NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4964 8.3349 115.3065 57.5945 63.7699 173.2417 8 D 4.6557 8.4470 124.3865 53.4413 41.8215 174.6513 9 F 5.3651 8.3241 115.3715 55.8029 41.7938 173.0231 10 V 4.5456 8.9964 119.0212 61.0641 35.0006 174.1070 11 V 4.8801 8.7724 126.8331 61.2680 33.8690 174.2178 12 I 4.9373 9.1598 128.8446 59.4006 40.2586 174.2077 13 K 5.0382 9.2137 129.1615 54.3541 34.4139 175.0417 14 A 4.4533 8.9300 130.2008 52.0453 19.3519 177.4275 15 L 4.7343 8.9092 121.3137 54.4737 42.7864 175.8301 16 E 4.7088 7.7411 115.7567 54.5598 32.7181 174.4024 17 D 4.4991 8.3651 119.0415 55.5235 41.3992 176.8625 18 G 3.8473 8.4033 108.8651 45.7754 0.0000 173.8332 19 V 3.8834 7.6574 120.0949 62.7762 32.8776 174.5279 20 N 5.2821 9.1099 125.0751 51.4584 41.4446 173.5359 21 V 4.5750 8.7190 124.7097 61.4012 33.5332 174.3013 22 I 4.6987 8.8416 130.1266 59.4740 39.6893 174.8789 23 G 4.2519 9.1443 115.4680 44.8035 0.0000 172.3057 24 L 5.5140 8.7893 125.6336 52.9195 44.2095 176.2328 25 T 4.5176 8.7190 114.4162 61.8160 69.3087 174.1164 26 R 4.3864 7.8694 126.6242 55.5986 30.4583 176.7663 27 G 3.9180 8.7420 111.4939 43.8276 0.0000 173.2632 28 A 4.0826 8.3504 122.3662 54.4413 18.5705 177.8116 29 D 4.8648 7.2422 111.3507 53.1060 42.6134 176.2346 30 T 4.7372 8.3451 118.7066 61.9230 70.7785 173.3235 31 R 4.9128 8.8036 122.6948 54.0719 33.6976 174.2221 32 F 5.1321 8.7748 115.4480 57.1422 38.3841 174.8878 33 H 4.8471 8.9118 116.6342 56.2596 30.4354 173.9736 34 H 4.9807 8.0544 117.8616 55.1021 33.3573 171.9121 35 S 4.9042 8.4268 119.2835 56.4356 64.8485 172.2870 36 E 4.4895 9.1762 129.3845 54.6119 30.9372 174.6194 37 K 4.7600 8.6139 128.7452 55.8204 33.7055 175.5685 38 L 4.9738 8.9673 126.8594 53.1268 44.8397 176.0945 39 D 4.9781 9.2320 123.6209 52.5971 43.0781 175.9422 40 K 4.0111 8.7337 121.7911 58.4949 32.3652 177.1091 41 G 4.0227 9.1814 115.2620 45.3233 0.0000 173.5722 42 E 4.3343 8.1250 119.4300 56.1469 30.9586 175.9759 43 V 4.9003 8.2450 121.1168 61.0520 34.6240 174.2694 44 L 4.8069 9.1000 129.3906 53.2434 45.0643 174.8851 45 I 5.0589 8.4788 125.9240 59.5960 39.3890 174.6898 46 A 4.7140 9.1470 129.3388 50.1392 21.9331 175.4000 47 Q 4.8414 8.6513 120.9723 55.0773 30.4488 175.6284 48 F 4.6368 8.7318 120.1987 57.7672 39.9831 175.3884 49 T 4.6625 8.8399 110.6673 60.4657 71.7268 173.9685 50 E 4.0853 8.8976 121.1663 59.1545 29.7729 177.1789 51 H 4.6354 7.8478 114.6705 55.9369 30.1386 174.0739 52 T 5.3313 8.1945 116.6523 61.9320 71.3113 174.3534 53 S 5.0763 9.0535 119.7800 58.0213 64.8503 173.4546 54 A 5.1701 7.9803 121.6413 51.0812 22.6123 175.1585 55 I 4.9925 8.6355 121.0080 59.3409 40.6834 174.7213 56 K 4.6124 9.0691 128.0059 54.4990 34.8623 174.6642 57 V 4.7627 8.4000 126.4533 61.0544 33.8124 174.2616 58 R 4.4377 8.7409 128.6491 55.6984 32.1398 174.5876 59 G 4.3261 9.1113 113.3697 43.3016 0.0000 172.9232 60 K 4.1970 9.8564 123.3218 56.3805 33.0168 175.6770 61 A 5.0949 8.4338 127.5472 50.9263 22.6107 174.2805 62 Y 4.5580 9.0063 122.4762 56.3198 40.8460 174.4339 63 I 5.0205 7.8247 126.6637 59.5196 40.8552 174.2652 64 Q 5.0509 9.1304 125.8121 54.3251 32.1699 174.8250 65 T 4.6855 8.6616 112.7682 59.4242 72.3854 174.3225 66 R 3.7644 8.5988 120.5820 59.8417 29.7606 176.7762 67 H 4.5302 7.9224 112.7391 56.1608 29.6454 174.6234 68 G 3.6971 7.1334 106.1103 44.2618 0.0000 174.5408 69 V 4.4158 8.0592 119.9640 61.1216 31.7140 175.7808 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 7 S 8.33 4.50 0.00 3.92 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 8 D 8.45 4.66 0.00 2.90 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 9 F 8.32 5.37 0.00 3.01 2.97 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 0.00 0.00 0.00 10 V 9.00 4.55 1.99 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 1.03 0.00 0.00 0.84 0.00 0.00 11 V 8.77 4.88 2.17 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 1.10 0.00 0.00 1.16 0.00 0.00 12 I 9.16 4.94 1.88 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 1.10 0.51 0.92 0.00 0.00 13 K 9.21 5.04 0.00 1.87 1.78 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.93 4.45 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 4.73 0.00 1.63 1.70 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.74 4.71 0.00 2.01 1.88 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 2.17 2.32 0.00 17 D 8.37 4.50 0.00 2.69 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 18 G 8.40 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 19 V 7.66 3.88 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 0.91 0.00 0.00 1.01 0.00 0.00 20 N 9.11 5.28 0.00 2.63 2.54 0.00 0.00 6.27 8.47 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 21 V 8.72 4.58 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 0.92 0.00 0.00 0.91 0.00 0.00 22 I 8.84 4.70 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.46 0.70 0.00 0.00 23 G 9.14 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 24 L 8.79 5.51 0.00 1.69 1.66 0.98 0.91 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 25 T 8.72 4.52 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 1.33 0.00 0.00 26 R 7.87 4.39 0.00 1.91 2.00 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.74 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 0.00 0.00 0.00 28 A 8.35 4.08 1.29 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 0.00 0.00 0.00 29 D 7.24 4.86 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 30 T 8.35 4.74 4.27 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 1.26 0.00 0.00 31 R 8.80 4.91 0.00 1.75 1.94 0.00 2.68 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 32 F 8.77 5.13 0.00 3.09 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 33 H 8.91 4.85 0.00 3.16 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.05 4.98 0.00 3.38 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.43 4.90 0.00 3.29 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 36 E 9.18 4.49 0.00 2.18 1.81 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 2.26 2.29 0.00 37 K 8.61 4.76 0.00 1.77 1.66 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.58 7.81 38 L 8.97 4.97 0.00 1.55 1.51 0.93 0.94 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 39 D 9.23 4.98 0.00 2.59 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 40 K 8.73 4.01 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.65 7.81 41 G 9.18 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.13 4.33 0.00 2.01 1.88 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 2.32 2.40 0.00 43 V 8.24 4.90 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 0.85 0.00 0.00 0.95 0.00 0.00 44 L 9.10 4.81 0.00 1.74 1.46 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.06 1.81 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 1.31 0.71 0.84 0.00 0.00 46 A 9.15 4.71 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.65 4.84 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 48 F 8.73 4.64 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.84 4.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.90 4.09 0.00 1.94 1.99 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 2.09 2.28 0.00 51 H 7.85 4.64 0.00 3.37 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.33 4.35 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 1.32 0.00 0.00 53 S 9.05 5.08 0.00 3.86 4.10 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 54 A 7.98 5.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 4.99 1.84 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.89 0.00 0.00 56 K 9.07 4.61 0.00 1.80 1.60 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.40 4.76 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 0.82 0.00 0.00 0.91 0.00 0.00 58 R 8.74 4.44 0.00 1.85 1.68 0.00 3.08 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 59 G 9.11 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.86 4.20 0.00 1.92 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.43 5.09 1.20 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 0.00 0.00 62 Y 9.01 4.56 0.00 3.09 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 63 I 7.82 5.02 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.89 0.00 0.00 64 Q 9.13 5.05 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 65 T 8.66 4.69 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 R 8.60 3.76 0.00 1.62 1.86 0.00 3.24 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 67 H 7.92 4.53 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.13 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 69 V 8.06 4.42 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 1.06 0.00 0.00 0.28 0.00 0.00