NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5123 8.3049 120.3278 55.1546 34.1290 175.7408 2 S 4.4441 7.6899 110.8776 57.1294 66.8112 172.1669 3 T 4.5568 8.8517 118.2397 60.9941 70.8837 172.6998 4 K 4.5464 8.1273 124.4331 55.0161 34.5753 175.8315 5 L 4.4387 8.1704 120.9580 55.4213 42.3274 174.0841 6 Y 4.6338 8.6658 122.2054 58.5627 40.7950 174.7616 7 G 3.9302 8.8573 118.2715 45.3905 0.0000 171.0894 8 D 4.8674 7.4956 117.7036 53.1320 43.5400 176.4516 9 V 3.6947 8.4122 124.0407 64.7554 32.1820 177.6970 10 N 4.8212 7.9846 113.9963 51.9886 37.5954 173.7229 11 D 4.4524 7.9661 114.9636 56.1972 39.8179 173.7859 12 D 4.6504 8.5548 117.3097 55.7230 42.5319 175.4068 13 G 4.2509 8.0444 107.0724 45.2453 0.0000 172.7750 14 K 4.4436 7.4770 116.5081 55.9388 35.0645 174.5001 15 V 4.7897 9.1337 121.5639 60.4092 32.0265 174.8737 16 N 4.8019 8.3442 123.0111 51.6449 40.3771 174.3322 17 S 4.1155 9.0109 111.7937 62.2584 62.4279 176.8017 18 T 3.7516 9.1003 116.9817 66.6394 68.5716 174.9270 19 D 4.8595 8.4659 119.9410 54.3714 41.5898 178.5770 20 A 4.0429 8.5836 125.7423 54.9521 18.1119 180.3709 21 V 3.5434 7.8347 116.5007 66.4585 31.6482 178.0227 22 A 4.0841 7.9333 119.6095 54.5797 17.6316 179.0556 23 L 3.8820 7.7386 119.2335 58.1292 42.2620 178.5837 24 K 4.1502 8.8004 119.8840 60.1357 32.1805 178.8388 25 R 4.0073 7.8996 118.0696 59.1541 29.7245 178.4340 26 Y 4.6130 7.9038 120.2023 59.9735 38.9145 177.3737 27 V 3.8656 9.0746 118.6318 66.0016 31.7226 177.3972 28 L 4.1289 7.9328 119.0959 57.0291 42.4404 176.3355 29 R 4.1412 7.2862 112.5156 56.5109 32.4284 173.4582 30 S 4.4940 8.4423 114.7244 56.9512 61.7918 173.6569 31 G 3.8613 8.1827 112.7275 46.2214 0.0000 171.3407 32 I 4.1441 7.4590 112.0213 59.7574 39.2174 174.5450 33 S 4.7562 8.4409 116.1153 56.7249 64.6524 173.8353 34 I 4.9608 7.9456 116.8065 58.3186 40.8648 175.3098 35 N 4.7159 8.0399 119.3575 53.0109 36.9736 176.6038 36 T 3.9793 7.6830 113.2760 63.6680 67.8876 174.7612 37 D 4.3670 6.9643 118.6611 57.7041 41.6569 177.9203 38 N 4.9773 7.8343 114.9403 52.3893 38.0873 176.3423 39 A 4.0139 7.6358 122.3010 54.4495 20.4210 177.9520 40 D 4.8058 7.5659 114.1614 53.3225 42.7516 176.8299 41 L 4.5453 8.0317 121.6905 55.2363 44.0110 177.0701 42 N 4.7923 8.5267 112.7262 53.5378 40.8589 174.3166 43 E 4.4084 8.3757 114.3820 57.3888 26.8245 174.6890 44 D 4.7364 9.7928 118.6975 55.8050 43.7840 176.7231 45 G 4.0013 7.9705 109.3548 45.4123 0.0000 174.1926 46 R 4.4620 7.7240 116.8478 55.7864 33.8105 177.3422 47 V 4.3830 8.0503 119.3480 60.5165 33.9854 174.2848 48 N 4.5245 8.6151 121.9526 54.3274 38.7644 177.0709 49 S 5.7894 7.5554 125.0401 59.5825 64.0761 179.6070 50 T 3.9369 7.4106 117.1321 66.7880 68.2367 176.5165 51 D 4.4316 8.0498 120.2644 57.0061 40.9726 178.1623 52 L 4.0118 8.0228 120.7920 58.6061 41.9470 178.8577 53 G 3.6318 7.7905 104.0389 47.9381 0.0000 175.2885 54 I 3.7775 7.6301 121.7299 64.0587 36.8932 178.3241 55 L 3.9750 8.7909 120.7108 57.5226 41.3788 179.1889 56 K 3.9120 8.2032 117.5146 58.4312 32.5518 178.2080 57 R 4.1809 7.7891 120.4085 59.0085 30.7911 176.9712 58 Y 4.4778 8.3293 117.5750 59.1296 38.4371 177.2117 59 I 3.4580 7.4122 113.7943 62.0439 37.6143 177.2170 60 L 4.0088 7.7189 122.3168 58.0056 41.9052 175.9348 61 K 4.3355 7.5959 121.1953 57.5549 35.6616 175.7509 62 E 3.9326 8.1223 118.8396 58.4132 29.5021 174.8964 63 I 4.1808 7.1032 119.5273 61.7507 37.0051 173.1403 64 D 4.9186 7.8031 135.0000 54.7718 42.8180 176.9648 65 T 4.0724 7.4379 109.0953 61.8065 69.4492 170.2286 66 L 3.2164 7.8688 128.4819 53.9485 39.8707 172.5813 67 P 4.0380 0.0000 0.0000 61.0504 29.7089 176.2640 68 Y 4.1648 6.9799 115.8074 57.9615 38.2491 176.7599 69 K 4.6278 8.2969 124.2525 54.5493 35.5452 174.7505 70 N 4.7371 8.6441 121.9724 52.0913 40.1222 175.2586 71 G 3.7685 8.3941 108.8618 46.4971 0.0000 172.5571 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 4.51 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 S 7.69 4.44 0.00 3.90 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 3 T 8.85 4.56 4.26 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 1.23 0.00 0.00 4 K 8.13 4.55 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 5 L 8.17 4.44 0.00 2.01 1.65 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.67 4.63 0.00 2.74 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.86 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 0.00 0.00 0.00 8 D 7.50 4.87 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.69 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 1.06 0.00 0.00 0.87 0.00 0.00 10 N 7.98 4.82 0.00 2.83 2.86 0.00 0.00 6.04 8.15 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 11 D 7.97 4.45 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.55 4.65 0.00 2.64 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 13 G 8.04 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 0.00 0.00 0.00 0.00 14 K 7.48 4.44 0.00 1.78 1.92 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.10 7.81 15 V 9.13 4.79 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 0.59 0.00 0.00 0.82 0.00 0.00 16 N 8.34 4.80 0.00 2.74 2.86 0.00 0.00 5.75 7.60 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 17 S 9.01 4.12 0.00 3.85 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 18 T 9.10 3.75 4.29 0.00 0.00 0.00 0.00 0.00 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 19 D 8.47 4.86 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.04 1.41 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 0.00 0.00 0.00 21 V 7.83 3.54 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 1.05 0.00 0.00 0.93 0.00 0.00 22 A 7.93 4.08 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 23 L 7.74 3.88 0.00 1.91 1.81 0.92 0.26 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 24 K 8.80 4.15 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 25 R 7.90 4.01 0.00 2.09 1.98 0.00 3.36 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 Y 7.90 4.61 0.00 3.22 3.07 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 27 V 9.07 3.87 2.13 0.00 0.00 0.00 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 1.02 0.00 0.00 28 L 7.93 4.13 0.00 1.96 1.68 0.93 0.97 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 29 R 7.29 4.14 0.00 2.00 1.96 0.00 3.04 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 30 S 8.44 4.49 0.00 3.71 3.67 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 31 G 8.18 3.86 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 0.00 0.00 0.00 32 I 7.46 4.14 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.93 0.00 0.00 33 S 8.44 4.76 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.95 4.96 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.30 1.01 0.00 0.00 35 N 8.04 4.72 0.00 2.78 2.84 0.00 0.00 7.35 7.03 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 36 T 7.68 3.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 37 D 6.96 4.37 0.00 2.75 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 38 N 7.83 4.98 0.00 2.86 3.22 0.00 0.00 6.17 7.41 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 39 A 7.64 4.01 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 40 D 7.57 4.81 0.00 2.81 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.55 0.00 1.58 1.55 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.53 4.79 0.00 3.10 2.74 0.00 0.00 7.14 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 43 E 8.38 4.41 0.00 2.10 2.01 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 2.22 2.27 0.00 44 D 9.79 4.74 0.00 2.56 2.66 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 45 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.46 0.00 1.44 1.43 0.00 2.21 0.00 0.00 2.25 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.14 0.00 47 V 8.05 4.38 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 0.66 0.00 0.00 0.87 0.00 0.00 48 N 8.62 4.52 0.00 2.71 2.88 0.00 0.00 7.09 7.57 0.00 0.00 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 S 7.56 5.79 0.00 3.94 3.92 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 0.00 0.00 0.00 50 T 7.41 3.94 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 1.23 0.00 0.00 51 D 8.05 4.43 0.00 2.81 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 52 L 8.02 4.01 0.00 1.72 1.69 0.89 1.02 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 53 G 7.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.78 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 1.11 0.00 0.00 55 L 8.79 3.97 0.00 1.82 1.57 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.20 3.91 0.00 1.80 1.87 0.00 1.44 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.66 7.81 57 R 7.79 4.18 0.00 1.95 2.05 0.00 3.28 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 58 Y 8.33 4.48 0.00 3.18 3.35 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 59 I 7.41 3.46 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.16 -0.84 0.00 0.00 60 L 7.72 4.01 0.00 1.84 1.73 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.60 4.34 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.25 7.81 62 E 8.12 3.93 0.00 2.23 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 0.00 2.43 2.34 0.00 63 I 7.10 4.18 2.03 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 1.03 0.00 0.00 64 D 7.80 4.92 0.00 2.77 2.66 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 65 T 7.44 4.07 4.20 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 1.12 0.00 0.00 66 L 7.87 3.22 0.00 0.53 1.42 0.43 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.04 0.00 2.08 1.91 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 68 Y 6.98 4.16 0.00 3.08 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 69 K 8.30 4.63 0.00 1.86 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 70 N 8.64 4.74 0.00 2.75 2.72 0.00 0.00 6.90 8.00 0.00 0.00 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 G 8.39 3.77 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 0.00 0.00 0.00