NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3852 8.3049 118.1940 53.9908 32.8117 174.6986 2 P 4.5213 0.0000 0.0000 62.1878 31.4812 174.6257 3 R 4.7169 9.2963 123.6802 55.4717 33.3319 174.7830 4 L 4.8547 9.2073 121.3020 53.1368 44.6356 176.0546 5 K 4.7360 8.9894 124.4278 54.8885 34.3338 174.3729 6 V 4.6961 9.5809 129.1601 61.0046 33.9093 174.2873 7 K 4.8143 8.5742 129.1635 54.2369 34.6836 174.7404 8 L 4.2101 8.8677 131.4678 55.5992 42.2127 177.3200 9 V 4.8115 9.3046 120.3897 60.0252 34.4543 176.2077 10 K 4.5394 7.6831 120.3112 53.8346 34.3446 175.4216 11 S 4.2874 8.5789 120.7189 57.8145 63.0301 172.3455 12 P 4.5056 0.0000 0.0000 64.4762 31.7281 175.0749 13 I 3.7785 7.5389 120.2052 65.4838 36.8116 174.9252 14 G 3.9794 8.9256 114.4109 45.9015 0.0000 173.0333 15 Y 4.2698 7.7580 117.2900 56.6065 38.8036 174.2598 16 P 4.3806 0.0000 0.0000 63.0247 33.5188 176.9152 17 K 3.8209 8.9879 118.2193 60.4611 31.7822 178.9522 18 D 4.3174 7.8410 117.5208 56.9742 39.6490 178.9011 19 Q 3.9983 8.2003 119.7869 58.2983 28.5194 179.3465 20 K 4.0320 8.1217 119.0060 59.1685 32.0219 179.3985 21 A 3.9671 8.5651 121.4208 54.9257 18.3225 179.1335 22 A 3.9342 8.9153 120.5698 55.8269 18.3357 179.9729 23 L 4.1126 7.9851 116.6899 57.1098 41.5184 179.7899 24 K 3.8793 7.6436 119.5948 59.4429 32.0317 178.4532 25 A 3.9881 8.2079 119.9513 55.4510 18.3725 179.3410 26 L 4.1422 8.1029 115.8216 55.7755 41.6853 178.5194 27 G 3.7895 8.0615 106.9947 45.5237 0.0000 173.8473 28 L 4.5995 8.0048 120.6383 53.5902 40.4057 176.7064 29 R 4.2459 8.3950 122.5158 57.9969 31.0095 177.6143 30 R 4.1698 7.5118 117.7131 55.3272 30.7930 176.6040 31 L 4.0810 8.3221 123.0042 55.7382 42.8299 176.3038 32 Q 4.0608 9.0934 118.1864 56.6066 27.1419 172.6280 33 Q 4.6209 7.4207 118.6015 54.5548 30.8933 175.0799 34 E 4.9295 8.6459 125.7528 55.9180 31.3253 175.7386 35 R 4.2876 8.3300 116.3463 55.9844 34.3977 173.3781 36 V 4.8289 8.6202 120.0921 60.0695 33.4392 175.4025 37 L 4.7897 9.5471 125.3056 52.6790 46.5392 175.5423 38 E 4.1612 8.9794 121.8279 56.5908 30.6057 177.6452 39 D 4.8114 8.0890 123.5996 54.5111 41.2381 176.6000 40 T 4.1477 8.0280 107.7461 60.3157 69.7121 173.3463 41 P 4.1831 0.0000 0.0000 65.6213 30.8826 178.5784 42 A 3.9723 7.5990 118.2559 55.4003 18.2387 179.7939 43 I 3.6576 7.6729 117.3515 64.9310 37.2470 178.0835 44 R 3.9506 8.3438 118.7383 59.6780 29.6949 179.1906 45 G 4.1256 8.7068 105.6251 48.2748 0.0000 174.9953 46 N 4.4342 7.9706 119.0274 55.6913 37.8856 177.4773 47 V 3.5870 8.0024 119.4278 66.5743 31.6603 178.2062 48 E 4.1779 9.0662 119.1473 59.1927 29.0887 179.1569 49 K 3.9723 8.2436 119.1938 58.8475 32.5730 178.2802 50 V 4.1912 7.2406 110.5883 61.3895 31.7628 178.1112 51 A 3.9512 7.5744 122.5874 55.3810 18.2906 179.4021 52 H 4.3768 8.1655 109.6993 57.1796 28.7004 175.3896 53 L 4.6216 8.5089 119.5013 54.4296 44.0745 175.9565 54 V 4.9422 7.8786 111.0258 59.3400 35.8225 175.0644 55 R 4.5644 8.5528 119.2434 54.7137 33.1974 175.0342 56 V 4.8107 8.4867 124.0170 61.2480 33.5093 174.4539 57 E 4.7438 8.6288 126.6838 54.3940 33.0728 175.0352 58 V 4.4538 8.3915 125.4502 62.7596 33.2170 175.0742 59 V 4.3824 8.2285 125.6099 62.0001 35.4117 175.3110 *60 E 4.1603 8.7217 121.6847 56.2391 30.3181 174.3603 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 4.39 0.00 2.14 2.14 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 2.46 2.57 0.00 2 P 0.00 4.52 0.00 2.27 2.13 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 3 R 9.30 4.72 0.00 1.76 1.95 0.00 3.09 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 4 L 9.21 4.85 0.00 1.68 1.55 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.99 4.74 0.00 1.78 1.77 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.33 7.81 6 V 9.58 4.70 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 7 K 8.57 4.81 0.00 1.85 1.63 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 8 L 8.87 4.21 0.00 1.72 1.54 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.30 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 1.07 0.00 0.00 0.95 0.00 0.00 10 K 7.68 4.54 0.00 1.67 1.59 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.44 7.81 11 S 8.58 4.29 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.32 2.30 0.00 3.81 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 2.11 2.00 0.00 13 I 7.54 3.78 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.91 0.00 0.00 14 G 8.93 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.76 4.27 0.00 3.11 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 16 P 0.00 4.38 0.00 2.45 2.04 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 17 K 8.99 3.82 0.00 1.77 1.87 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 7.84 4.32 0.00 2.89 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 19 Q 8.20 4.00 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 20 K 8.12 4.03 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.82 7.81 21 A 8.57 3.97 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 22 A 8.92 3.93 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 23 L 7.99 4.11 0.00 1.96 1.91 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.64 3.88 0.00 1.87 1.97 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 25 A 8.21 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.14 0.00 1.73 1.73 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.60 0.00 1.70 1.65 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.39 4.25 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 7.51 4.17 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 31 L 8.32 4.08 0.00 1.68 1.54 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.09 4.06 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 33 Q 7.42 4.62 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 34 E 8.65 4.93 0.00 1.89 1.86 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 2.28 2.30 0.00 35 R 8.33 4.29 0.00 1.84 1.71 0.00 3.12 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 36 V 8.62 4.83 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 37 L 9.55 4.79 0.00 1.42 1.48 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.98 4.16 0.00 1.96 1.90 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 2.40 2.39 0.00 39 D 8.09 4.81 0.00 2.80 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 40 T 8.03 4.15 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 1.24 0.00 0.00 41 P 0.00 4.18 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.60 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.66 2.05 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 1.63 1.32 0.91 0.00 0.00 44 R 8.34 3.95 0.00 2.04 1.96 0.00 3.16 0.00 0.00 3.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 45 G 8.71 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.97 4.43 0.00 2.93 2.84 0.00 0.00 6.68 7.34 0.00 0.00 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 V 8.00 3.59 2.18 0.00 0.00 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 0.98 0.00 0.00 48 E 9.07 4.18 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 49 K 8.24 3.97 0.00 1.85 1.96 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 50 V 7.24 4.19 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 0.67 0.00 0.00 1.03 0.00 0.00 51 A 7.57 3.95 1.32 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 52 H 8.17 4.38 0.00 3.19 3.38 0.00 5.49 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.51 4.62 0.00 1.38 1.77 0.54 -0.09 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 54 V 7.88 4.94 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 0.69 0.00 0.00 1.02 0.00 0.00 55 R 8.55 4.56 0.00 1.73 1.78 0.00 3.09 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 56 V 8.49 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 0.75 0.00 0.00 0.92 0.00 0.00 57 E 8.63 4.74 0.00 2.05 1.70 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 2.18 2.22 0.00 58 V 8.39 4.45 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 0.80 0.00 0.00 0.93 0.00 0.00 59 V 8.23 4.38 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 0.82 0.00 0.00 0.93 0.00 0.00 *60 E 8.72 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.