NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4600 8.3001 118.7934 54.7008 32.9750 174.8233 1 A 4.5517 8.4511 123.1267 48.9149 20.5815 173.4613 2 Q 4.6013 8.3996 117.9454 55.2504 31.1089 173.7615 3 A 4.6836 8.5527 125.3499 51.4032 20.7557 176.0057 4 S 5.1575 8.8939 116.1308 56.2352 67.4357 173.6476 5 V 4.2452 8.5702 122.2374 63.0120 32.4551 175.0821 6 V 4.8815 8.7444 126.9415 60.6501 35.2993 174.2744 7 A 4.4960 8.8895 129.6583 52.2541 18.7142 177.6180 8 N 4.6906 9.2470 122.3723 55.0661 39.5507 174.2861 9 Q 4.6225 7.6077 114.0369 55.1945 31.7007 173.7035 10 L 4.1603 8.5345 122.2931 55.6730 42.9125 175.9570 11 I 4.4147 8.7825 127.7271 59.0278 38.8661 173.7890 12 P 4.7136 0.0000 0.0000 61.7708 32.2188 176.3709 13 I 3.8137 8.3371 121.9177 61.9285 38.7599 174.9216 14 N 4.2927 8.4545 123.0386 54.9531 36.8700 174.2739 15 T 4.7199 7.5063 112.3128 61.6198 72.0667 173.9599 16 C 4.6368 8.6562 123.6345 59.7050 29.1331 173.4462 17 L 4.3630 8.9819 124.6565 54.8811 42.5644 176.2955 18 T 4.9098 8.2867 112.3671 59.4565 72.0855 175.0227 19 L 4.0640 8.5336 121.4432 57.8326 41.8213 180.0030 20 V 3.7625 7.6603 110.3354 63.6410 31.9123 176.8173 21 M 4.2599 8.0851 118.9713 56.5200 32.2295 175.3263 22 M 5.2707 7.7585 118.9399 53.4797 35.1018 175.1809 23 R 4.6919 8.8608 120.5083 54.3702 33.2557 174.3927 24 S 5.1540 8.3672 112.6097 56.7047 65.1104 172.5602 25 E 4.6742 8.9778 125.7851 54.9243 33.6240 174.2844 26 V 4.4712 8.3708 125.5392 62.2128 31.6265 175.2490 27 V 4.6159 8.2328 120.0023 59.6735 35.4189 175.3697 28 T 4.6240 8.0610 116.6776 60.9791 71.7437 172.7363 29 P 4.4671 0.0000 0.0000 62.2111 32.1794 176.0259 30 V 3.8753 8.1603 119.1302 62.7908 32.7124 175.8956 31 G 4.3741 8.5088 115.0316 45.4538 0.0000 172.6336 32 I 4.0329 8.6115 124.3586 60.5996 38.3249 174.3385 33 P 4.7269 0.0000 0.0000 62.9080 31.8411 177.2971 34 A 4.0160 8.8974 124.9981 55.2672 18.0343 179.8194 35 E 4.0656 8.1663 114.5520 58.9486 29.9785 177.9007 36 D 4.7058 8.1966 118.9949 54.5297 40.8541 177.8282 37 I 3.6837 7.7162 121.8018 64.3057 37.4134 175.9192 38 P 4.3684 0.0000 0.0000 65.8371 31.0042 178.3556 39 R 4.0344 7.9319 115.2835 59.4587 30.3627 178.0662 40 L 4.2148 7.9339 118.0221 55.9158 41.6229 177.4795 41 V 3.8635 6.7534 117.7309 64.4321 31.6795 176.3870 42 S 4.0811 9.1116 122.2760 58.9705 61.6236 170.3036 43 M 4.4663 7.9753 120.6005 55.2073 33.3617 175.2766 44 Q 5.3419 8.4255 118.8598 53.7473 32.2112 175.2605 45 V 4.6912 8.2064 114.9366 60.5242 33.6788 176.1630 46 N 4.9381 8.8751 120.5043 53.0758 37.9034 174.5795 47 R 4.7809 7.5565 114.3970 54.6671 32.7703 174.4919 48 A 4.2531 8.5751 122.1958 52.1181 19.4518 177.3839 49 V 4.1892 8.9420 122.7341 60.2691 33.4329 173.3675 50 P 4.6399 0.0000 0.0000 62.0108 32.7183 175.9373 51 L 3.9924 8.4378 123.4657 57.1671 42.1616 177.7082 52 G 3.9700 8.9302 114.0235 45.4917 0.0000 173.4668 53 T 4.2452 7.5767 117.1561 63.2590 69.8957 174.2555 54 T 4.4576 8.3665 122.6756 63.3276 69.4649 174.2608 55 L 4.1458 8.8247 127.5183 54.9383 42.7642 176.4526 56 M 4.7712 8.4352 123.1114 52.6997 34.5056 175.1018 57 P 4.0004 0.0000 0.0000 65.8358 31.5907 178.1983 58 D 4.5949 7.9759 114.8509 55.1378 39.7489 176.6385 59 M 4.2137 8.1956 119.7367 55.9534 32.6527 175.6053 60 V 4.6321 7.3393 119.7925 60.3670 33.4644 174.7126 61 K 4.0653 8.8957 128.3353 57.8174 32.1104 177.5407 62 G 3.9504 9.0712 112.2382 45.3156 0.0000 172.2983 63 Y 4.3174 7.5376 120.9625 56.7745 39.5290 174.6142 64 A 4.2901 7.4787 127.9112 50.7830 22.3555 175.8454 65 A 4.0562 8.1854 124.1076 52.1022 19.3240 176.3643 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 0 M 8.30 4.46 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1 A 8.45 4.55 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 2 Q 8.40 4.60 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 3 A 8.55 4.68 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 4 S 8.89 5.16 0.00 3.70 3.71 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 5 V 8.57 4.25 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 0.86 0.00 0.00 0.92 0.00 0.00 6 V 8.74 4.88 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 1.06 0.00 0.00 0.97 0.00 0.00 7 A 8.89 4.50 1.32 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 0.00 0.00 0.00 8 N 9.25 4.69 0.00 2.70 2.97 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.61 4.62 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 L 8.53 4.16 0.00 1.67 1.62 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.78 4.41 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.90 0.00 0.00 12 P 0.00 4.71 0.00 1.93 1.97 0.00 3.68 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 2.02 2.07 0.00 13 I 8.34 3.81 1.87 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 1.34 0.74 0.91 0.00 0.00 14 N 8.45 4.29 0.00 2.89 2.86 0.00 0.00 6.76 7.42 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 15 T 7.51 4.72 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 1.21 0.00 0.00 16 C 8.66 4.64 0.00 2.86 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 17 L 8.98 4.36 0.00 1.76 1.58 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.29 4.91 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 19 L 8.53 4.06 0.00 1.73 1.76 0.92 0.88 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 20 V 7.66 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 21 M 8.09 4.26 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 22 M 7.76 5.27 0.00 1.79 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.86 4.69 0.00 1.85 2.04 0.00 2.70 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 24 S 8.37 5.15 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.67 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 26 V 8.37 4.47 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 0.87 0.00 0.00 0.93 0.00 0.00 27 V 8.23 4.62 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.06 4.62 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 29 P 0.00 4.47 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.16 3.88 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 0.93 0.00 0.00 31 G 8.51 4.37 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 0.00 32 I 8.61 4.03 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.62 0.78 0.00 0.00 33 P 0.00 4.73 0.00 2.14 2.21 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 34 A 8.90 4.02 1.35 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 35 E 8.17 4.07 0.00 2.15 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 2.30 2.43 0.00 36 D 8.20 4.71 0.00 2.97 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 37 I 7.72 3.68 1.94 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 1.51 0.56 0.91 0.00 0.00 38 P 0.00 4.37 0.00 2.17 2.13 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 39 R 7.93 4.03 0.00 1.85 2.29 0.00 3.23 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 40 L 7.93 4.21 0.00 2.12 1.70 0.89 0.87 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 41 V 6.75 3.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.03 0.00 0.00 42 S 9.11 4.08 0.00 4.06 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 43 M 7.98 4.47 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 44 Q 8.43 5.34 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 45 V 8.21 4.69 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 0.76 0.00 0.00 0.96 0.00 0.00 46 N 8.88 4.94 0.00 2.72 2.92 0.00 0.00 6.71 7.68 0.00 0.00 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 R 7.56 4.78 0.00 1.77 1.88 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 48 A 8.58 4.25 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 49 V 8.94 4.19 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 0.97 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.64 0.00 2.10 1.96 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 L 8.44 3.99 0.00 1.57 1.59 0.99 1.08 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 52 G 8.93 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 T 7.58 4.25 4.27 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 1.19 0.00 0.00 54 T 8.37 4.46 4.22 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 1.23 0.00 0.00 55 L 8.82 4.15 0.00 1.58 1.48 0.88 0.52 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 56 M 8.44 4.77 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 57 P 0.00 4.00 0.00 2.26 2.40 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 58 D 7.98 4.59 0.00 2.79 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 59 M 8.20 4.21 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 60 V 7.34 4.63 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 1.07 0.00 0.00 0.79 0.00 0.00 61 K 8.90 4.07 0.00 1.77 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.07 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.54 4.32 0.00 2.85 2.88 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 64 A 7.48 4.29 1.07 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 0.00 0.00 65 A 8.19 4.06 1.17 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 0.00 0.00