NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2639 8.2549 119.7097 56.2934 31.3241 173.9163 21 L 4.2768 7.9884 119.4130 53.3448 43.8818 172.9178 22 G 3.8498 8.7375 105.8605 44.1991 0.0000 173.2060 23 V 3.9469 8.1289 118.3525 62.9065 31.8425 175.6573 24 K 4.6076 8.9502 123.8544 56.0310 33.8905 176.3646 25 R 5.3845 8.1022 116.0315 53.2142 33.9289 173.9009 26 Y 4.9079 7.7250 117.2280 54.5958 40.5842 174.9155 27 E 4.2593 8.9874 119.9089 58.6613 29.8063 178.2006 28 G 3.9999 9.6136 111.8655 45.5384 0.0000 173.4362 29 Q 3.9380 7.8242 122.3611 55.7263 30.0321 175.3245 30 V 4.3388 8.2064 125.9876 63.0039 32.8923 175.1034 31 V 4.6423 8.9667 119.7631 59.9701 36.6751 173.9529 32 R 5.2642 8.2209 118.0799 54.1449 34.9436 175.0422 33 A 4.3823 8.6972 123.6124 54.2600 18.7184 177.2389 34 G 4.0929 9.6804 111.0990 45.2653 0.0000 174.0863 35 N 4.2819 7.9528 116.7568 54.0625 39.4490 175.0108 36 I 4.3649 8.4655 124.1623 61.6648 37.7545 175.5090 37 L 4.6349 9.6396 125.2081 55.8516 44.9150 176.8228 38 V 4.8878 7.5660 116.4379 61.4590 35.4474 173.4084 39 R 5.1460 8.6583 126.0122 54.4952 32.6591 174.9288 40 Q 4.8561 8.4545 119.6920 55.4319 30.6426 174.9241 41 R 4.0765 8.8765 120.7226 58.0421 30.9987 176.4487 42 G 3.5911 7.3496 106.4658 44.4510 0.0000 172.4950 43 T 4.6490 7.8862 111.7713 62.6498 68.4162 174.7554 44 R 3.8220 7.9419 123.1037 58.4960 30.8499 176.1384 45 F 5.0084 8.3101 115.5782 55.5074 41.5211 175.5662 46 K 4.4040 9.0268 123.3240 54.2905 34.0295 174.4799 47 P 4.4316 0.0000 0.0000 62.9606 31.7716 176.4931 48 G 4.3750 8.2650 114.4794 44.1808 0.0000 172.2169 49 K 4.0620 8.9609 119.7701 57.8074 32.7731 176.9134 50 N 4.3398 9.0033 118.8842 53.9204 36.0383 173.1475 51 V 4.5675 7.5353 117.4661 61.0676 34.3139 175.2373 52 G 3.4655 8.1090 114.7582 44.6916 0.0000 171.8904 53 M 5.5894 7.2925 118.9736 54.3509 34.8188 175.1809 54 G 4.0441 8.9172 116.1683 44.9996 0.0000 173.4890 55 R 3.7843 8.3896 117.2827 58.5575 30.1800 177.3036 56 D 4.7497 8.0378 115.6465 52.9941 39.4568 176.9324 57 F 3.7539 7.6495 116.2369 58.4192 37.6172 175.4691 58 T 4.3898 8.3272 118.3680 63.8207 69.7351 173.0447 59 L 5.3381 8.8720 124.5971 53.0006 44.3296 175.6594 60 F 5.5419 8.1714 117.6041 54.6137 41.9964 173.9384 61 A 4.3939 9.1906 123.2441 52.3915 18.7322 178.3257 62 L 4.4857 9.1811 122.2950 56.1169 42.5864 176.8537 63 V 4.5586 7.3497 110.0266 59.8201 36.4570 173.6817 64 D 4.5548 8.7862 121.9602 54.3017 41.8542 176.5146 65 G 4.1395 7.7043 109.9146 45.9861 0.0000 171.5906 66 V 4.8092 7.7152 121.3708 60.7096 34.4522 176.5533 67 V 4.0972 8.7937 128.9330 63.0620 32.8864 174.4169 68 E 5.0667 8.9649 128.0775 54.8421 32.8916 173.7388 69 F 5.0895 11.3800 125.9919 56.3433 41.0640 175.3192 70 Q 4.6250 9.0095 122.5099 54.6871 32.9018 172.8066 71 D 5.1289 8.9149 125.9316 52.6017 42.4924 175.3060 72 R 4.4950 9.0946 125.5917 55.5299 31.8406 179.2275 73 G 3.9459 8.0593 111.9662 46.3485 0.0000 176.2060 74 R 3.8729 9.4514 121.4480 59.3468 30.0070 176.5387 75 L 4.1301 7.6141 115.7207 55.5526 42.1258 176.0225 76 G 3.6566 8.3374 104.9064 44.1334 0.0000 171.7699 77 R 5.0953 8.2822 117.1648 54.9817 32.0830 175.8733 78 Y 5.0935 9.0520 121.8325 56.3785 41.6309 174.9790 79 V 4.5749 8.3401 119.5880 61.6301 34.6689 174.1696 80 H 5.3923 9.1766 124.3607 53.9121 32.8829 173.0094 81 V 4.6329 8.3998 119.0978 61.4085 34.0252 174.9133 82 R 4.4628 8.6852 127.8802 54.0176 31.4396 174.2793 83 P 4.9301 0.0000 0.0000 62.3016 31.2558 176.4259 84 L 3.9719 8.8419 124.0037 56.9265 41.8906 177.1954 85 A 4.0886 7.7239 124.0850 53.0827 19.0361 175.7547 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 20 R 8.25 4.26 0.00 1.82 2.00 0.00 3.22 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 21 L 7.99 4.28 0.00 1.73 1.79 0.93 0.65 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 22 G 8.74 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.13 3.95 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 0.95 0.00 0.00 0.77 0.00 0.00 24 K 8.95 4.61 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.52 7.81 25 R 8.10 5.38 0.00 1.74 1.74 0.00 3.29 0.00 0.00 3.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 26 Y 7.73 4.91 0.00 3.15 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 27 E 8.99 4.26 0.00 2.12 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 2.59 2.41 0.00 28 G 9.61 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 29 Q 7.82 3.94 0.00 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 30 V 8.21 4.34 2.07 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 0.84 0.00 0.00 0.94 0.00 0.00 31 V 8.97 4.64 2.04 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 0.70 0.00 0.00 0.95 0.00 0.00 32 R 8.22 5.26 0.00 1.83 1.76 0.00 3.14 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.60 0.00 33 A 8.70 4.38 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 34 G 9.68 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 0.00 0.00 0.00 35 N 7.95 4.28 0.00 2.93 2.80 0.00 0.00 6.91 7.35 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 36 I 8.47 4.36 1.89 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 1.38 0.47 0.98 0.00 0.00 37 L 9.64 4.63 0.00 1.47 1.49 0.78 0.23 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 38 V 7.57 4.89 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 1.02 0.00 0.00 0.61 0.00 0.00 39 R 8.66 5.15 0.00 1.84 1.84 0.00 3.36 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 40 Q 8.45 4.86 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 41 R 8.88 4.08 0.00 1.70 1.92 0.00 3.11 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 42 G 7.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.65 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 1.26 0.00 0.00 44 R 7.94 3.82 0.00 1.66 2.13 0.00 3.14 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.37 0.00 45 F 8.31 5.01 0.00 3.06 2.89 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 46 K 9.03 4.40 0.00 0.79 1.18 0.00 0.82 0.00 0.00 1.28 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 0.96 7.81 47 P 0.00 4.43 0.00 1.91 2.00 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 48 G 8.26 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 0.00 0.00 0.00 0.00 49 K 8.96 4.06 0.00 1.84 1.74 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.41 7.81 50 N 9.00 4.34 0.00 3.02 2.88 0.00 0.00 6.54 7.68 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 51 V 7.54 4.57 2.20 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 0.55 0.00 0.00 0.88 0.00 0.00 52 G 8.11 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.29 5.59 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.26 0.00 54 G 8.92 4.04 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 0.00 0.00 0.00 55 R 8.39 3.78 0.00 1.78 1.94 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 56 D 8.04 4.75 0.00 2.86 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 57 F 7.65 3.75 0.00 3.48 3.41 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 58 T 8.33 4.39 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 1.33 0.00 0.00 59 L 8.87 5.34 0.00 1.55 1.46 0.97 0.78 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 60 F 8.17 5.54 0.00 3.34 3.06 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 61 A 9.19 4.39 1.35 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 0.00 0.00 62 L 9.18 4.49 0.00 1.53 1.74 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.35 4.56 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 0.65 0.00 0.00 0.97 0.00 0.00 64 D 8.79 4.55 0.00 2.68 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 65 G 7.70 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.72 4.81 2.07 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 0.98 0.00 0.00 0.93 0.00 0.00 67 V 8.79 4.10 2.12 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 0.46 0.00 0.00 0.83 0.00 0.00 68 E 8.96 5.07 0.00 2.02 1.71 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 2.27 2.34 0.00 69 F 11.38 5.09 0.00 2.98 3.09 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 70 Q 9.01 4.62 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 71 D 8.91 5.13 0.00 2.78 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 72 R 9.09 4.49 0.00 2.21 1.95 0.00 2.79 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 73 G 8.06 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 0.00 0.00 0.00 74 R 9.45 3.87 0.00 1.80 2.02 0.00 3.42 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 L 7.61 4.13 0.00 1.76 1.97 0.92 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 76 G 8.34 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 0.00 0.00 0.00 77 R 8.28 5.10 0.00 1.63 1.97 0.00 2.90 0.00 0.00 2.77 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 78 Y 9.05 5.09 0.00 2.94 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 79 V 8.34 4.57 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 0.41 0.00 0.00 0.75 0.00 0.00 80 H 9.18 5.39 0.00 3.00 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.40 4.63 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 0.79 0.00 0.00 0.84 0.00 0.00 82 R 8.69 4.46 0.00 1.80 1.84 0.00 3.23 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 83 P 0.00 4.93 0.00 1.92 2.02 0.00 3.74 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 84 L 8.84 3.97 0.00 1.62 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.72 4.09 1.22 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 0.00 0.00 0.00