NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7035 8.2827 119.2072 53.2326 39.4094 174.5204 2 E 3.7228 8.6913 128.0099 58.3839 30.4060 177.9053 3 C 4.3985 8.8804 119.2318 59.8895 43.3283 175.5015 4 V 3.8395 8.1281 117.9642 65.5692 31.4213 177.8083 5 S 4.0164 7.8755 114.7152 61.8679 62.6435 175.8000 6 K 4.0669 7.8536 116.0194 56.5593 31.6817 177.5841 7 G 3.6988 8.8647 107.9621 45.3426 0.0000 174.1487 8 F 5.1547 7.6946 119.9468 57.1850 42.2752 174.7103 9 G 4.2150 8.3368 105.5014 46.8706 0.0000 172.2235 10 C 5.3508 8.8034 118.0333 56.3165 36.8873 173.3444 11 L 4.8371 8.6870 120.3456 52.6334 46.3278 174.0045 12 P 4.5587 0.0000 0.0000 62.6766 32.3796 177.5048 13 Q 3.9973 8.8263 120.4454 59.2362 28.7516 179.1507 14 S 4.3067 8.0487 110.2576 60.1235 63.2173 174.1794 15 D 4.7001 8.1305 120.0412 54.1916 41.2341 175.5522 16 C 4.6848 7.8573 118.8431 53.8183 44.7888 171.6253 17 P 4.4301 0.0000 0.0000 62.5569 31.8008 177.4967 18 Q 3.8819 8.8452 122.2670 59.6010 29.1061 179.6451 19 E 3.8966 8.0880 115.3220 58.9441 29.8990 177.6503 20 A 4.2047 8.0169 120.4771 53.1346 19.1111 177.6480 21 R 4.4963 7.2995 115.0588 55.8341 30.7382 175.8754 22 L 4.5657 8.2841 120.1862 52.8573 44.9993 177.1862 23 S 4.3006 7.6856 113.5169 59.0628 63.6912 174.3681 24 Y 4.4280 6.9226 119.2227 57.9983 38.3836 175.8459 25 G 3.9125 8.6541 112.2127 44.6929 0.0000 173.6012 26 G 4.0337 8.7697 106.6648 45.7225 0.0000 174.9993 27 C 4.7681 7.9362 116.4581 55.7362 41.4605 174.1195 28 S 4.1894 8.6678 119.7105 60.6303 64.0923 174.7203 29 T 4.6492 7.3156 106.8498 61.3887 67.5771 177.7741 30 V 4.5660 8.2538 111.7242 59.1757 35.8474 172.4427 31 C 4.8271 8.6742 123.9086 56.6750 44.2547 172.6788 32 C 5.1818 9.1746 125.7252 54.8533 44.3005 172.5444 33 D 4.6296 8.5959 125.8078 52.9550 40.3060 176.7616 34 L 4.1734 8.7022 126.7833 57.0991 42.1066 179.8793 35 S 4.2513 7.8914 111.5779 60.5630 62.9216 175.0896 36 K 4.3580 7.8638 119.0367 56.2638 32.1011 176.5319 37 L 4.3613 7.6931 120.4792 54.1814 42.3891 176.3360 38 T 4.5153 8.5315 112.2385 60.4984 71.6727 174.3916 39 G 3.9848 8.6988 107.7021 45.0520 0.0000 174.7920 40 C 4.0924 8.5353 117.8555 59.8139 38.5259 175.6456 41 K 4.2534 7.5630 121.7725 58.9863 31.5830 178.7186 42 G 3.7489 8.1103 104.3904 47.2918 0.0000 174.5347 43 K 4.4831 7.6182 117.5635 55.8525 32.3724 177.5850 44 G 3.8832 8.1692 107.8670 44.9678 0.0000 173.9752 45 G 3.9933 7.8438 107.9121 44.9731 0.0000 172.3592 46 E 4.8873 9.2119 119.8889 54.2032 33.1089 174.0526 47 C 5.0399 8.9843 124.4685 57.3346 36.9065 172.6397 48 N 5.3263 9.4278 120.6595 50.3792 43.2697 172.0970 49 P 4.6495 0.0000 0.0000 62.9723 31.9552 177.6222 50 L 3.9524 8.4978 124.7985 57.7895 42.1551 177.6030 51 D 4.8208 7.8596 115.5305 53.6574 41.1090 176.0555 52 R 4.0136 7.7744 121.0960 56.0381 30.4550 175.9989 53 Q 4.1292 8.7298 127.1390 56.1682 29.4649 173.6452 54 C 4.6209 8.1597 118.2817 54.4227 45.3010 172.9995 55 K 4.1848 7.9414 121.2786 55.5937 32.1644 174.8366 56 E 4.6070 8.5238 129.0566 55.5444 31.0641 176.4096 57 L 4.3459 8.6750 127.6671 53.4131 41.0662 177.1099 58 Q 3.9400 8.6019 123.3090 58.8934 28.6850 178.3202 59 A 4.0187 7.9718 119.8445 54.3843 18.4981 178.3400 60 E 4.3407 8.0942 115.7615 57.2619 29.9318 178.3891 61 S 4.1332 7.8049 115.9111 61.1355 62.6166 175.9673 62 A 4.1111 7.9120 123.3004 54.2249 18.4202 178.2164 63 S 4.2860 7.8287 109.1051 59.6877 63.4562 173.7580 64 C 4.6151 7.5797 119.5302 55.3905 40.4143 173.0775 65 G 3.9077 8.2333 110.1443 44.9277 0.0000 174.9126 66 K 3.8979 8.6366 120.5148 58.7728 32.5946 177.6199 67 G 4.0297 8.0626 106.0835 45.1905 0.0000 172.2032 68 Q 5.3465 8.1180 118.4741 53.7512 32.8012 174.1194 69 K 4.6475 9.2641 119.0028 55.9693 37.1334 173.9476 70 C 5.1572 9.2305 120.9444 55.3739 40.2169 171.6386 71 C 5.2684 8.7622 123.6403 54.9243 43.2834 173.0315 72 V 4.3746 7.7300 121.6981 60.8222 33.1594 174.8532 73 W 4.9365 8.5688 127.6594 55.3281 30.6319 176.2505 74 L 4.3856 8.7118 121.6142 54.9334 41.4253 176.3062 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 N 8.28 4.70 0.00 2.76 2.83 0.00 0.00 6.71 6.77 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 2 E 8.69 3.72 0.00 2.15 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 0.00 2.27 2.31 0.00 3 C 8.88 4.40 0.00 3.26 3.37 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 4 V 8.13 3.84 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 5 S 7.88 4.02 0.00 4.05 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 6 K 7.85 4.07 0.00 1.68 1.70 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.30 7.81 7 G 8.86 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.69 5.15 0.00 3.38 3.19 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 9 G 8.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 5.35 0.00 2.90 3.04 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 0.00 0.00 0.00 11 L 8.69 4.84 0.00 1.57 1.50 0.94 0.97 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 12 P 0.00 4.56 0.00 2.18 1.98 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 13 Q 8.83 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 14 S 8.05 4.31 0.00 3.98 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 15 D 8.13 4.70 0.00 2.78 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 16 C 7.86 4.68 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 17 P 0.00 4.43 0.00 2.20 1.96 0.00 3.68 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 2.11 2.08 0.00 18 Q 8.85 3.88 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 19 E 8.09 3.90 0.00 1.95 1.97 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 2.29 2.34 0.00 20 A 8.02 4.20 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 21 R 7.30 4.50 0.00 1.80 1.79 0.00 3.07 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 22 L 8.28 4.57 0.00 1.15 0.74 -0.19 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.69 4.30 0.00 3.87 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 24 Y 6.92 4.43 0.00 3.06 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 25 G 8.65 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 4.03 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 0.00 0.00 0.00 27 C 7.94 4.77 0.00 2.99 3.04 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 0.00 0.00 0.00 28 S 8.67 4.19 0.00 3.87 3.93 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 29 T 7.32 4.65 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 1.22 0.00 0.00 30 V 8.25 4.57 2.05 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 0.71 0.00 0.00 1.01 0.00 0.00 31 C 8.67 4.83 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.17 5.18 0.00 2.98 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 D 8.60 4.63 0.00 2.40 2.55 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 34 L 8.70 4.17 0.00 1.88 1.75 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.89 4.25 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 36 K 7.86 4.36 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.62 7.81 37 L 7.69 4.36 0.00 1.76 1.60 0.99 0.61 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 38 T 8.53 4.52 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 39 G 8.70 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 0.00 0.00 0.00 40 C 8.54 4.09 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.25 0.00 1.87 1.81 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.40 7.81 42 G 8.11 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 43 K 7.62 4.48 0.00 1.76 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.69 7.81 44 G 8.17 3.88 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 0.00 0.00 0.00 45 G 7.84 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 46 E 9.21 4.89 0.00 2.13 1.97 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 2.31 2.37 0.00 47 C 8.98 5.04 0.00 2.93 3.04 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 0.00 0.00 0.00 48 N 9.43 5.33 0.00 2.62 2.79 0.00 0.00 6.57 7.97 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 49 P 0.00 4.65 0.00 2.11 2.01 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 50 L 8.50 3.95 0.00 1.70 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.86 4.82 0.00 2.71 2.67 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 52 R 7.77 4.01 0.00 1.93 1.99 0.00 3.41 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 53 Q 8.73 4.13 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 54 C 8.16 4.62 0.00 2.41 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.18 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 E 8.52 4.61 0.00 1.94 1.76 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 2.23 2.36 0.00 57 L 8.67 4.35 0.00 1.55 1.56 0.86 0.72 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 58 Q 8.60 3.94 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 59 A 7.97 4.02 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 60 E 8.09 4.34 0.00 1.97 2.05 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 2.25 2.46 0.00 61 S 7.80 4.13 0.00 3.93 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 62 A 7.91 4.11 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 63 S 7.83 4.29 0.00 4.03 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 64 C 7.58 4.62 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 65 G 8.23 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 3.90 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 67 G 8.06 4.03 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 0.00 0.00 0.00 68 Q 8.12 5.35 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 69 K 9.26 4.65 0.00 1.83 1.86 0.00 1.26 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 70 C 9.23 5.16 0.00 2.94 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.76 5.27 0.00 2.43 1.75 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 72 V 7.73 4.37 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 0.72 0.00 0.00 0.81 0.00 0.00 73 W 8.57 4.94 0.00 3.36 3.08 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 0.00 0.00 0.00 0.00 74 L 8.71 4.39 0.00 1.68 1.59 0.93 0.86 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