NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9805 8.0544 120.3845 62.6569 32.6900 174.3023 2 V 4.2023 7.8019 124.0747 60.8363 34.3727 173.4097 3 Y 4.5244 8.2863 124.2605 57.2063 41.5519 173.5464 4 T 4.5115 8.2614 109.9597 61.2585 71.9831 173.7591 5 D 5.1135 8.5297 121.1028 54.0008 42.5261 177.0322 6 C 4.7757 8.5415 117.7697 56.4698 41.6510 173.9944 7 T 4.4084 8.1021 107.0275 61.2405 70.1874 172.9595 8 E 4.7285 7.7892 119.8190 54.9945 33.8646 174.1051 9 S 4.5611 8.2152 115.9571 58.5092 63.6907 174.5538 10 G 4.0383 9.0710 112.8464 45.9532 0.0000 174.3476 11 Q 4.6398 7.8218 117.2611 55.9319 28.4997 174.6884 12 N 4.9147 7.8161 112.9042 55.2423 45.0577 174.9910 13 L 4.2202 7.3366 126.2920 53.9449 40.9087 176.1158 14 C 4.9999 7.4624 120.2723 55.6044 43.9961 174.5952 15 L 4.9466 8.3343 119.8617 52.6990 42.9235 176.5832 16 C 4.4215 8.6985 120.3398 58.8478 38.7837 175.4007 17 E 4.2493 8.0154 126.1478 55.5985 29.6546 179.5885 18 G 4.0423 9.2398 117.2272 46.1954 0.0000 172.5063 19 S 4.6959 9.1990 110.5484 57.6689 64.4031 174.4743 20 N 4.6331 8.5678 119.6453 53.0731 39.1903 174.0512 21 V 4.7140 8.0539 121.4329 61.7367 32.7366 175.9961 22 C 4.7733 8.7592 124.4958 56.3036 40.0777 172.8759 23 G 4.2424 8.8272 115.9770 46.1466 0.0000 173.9753 24 Q 3.9808 9.2475 119.6474 57.5685 29.6565 176.4043 25 G 4.0141 10.2533 113.7024 45.1825 0.0000 171.7301 26 N 4.9981 8.1163 115.1702 51.7584 40.7344 173.3809 27 K 4.8924 9.0518 118.9596 55.0567 35.8590 174.5520 28 C 5.4836 8.4286 122.6283 55.2159 42.1977 172.9048 29 I 4.8198 8.5208 122.8853 59.6619 40.2757 176.3898 30 L 4.0620 8.6306 126.2743 53.9118 43.4446 175.5327 31 G 4.3207 8.4177 109.1924 46.2835 0.0000 173.3521 32 S 4.1078 8.3428 124.3647 59.0002 62.2707 176.0817 33 D 4.6283 8.6068 126.7410 53.8702 40.4692 176.7814 34 G 4.0280 8.2367 106.5073 45.9227 0.0000 171.2531 35 E 4.5288 7.5967 120.1798 55.0397 31.8093 174.3331 36 K 4.7700 8.0798 118.8988 56.1041 34.4692 175.8266 37 N 4.7464 8.3685 116.9566 53.7262 39.7414 173.9827 38 Q 4.5167 8.8993 119.8845 55.1665 33.1201 173.1307 39 C 5.1093 8.8869 123.5429 55.7580 38.9829 172.6779 40 V 4.4864 8.4183 124.3636 59.5245 33.4615 175.5411 41 T 4.0676 8.7827 119.1731 61.5941 67.6066 174.9107 42 G 4.0033 7.5092 114.2341 46.5132 0.0000 172.4392 43 E 4.5332 8.7895 124.3527 54.5622 31.5454 175.1075 44 G 4.3981 8.3325 109.9039 43.3800 0.0000 170.9493 45 T 4.5734 7.9551 114.3771 59.8645 69.4723 173.2412 46 P 4.6674 0.0000 0.0000 63.0019 32.2871 174.9004 47 E 4.4105 8.4149 121.6966 54.4358 30.1087 174.7270 48 P 4.6050 0.0000 0.0000 62.4836 32.1527 176.9503 49 Q 4.1302 8.3283 117.3792 56.9068 29.7242 175.0807 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 V 8.05 3.98 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 0.79 0.00 0.00 0.89 0.00 0.00 2 V 7.80 4.20 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 0.79 0.00 0.00 0.91 0.00 0.00 3 Y 8.29 4.52 0.00 2.92 3.03 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 4 T 8.26 4.51 4.28 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 1.25 0.00 0.00 5 D 8.53 5.11 0.00 2.60 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 6 C 8.54 4.78 0.00 2.95 3.01 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 7 T 8.10 4.41 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 1.22 0.00 0.00 8 E 7.79 4.73 0.00 1.91 1.85 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 2.20 2.31 0.00 9 S 8.22 4.56 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.07 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 11 Q 7.82 4.64 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 12 N 7.82 4.91 0.00 2.85 2.58 0.00 0.00 6.83 6.90 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 13 L 7.34 4.22 0.00 1.24 0.14 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.46 5.00 0.00 3.08 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 15 L 8.33 4.95 0.00 1.62 1.64 1.01 1.11 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 C 8.70 4.42 0.00 2.95 3.11 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 0.00 17 E 8.02 4.25 0.00 2.03 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 0.00 2.38 2.30 0.00 18 G 9.24 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 19 S 9.20 4.70 0.00 3.95 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 20 N 8.57 4.63 0.00 2.91 2.77 0.00 0.00 6.62 7.48 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 21 V 8.05 4.71 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 1.11 0.00 0.00 1.12 0.00 0.00 22 C 8.76 4.77 0.00 2.82 2.94 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 23 G 8.83 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 0.00 0.00 0.00 0.00 24 Q 9.25 3.98 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.55 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 25 G 10.25 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 0.00 0.00 0.00 26 N 8.12 5.00 0.00 2.59 2.78 0.00 0.00 6.61 7.20 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 27 K 9.05 4.89 0.00 1.77 1.70 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.46 7.81 28 C 8.43 5.48 0.00 3.05 2.91 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 29 I 8.52 4.82 1.86 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 1.22 1.08 0.91 0.00 0.00 30 L 8.63 4.06 0.00 1.63 1.64 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.11 0.00 3.92 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 33 D 8.61 4.63 0.00 2.68 2.59 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 34 G 8.24 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 35 E 7.60 4.53 0.00 1.99 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 0.00 2.30 2.36 0.00 36 K 8.08 4.77 0.00 1.81 1.76 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.45 7.81 37 N 8.37 4.75 0.00 2.83 2.85 0.00 0.00 6.57 7.69 0.00 0.00 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 Q 8.90 4.52 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 39 C 8.89 5.11 0.00 2.88 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 40 V 8.42 4.49 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 0.85 0.00 0.00 0.92 0.00 0.00 41 T 8.78 4.07 4.23 0.00 0.00 0.00 0.00 0.00 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 42 G 7.51 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 43 E 8.79 4.53 0.00 1.91 1.85 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 2.18 2.25 0.00 44 G 8.33 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.57 4.23 0.00 0.00 0.00 0.00 0.00 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 46 P 0.00 4.67 0.00 1.97 1.96 0.00 3.94 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 47 E 8.41 4.41 0.00 1.99 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 2.20 2.26 0.00 48 P 0.00 4.60 0.00 2.09 2.03 0.00 3.67 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 2.03 2.11 0.00 49 Q 8.33 4.13 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00