NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3623 8.1744 110.9436 61.2008 70.6225 173.5244 6 N 4.8176 7.8531 120.6134 52.9878 39.4332 173.0515 7 S 4.4496 8.8501 113.0257 57.6673 64.8586 173.3002 8 D 4.8340 8.6039 121.8476 55.0577 41.9778 175.1888 9 F 5.3008 7.9244 114.1060 55.6735 41.6581 173.7237 10 V 4.5963 8.9173 111.1073 59.4893 35.8010 175.0848 11 V 4.8225 8.6614 123.2509 61.2734 34.1117 174.3631 12 I 4.9348 9.0080 128.5963 59.4228 40.6134 174.1063 13 K 5.0323 8.9998 128.9123 54.4363 34.2702 175.0804 14 A 4.4629 8.7591 130.3172 52.0016 19.2623 177.3766 15 L 4.6859 8.8417 122.3626 54.3184 42.5218 175.9278 16 E 4.6708 7.6552 115.5645 55.1097 32.0609 174.5423 17 D 4.4592 8.3581 119.5129 55.6451 41.3463 177.1593 18 G 3.8888 8.4374 109.7877 45.3146 0.0000 173.9419 19 V 3.8438 7.5678 119.4300 63.5426 32.7880 174.3483 20 N 5.3221 9.0522 124.1131 51.5074 41.5595 173.6328 21 V 4.4353 8.7309 125.1057 61.5648 33.0584 174.1868 22 I 4.5820 8.5268 130.3995 59.3367 39.3559 175.3524 23 G 3.9727 8.9114 115.4074 45.5547 0.0000 172.3306 24 L 5.4758 8.6942 125.6179 52.8317 44.1239 176.2556 25 T 4.4914 8.8492 114.7745 62.0546 69.0878 174.1649 26 R 4.5873 7.8259 126.2545 56.8413 29.8987 175.3460 27 G 3.7492 8.7125 109.2989 44.2145 0.0000 173.9283 28 A 4.1429 8.6093 121.6381 54.1915 18.7387 177.5818 29 D 4.8441 7.2665 112.0338 53.1117 42.6814 176.2432 30 T 4.6932 8.2882 122.0161 61.6014 69.7545 172.7252 31 R 4.7241 9.1246 123.2416 53.9897 33.8016 174.0659 32 F 5.5145 8.6479 117.5900 57.3580 39.4840 175.8677 33 H 4.9966 8.7022 117.4018 55.9243 30.3853 173.7132 34 H 4.6182 7.4896 116.5745 55.2978 33.2142 172.0981 35 S 4.8408 8.3096 119.6724 56.3694 64.6142 172.4463 36 E 4.3387 9.1355 129.8074 55.2387 30.8532 174.9170 37 K 4.8359 8.6066 126.7545 55.3749 33.4815 175.8832 38 L 4.9291 8.9683 125.5431 53.0717 44.5589 176.1697 39 D 4.9353 8.9402 122.8282 52.8500 42.9391 175.9657 40 K 4.0631 8.8648 122.4681 58.2952 32.3457 177.1556 41 G 4.0228 9.1192 115.9151 45.0801 0.0000 173.4208 42 E 4.3181 8.1459 119.5976 56.0866 30.9109 175.8862 43 V 4.9400 8.2970 122.0333 61.0138 34.3633 174.3054 44 L 4.7623 9.1451 129.3393 53.2572 45.0023 174.8196 45 I 5.0680 8.5206 126.4497 59.5867 39.2699 174.7412 46 A 4.7393 9.0529 129.1076 50.1094 22.1380 175.3842 47 Q 4.8419 8.5971 120.2660 55.0055 30.4070 175.7807 48 F 4.6201 8.5437 120.2114 58.0443 38.5051 175.3584 49 T 4.6839 8.8095 110.8818 60.1834 71.8819 173.6732 50 E 4.0709 9.0421 120.9737 59.6709 29.5879 177.7053 51 H 4.5317 7.7972 112.5371 56.2411 29.8979 174.2769 52 T 5.1340 8.1652 116.7222 61.8995 71.1379 174.3787 53 S 5.0357 8.9015 119.8919 57.9327 64.7833 173.4140 54 A 5.1771 7.9438 121.1970 51.2667 22.4279 175.2762 55 I 4.8939 8.6292 121.4810 59.2670 40.4259 174.8744 56 K 4.5704 8.9028 127.3031 54.4918 35.0510 174.6030 57 V 4.7957 8.4511 126.7711 61.2096 33.5568 174.5542 58 R 4.5640 9.0758 127.0887 55.5784 32.8674 176.3700 59 G 4.1463 9.0099 108.8569 44.3064 0.0000 172.5086 60 K 4.5588 9.2824 120.9648 56.0064 33.1450 175.6029 61 A 5.0887 8.7922 127.5124 51.0531 23.3938 173.7915 62 Y 4.9423 9.2189 122.0511 56.0729 41.0310 174.5787 63 I 4.8961 8.4331 127.1269 59.4957 40.9918 174.2722 64 Q 4.9807 8.8341 125.6891 54.3531 31.8327 174.9460 65 T 4.8660 8.5852 112.9515 59.7425 72.4153 174.5937 66 R 3.7534 8.4979 120.3747 59.4809 30.0111 176.6509 67 H 4.7096 8.2623 112.8662 55.2786 29.4073 174.6219 68 G 3.7554 6.7949 106.7928 44.1887 0.0000 173.2173 69 V 4.7823 7.7684 113.2053 59.9488 35.2397 174.9964 70 I 4.3725 8.0479 120.7635 60.2732 41.9530 172.7228 71 E 5.2979 8.6412 126.1400 54.4833 32.1413 176.2243 72 S 4.5706 8.8833 119.2598 58.0935 65.2041 172.9061 73 E 4.8990 8.5214 119.5040 54.7092 32.3966 176.0755 74 G 3.9865 8.6726 111.7466 45.2185 0.0000 173.5447 75 K 4.1094 8.1899 119.8619 57.1064 32.2822 174.4245 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 5 T 8.17 4.36 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 1.22 0.00 0.00 6 N 7.85 4.82 0.00 2.78 2.83 0.00 0.00 7.10 6.75 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 7 S 8.85 4.45 0.00 4.09 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 8 D 8.60 4.83 0.00 2.75 2.77 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 9 F 7.92 5.30 0.00 2.99 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 10 V 8.92 4.60 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 0.63 0.00 0.00 0.86 0.00 0.00 11 V 8.66 4.82 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 1.17 0.00 0.00 1.16 0.00 0.00 12 I 9.01 4.93 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.91 0.00 0.00 13 K 9.00 5.03 0.00 1.93 1.84 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.76 4.46 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 L 8.84 4.69 0.00 1.65 1.70 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.67 0.00 2.03 1.89 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 2.19 2.32 0.00 17 D 8.36 4.46 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 19 V 7.57 3.84 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 0.89 0.00 0.00 1.04 0.00 0.00 20 N 9.05 5.32 0.00 2.63 2.59 0.00 0.00 6.40 7.19 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 21 V 8.73 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 0.85 0.00 0.00 0.90 0.00 0.00 22 I 8.53 4.58 1.35 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.34 -0.54 0.00 0.00 23 G 8.91 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 24 L 8.69 5.48 0.00 1.89 1.71 0.89 0.67 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 25 T 8.85 4.49 4.32 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 1.38 0.00 0.00 26 R 7.83 4.59 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.71 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 0.00 0.00 0.00 28 A 8.61 4.14 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 29 D 7.27 4.84 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.29 4.69 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 1.28 0.00 0.00 31 R 9.12 4.72 0.00 1.80 2.00 0.00 2.78 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.65 5.51 0.00 2.89 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 33 H 8.70 5.00 0.00 3.15 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.49 4.62 0.00 3.30 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.31 4.84 0.00 3.73 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.34 0.00 2.14 1.78 0.00 0.00 0.00 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 2.33 0.00 37 K 8.61 4.84 0.00 1.64 1.72 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.97 4.93 0.00 1.52 1.54 0.92 0.92 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 39 D 8.94 4.94 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.06 0.00 1.68 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.12 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 4.32 0.00 2.10 1.87 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 2.32 2.25 0.00 43 V 8.30 4.94 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.15 4.76 0.00 1.71 1.45 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.07 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.69 0.00 0.00 46 A 9.05 4.74 1.12 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.60 4.84 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.54 4.62 0.00 3.01 2.99 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 49 T 8.81 4.68 4.30 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 1.29 0.00 0.00 50 E 9.04 4.07 0.00 1.93 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 2.05 2.28 0.00 51 H 7.80 4.53 0.00 3.23 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.13 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 1.31 0.00 0.00 53 S 8.90 5.04 0.00 3.85 4.09 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 0.00 0.00 0.00 0.00 54 A 7.94 5.18 1.31 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 0.00 0.00 55 I 8.63 4.89 1.82 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 1.10 0.63 0.82 0.00 0.00 56 K 8.90 4.57 0.00 1.77 1.46 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.35 7.81 57 V 8.45 4.80 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.08 4.56 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 59 G 9.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 4.56 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.79 5.09 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 62 Y 9.22 4.94 0.00 3.04 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 63 I 8.43 4.90 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.87 0.00 0.00 64 Q 8.83 4.98 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 65 T 8.59 4.87 4.12 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 0.00 0.00 1.15 0.00 0.00 66 R 8.50 3.75 0.00 1.59 1.71 0.00 3.14 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.26 4.71 0.00 3.19 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.79 3.76 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 0.00 0.00 0.00 69 V 7.77 4.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.96 0.00 0.00 70 I 8.05 4.37 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.84 0.00 0.00 71 E 8.64 5.30 0.00 1.89 1.87 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 2.50 2.44 0.00 72 S 8.88 4.57 0.00 3.94 3.98 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 0.00 0.00 0.00 73 E 8.52 4.90 0.00 1.82 1.86 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 2.21 2.30 0.00 74 G 8.67 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 0.00 0.00 0.00 75 K 8.19 4.11 0.00 1.67 1.62 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.30 7.81