NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9426 8.3393 109.7362 44.9022 0.0000 173.8202 3 S 4.1315 8.1354 114.1463 57.8801 64.8020 170.3883 4 V 3.6062 8.4741 116.8531 64.1551 31.6937 179.5316 5 E 3.9033 8.2086 118.9443 59.7572 29.3778 178.6938 6 D 4.3547 7.8261 117.7550 57.1662 40.7329 179.0828 7 R 3.9581 8.2839 119.1949 59.0060 30.0363 179.1634 8 V 3.5720 8.0238 118.2830 66.3323 31.5653 178.2500 9 T 4.0301 8.1391 115.7117 66.5612 68.2166 176.5157 10 Q 3.9137 7.9081 121.3179 59.2444 29.0811 178.0384 11 L 3.9687 8.1842 120.3251 57.9647 41.5158 179.5552 12 E 3.9366 8.3657 118.5039 59.1427 29.4340 179.0703 13 R 3.8605 7.9508 118.7924 59.6474 30.0400 178.6707 14 I 3.6406 7.8239 119.3779 64.2929 37.0980 178.1577 15 S 4.0155 8.2189 114.2934 61.6024 62.2047 176.0230 16 N 4.3022 8.3953 118.8477 56.3243 38.3243 177.1350 17 A 4.0185 8.0906 122.0522 55.6476 18.3821 179.4108 18 H 4.2133 8.5870 114.9209 59.0641 28.8131 178.1062 19 S 4.1348 8.2614 117.0283 61.6248 62.6712 176.6269 20 Q 3.9263 8.0268 121.8833 59.1928 28.8783 178.1677 21 L 3.9863 7.9836 119.9329 57.8283 41.6031 179.4543 22 L 3.9763 8.2450 119.1693 58.1043 41.6814 179.5785 23 T 3.8629 7.7724 115.3121 67.0798 68.4633 176.7147 24 Q 4.0326 8.2301 119.6796 58.4872 28.5844 178.3678 25 L 3.8926 8.3815 121.9606 58.3344 42.1559 178.8329 26 Q 3.9782 8.3143 118.2216 59.2787 28.6995 179.0619 27 Q 3.9727 7.9582 119.8934 59.4403 29.1066 178.4384 28 Q 4.0391 8.1400 119.0643 58.5133 28.6945 178.3285 29 L 3.9411 8.2423 122.1653 58.2386 42.2136 179.3003 30 S 4.3470 8.2405 114.0490 61.3464 62.9436 176.1605 31 D 4.3566 8.1355 122.8670 57.1782 40.4617 178.1705 32 N 4.3400 8.1035 117.6341 56.6285 38.9287 176.9322 33 Q 3.9964 8.5316 119.9784 59.0205 28.7446 178.9335 34 S 4.0548 8.1706 113.9562 61.4769 62.4269 175.7065 35 D 4.3846 8.1465 121.5587 57.5880 40.5069 179.0440 36 I 3.6883 8.1340 120.3929 64.5461 37.1549 178.1034 37 D 4.3619 8.2552 119.7331 57.5135 40.5707 179.2307 38 S 4.1023 8.4511 115.8208 61.6100 62.9071 176.6015 39 L 3.9533 8.0336 121.7154 57.7794 41.2825 179.4282 40 R 3.9526 8.2600 118.8155 59.5996 30.1122 178.5561 41 G 3.6963 8.0924 105.2387 48.1009 0.0000 175.5779 42 Q 4.0382 8.3332 120.3857 58.7557 28.6895 178.8457 43 I 3.7136 8.2633 121.2308 64.5322 37.1530 178.5116 44 Q 4.0601 8.4158 119.1350 58.9978 28.5264 178.7191 45 E 4.0452 8.1236 119.1518 59.4255 29.4192 179.0321 46 N 4.3711 8.4247 116.6449 56.5779 38.6010 177.3849 47 Q 4.0152 8.5346 119.7233 58.9911 28.6406 178.1872 48 Y 4.0265 8.1727 120.4622 61.0934 38.8689 178.4917 49 Q 3.9625 8.3903 118.7562 58.6972 28.6774 178.6588 50 L 3.9621 8.2412 120.6310 57.7640 41.6453 179.0877 51 N 4.2299 8.4334 116.8007 56.5446 38.4786 177.2607 52 Q 3.8821 7.5260 119.2411 59.0127 28.7414 179.3592 53 V 3.5486 7.5924 119.0778 66.0696 31.6161 178.3423 54 V 3.6657 8.0467 118.2345 65.5693 31.2924 177.6793 55 E 3.8596 8.2693 119.3089 59.4696 29.4831 179.1486 56 R 3.9566 8.3970 118.4309 58.9802 30.0019 178.7474 57 Q 3.9418 8.4809 120.0902 59.1298 29.0201 178.5625 58 K 3.9302 7.9668 119.3062 59.6106 32.1011 179.2966 59 Q 3.9836 7.9619 118.1285 59.1226 28.5801 179.0069 60 I 3.7226 8.0689 121.1028 64.3067 37.0949 178.5231 61 L 3.9730 8.0952 119.8795 57.6385 41.4358 179.4443 62 L 3.9618 7.9071 118.9041 57.8723 41.3920 179.4704 63 Q 3.9077 7.9577 117.7583 59.2591 29.3792 177.5412 64 I 3.8291 7.8873 121.1394 65.0581 37.0125 178.0197 65 D 4.3906 8.0537 117.8147 57.3854 40.5289 178.6985 66 S 4.4630 8.2490 115.5786 59.5287 62.7486 173.4500 67 L 4.6499 7.7361 122.6416 53.2008 42.3574 175.9460 68 S 4.6924 8.3736 118.8236 57.3379 62.5481 173.6226 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 G 8.34 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 0.00 0.00 0.00 3 S 8.14 4.13 0.00 4.14 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.61 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 0.76 0.00 0.00 0.93 0.00 0.00 5 E 8.21 3.90 0.00 2.07 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 2.38 2.47 0.00 6 D 7.83 4.35 0.00 2.75 2.70 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 7 R 8.28 3.96 0.00 1.93 1.97 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 8 V 8.02 3.57 2.28 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 1.03 0.00 0.00 0.95 0.00 0.00 9 T 8.14 4.03 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 10 Q 7.91 3.91 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 L 8.18 3.97 0.00 1.85 1.70 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.37 3.94 0.00 2.14 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 2.32 2.43 0.00 13 R 7.95 3.86 0.00 1.97 2.11 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 14 I 7.82 3.64 1.80 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 1.37 0.65 0.73 0.00 0.00 15 S 8.22 4.02 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.30 0.00 2.91 2.85 0.00 0.00 6.95 8.71 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 17 A 8.09 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.59 4.21 0.00 3.37 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.26 4.13 0.00 4.09 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 20 Q 8.03 3.93 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 21 L 7.98 3.99 0.00 1.89 1.69 0.97 0.47 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 22 L 8.25 3.98 0.00 1.81 1.72 0.94 0.59 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 23 T 7.77 3.86 4.51 0.00 0.00 0.00 0.00 0.00 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 24 Q 8.23 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 25 L 8.38 3.89 0.00 1.96 1.78 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.31 3.98 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 27 Q 7.96 3.97 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 28 Q 8.14 4.04 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 29 L 8.24 3.94 0.00 1.90 1.86 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.24 4.35 0.00 4.10 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 31 D 8.14 4.36 0.00 2.88 2.75 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 32 N 8.10 4.34 0.00 2.86 2.92 0.00 0.00 7.19 7.14 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 33 Q 8.53 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 34 S 8.17 4.05 0.00 3.90 4.06 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 0.00 0.00 0.00 0.00 35 D 8.15 4.38 0.00 3.08 2.71 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 36 I 8.13 3.69 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 1.52 0.73 0.91 0.00 0.00 37 D 8.26 4.36 0.00 2.87 2.72 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 38 S 8.45 4.10 0.00 3.98 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 39 L 8.03 3.95 0.00 1.82 1.73 0.92 0.73 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 40 R 8.26 3.95 0.00 1.97 2.11 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 1.63 1.67 0.00 41 G 8.09 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 42 Q 8.33 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 43 I 8.26 3.71 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 1.53 0.66 0.92 0.00 0.00 44 Q 8.42 4.06 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 45 E 8.12 4.05 0.00 2.25 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 0.00 2.28 2.47 0.00 46 N 8.42 4.37 0.00 2.94 2.89 0.00 0.00 7.04 7.67 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 47 Q 8.53 4.02 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 48 Y 8.17 4.03 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.96 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 50 L 8.24 3.96 0.00 1.94 1.70 0.92 0.51 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 51 N 8.43 4.23 0.00 2.68 2.77 0.00 0.00 7.04 7.43 0.00 0.00 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 Q 7.53 3.88 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 53 V 7.59 3.55 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 54 V 8.05 3.67 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 0.92 0.00 0.00 0.91 0.00 0.00 55 E 8.27 3.86 0.00 2.08 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 0.00 2.27 2.36 0.00 56 R 8.40 3.96 0.00 1.83 1.95 0.00 3.17 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 57 Q 8.48 3.94 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 58 K 7.97 3.93 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.68 7.81 59 Q 7.96 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 60 I 8.07 3.72 1.93 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 1.51 0.75 0.90 0.00 0.00 61 L 8.10 3.97 0.00 1.83 1.71 0.91 0.48 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 62 L 7.91 3.96 0.00 1.90 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.96 3.91 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 64 I 7.89 3.83 2.00 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 1.75 0.96 0.91 0.00 0.00 65 D 8.05 4.39 0.00 2.77 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 66 S 8.25 4.46 0.00 4.18 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 67 L 7.74 4.65 0.00 1.57 1.56 0.92 0.68 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 S 8.37 4.69 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00