.94 1.84 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.64 7.81 29 K 8.88 3.89 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 30 R 8.75 3.86 0.00 1.94 2.34 0.00 2.76 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 1.74 1.63 0.00 31 E 8.25 3.93 0.00 2.19 2.04 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 2.31 2.62 0.00 32 L 8.21 3.99 0.00 1.85 1.88 0.93 1.06 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 33 M 7.86 4.06 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.29 0.00 34 E 8.16 3.72 0.00 2.04 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 0.00 2.26 2.35 0.00 35 L 7.80 4.02 0.00 2.02 1.71 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.15 3.93 0.00 2.21 2.06 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.05 0.00 37 F 8.63 4.10 0.00 3.08 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 38 Q 8.18 4.19 0.00 2.29 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 39 A 8.94 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.15 4.31 0.00 3.83 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 0.00 41 I 7.13 4.46 1.88 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 1.45 0.75 0.97 0.00 0.00 42 G 9.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.92 4.12 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 44 L 7.19 5.59 0.00 1.71 1.78 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.22 4.58 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.32 4.39 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.06 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 47 N 7.94 3.26 0.00 2.85 2.78 0.00 0.00 6.72 8.16 0.00 0.00 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 H 8.90 3.90 0.00 3.36 3.59 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.78 3.77 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.58 7.81 50 I 8.83 3.80 2.00 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 1.42 0.60 0.92 0.00 0.00 51 R 7.91 3.85 0.00 1.88 1.95 0.00 3.21 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 1.71 1.71 0.00 52 D 8.35 4.34 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.93 0.00 2.00 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.41 3.86 0.00 2.04 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.66 7.81 55 R 7.93 3.96 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 Q 7.85 4.13 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 57 I 7.81 3.66 2.01 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 1.73 0.92 0.91 0.00 0.00 58 A 7.90 4.08 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 59 R 8.24 4.04 0.00 2.06 1.92 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 60 L 8.18 3.92 0.00 1.90 1.70 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.34 4.21 0.00 1.72 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.76 3.95 4.48 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 0.00 0.00 0.00 1.21 0.00 0.00 63 V 8.25 3.63 2.16 0.00 0.00 0.00 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 0.97 0.00 0.00 64 L 7.86 3.97 0.00 1.68 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.91 4.46 0.00 3.15 2.89 0.00 0.00 6.90 7.31 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 66 E 8.05 4.12 0.00 2.18 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 0.00 2.37 2.31 0.00 67 K 7.90 4.25 0.00 2.10 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.46 7.81 68 R 7.80 4.32 0.00 1.98 1.96 0.00 3.35 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 69 R 7.52 4.69 0.00 1.78 1.92 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 70 Q 7.44 4.70 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 71 N 8.26 4.78 0.00 2.73 2.87 0.00 0.00 7.03 7.59 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 72 A 7.91 4.32 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