NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3513 8.3044 120.3424 56.2264 32.8735 174.0714 2 Q 5.0024 7.7862 120.7882 54.4825 32.0123 171.8447 3 I 4.1997 8.2027 117.8675 59.7432 41.8401 173.9763 4 F 4.9083 8.4314 124.5344 57.2081 41.1574 175.5161 5 V 5.4031 8.4063 119.0066 61.5790 32.9412 171.5370 6 K 4.5529 8.5237 126.9031 55.5651 33.4978 176.0888 7 T 4.6542 7.7619 119.0388 60.4836 71.3339 173.7611 8 L 4.0116 8.4698 121.7082 58.8033 42.4902 178.6051 9 T 4.2559 7.6908 114.2911 62.5374 69.2110 175.5930 10 G 3.7949 8.6040 112.1634 47.9929 0.0000 174.2338 11 K 3.8288 7.5303 120.2324 57.5755 32.5301 175.3544 12 T 4.9093 8.1994 121.0256 61.8536 72.6906 172.9749 13 I 4.7944 8.1278 115.5905 59.7452 41.3986 174.1926 14 T 5.1198 8.5770 119.3258 62.2451 71.2103 173.7425 15 L 4.9387 8.4333 122.5661 53.1366 46.6748 175.3098 16 E 4.9111 8.6878 120.0963 54.9212 31.8949 175.7790 17 V 4.4019 8.2109 116.3763 60.5657 36.0848 172.8736 18 E 4.7487 9.8186 120.8053 53.6667 32.1456 175.7915 19 P 4.1364 0.0000 0.0000 65.1644 31.3680 177.3958 20 S 4.5050 7.7478 109.8647 57.8836 63.8159 173.6990 21 D 4.4046 8.2323 122.5880 54.5590 39.6360 175.8617 22 T 4.3708 8.3277 115.1794 61.9976 70.2880 174.4835 23 I 3.7193 8.6503 123.5052 64.6264 37.4126 178.0614 24 E 4.0401 8.0851 119.5546 59.6213 29.5366 178.4442 25 N 4.2793 7.8215 114.9157 56.5578 38.7134 177.6219 26 V 3.6038 7.5661 118.9070 65.8751 31.5342 177.8085 27 K 4.2417 7.8900 114.3072 57.6414 32.1808 177.7471 28 A 4.5513 7.5361 121.4140 53.4228 20.2388 179.0226 29 K 4.0897 7.9111 116.1093 59.2239 32.2458 179.3665 30 I 3.9886 7.6979 120.4339 64.1363 37.2679 178.2161 31 Q 4.1167 8.0678 117.6703 58.9897 28.0962 177.5409 32 D 4.6763 7.5403 117.9325 55.3611 41.1034 176.6569 33 K 4.6952 8.1662 116.9595 55.8238 33.9469 176.3695 34 E 4.5089 8.0625 115.6042 55.4297 33.4830 176.5259 35 G 3.9008 8.1877 105.6385 45.0198 0.0000 173.2752 36 I 3.9195 7.3821 120.8364 59.9126 37.1718 174.1134 37 P 4.3160 0.0000 0.0000 62.2861 32.1260 175.4867 38 P 4.2918 0.0000 0.0000 65.9041 31.3414 177.9960 39 D 4.7887 7.9075 115.1218 53.7618 39.3134 176.6190 40 Q 4.7155 8.4431 115.3291 56.4133 32.9284 174.2193 41 Q 4.9563 7.7379 114.7569 54.2447 31.2801 175.2323 42 R 4.6682 8.7268 120.8793 54.3212 33.6143 174.7777 43 L 4.7986 8.5189 123.7266 54.4597 43.4636 175.8584 44 I 4.8251 9.1489 123.1606 59.6630 41.7286 174.6870 45 F 4.7803 9.0839 127.6363 57.0312 42.3642 173.9313 46 A 3.4164 8.4432 130.7701 54.4437 15.5641 176.5324 47 G 3.9925 7.6994 105.2596 44.8665 0.0000 172.6561 48 K 4.3771 7.4893 117.4898 54.7006 35.7270 174.0548 49 Q 4.6085 8.5806 125.3632 55.7599 29.3157 175.8678 50 L 3.7414 7.9776 124.5971 54.3855 42.2251 176.6038 51 E 4.4975 9.0529 121.5344 55.5050 31.2700 177.5883 52 D 4.1863 8.8554 122.2343 57.4388 41.2169 179.2065 53 G 3.6530 8.0151 106.6894 47.7921 0.0000 173.9198 54 R 4.1956 7.6091 119.4113 55.9074 30.9721 175.1449 55 T 4.8043 7.6540 108.8223 59.7146 71.2579 175.0134 56 L 4.3744 7.9904 119.6012 55.8773 41.7299 178.9346 57 S 4.5115 7.7186 114.2600 59.2695 64.3607 175.6654 58 D 4.4170 7.5720 118.9876 55.7875 40.4228 176.0804 59 Y 4.7719 7.2809 114.3808 56.6041 39.6377 174.7250 60 N 4.1952 7.9020 116.1324 54.2145 36.6878 174.3268 61 I 3.8335 7.5633 118.6161 60.4980 37.7312 175.7531 62 Q 4.6636 8.0755 123.6253 53.0447 32.0134 174.2445 63 K 3.8074 8.3673 118.8789 58.8664 32.1811 176.2248 64 E 3.5673 8.0152 123.2499 56.9740 27.4496 174.3818 65 S 4.6140 7.2622 114.2311 58.0858 64.4247 173.0167 66 T 5.0538 8.4037 118.0909 61.8577 71.2812 173.5818 67 L 4.6648 8.9041 127.9213 53.6116 43.6468 175.9377 68 H 5.1910 9.1136 122.0108 55.0256 30.0636 174.3323 69 L 4.7395 8.6386 126.0347 53.7526 42.7135 175.1951 70 V 4.2087 8.5810 127.9589 61.0813 33.0376 174.8889 71 L 4.4727 8.5464 128.9163 54.2630 41.8729 178.3635 72 R 4.1009 8.3204 129.8137 55.5530 27.0121 175.8563 73 L 4.0112 7.8728 122.7958 56.9924 42.8745 177.7553 74 R 3.7505 7.9241 119.4927 57.1931 30.2984 176.3730 75 G 4.1940 8.4818 115.2637 43.8600 0.0000 173.3017 76 G 3.7079 8.3365 107.5331 45.7077 0.0000 172.6219 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 M 8.30 4.35 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 2 Q 7.79 5.00 0.00 2.38 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 1.84 2.57 0.00 3 I 8.20 4.20 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.75 0.00 0.00 4 F 8.43 4.91 0.00 3.06 2.98 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 5 V 8.41 5.40 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 1.06 0.00 0.00 0.97 0.00 0.00 6 K 8.52 4.55 0.00 1.94 1.77 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.43 7.81 7 T 7.76 4.65 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 1.22 0.00 0.00 8 L 8.47 4.01 0.00 1.59 1.73 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.69 4.26 4.23 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 1.20 0.00 0.00 10 G 8.60 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.53 3.83 0.00 1.84 1.71 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.20 4.91 4.17 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 1.17 0.00 0.00 13 I 8.13 4.79 1.90 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 1.26 0.93 0.97 0.00 0.00 14 T 8.58 5.12 4.36 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 1.46 0.00 0.00 15 L 8.43 4.94 0.00 1.63 1.48 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.91 0.00 1.80 1.83 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 0.00 2.19 2.24 0.00 17 V 8.21 4.40 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 0.64 0.00 0.00 0.88 0.00 0.00 18 E 9.82 4.75 0.00 1.85 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 0.00 2.19 2.36 0.00 19 P 0.00 4.14 0.00 2.01 2.13 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 20 S 7.75 4.51 0.00 3.94 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 21 D 8.23 4.40 0.00 2.87 2.68 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 0.00 0.00 0.00 0.00 22 T 8.33 4.37 4.42 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 1.21 0.00 0.00 23 I 8.65 3.72 2.23 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 1.75 1.06 0.94 0.00 0.00 24 E 8.09 4.04 0.00 2.21 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 2.31 2.37 0.00 25 N 7.82 4.28 0.00 2.98 2.88 0.00 0.00 6.78 7.56 0.00 0.00 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 V 7.57 3.60 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 1.01 0.00 0.00 0.97 0.00 0.00 27 K 7.89 4.24 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.56 7.81 28 A 7.54 4.55 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 29 K 7.91 4.09 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.62 7.81 30 I 7.70 3.99 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 0.97 0.00 0.00 31 Q 8.07 4.12 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 32 D 7.54 4.68 0.00 2.90 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 33 K 8.17 4.70 0.00 1.67 1.77 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.38 7.81 34 E 8.06 4.51 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 35 G 8.19 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.38 3.92 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.32 0.00 2.17 1.99 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.29 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 39 D 7.91 4.79 0.00 2.79 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 40 Q 8.44 4.72 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 7.74 4.96 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 42 R 8.73 4.67 0.00 1.75 1.82 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.52 4.80 0.00 1.53 1.55 0.93 0.78 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 44 I 9.15 4.83 1.92 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 1.12 1.00 0.92 0.00 0.00 45 F 9.08 4.78 0.00 2.98 2.79 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 0.00 0.00 0.00 0.00 46 A 8.44 3.42 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 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 48 K 7.49 4.38 0.00 1.95 1.70 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 Q 8.58 4.61 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 7.98 3.74 0.00 1.36 1.20 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.05 4.50 0.00 2.06 1.93 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 2.49 2.55 0.00 52 D 8.86 4.19 0.00 2.80 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 G 8.02 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 54 R 7.61 4.20 0.00 2.04 1.69 0.00 2.98 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 55 T 7.65 4.80 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 1.25 0.00 0.00 56 L 7.99 4.37 0.00 1.65 1.68 0.86 0.84 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 57 S 7.72 4.51 0.00 3.90 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 58 D 7.57 4.42 0.00 2.38 2.23 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 59 Y 7.28 4.77 0.00 2.91 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 N 7.90 4.20 0.00 3.00 2.96 0.00 0.00 6.92 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.56 3.83 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.23 0.47 0.00 0.00 62 Q 8.08 4.66 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 63 K 8.37 3.81 0.00 1.64 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.49 7.81 64 E 8.02 3.57 0.00 2.25 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 0.00 2.28 2.43 0.00 65 S 7.26 4.61 0.00 3.99 3.58 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 66 T 8.40 5.05 4.38 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 1.38 0.00 0.00 67 L 8.90 4.66 0.00 1.78 1.60 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.11 5.19 0.00 3.26 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.64 4.74 0.00 1.65 1.63 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.58 4.21 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 0.90 0.00 0.00 0.95 0.00 0.00 71 L 8.55 4.47 0.00 1.57 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.32 4.10 0.00 1.78 1.86 0.00 3.31 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 73 L 7.87 4.01 0.00 1.68 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.92 3.75 0.00 1.76 1.88 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 75 G 8.48 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 0.00 0.00 0.00 76 G 8.34 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 0.00 0.00 0.00