NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4073 8.3049 120.3482 55.3870 33.9240 175.3858 2 D 4.7162 8.4093 120.0052 52.3220 43.0920 171.9650 3 E 4.5591 8.3448 119.8830 55.9977 32.3956 176.5772 4 T 4.7784 7.7897 114.9842 60.7598 70.0571 174.4809 5 G 3.8815 7.5246 114.7487 45.4532 0.0000 173.7176 6 K 3.7505 10.1295 117.8001 56.7220 29.9164 170.5850 7 E 3.6736 7.6709 124.9994 55.8713 28.3354 174.0595 8 L 5.0245 8.0304 123.3916 53.9624 44.0342 176.3168 9 V 5.0208 8.8927 113.6591 59.7631 36.5823 174.1223 10 L 5.0400 9.0208 124.7711 53.4393 44.5517 175.3775 11 A 4.5162 8.7071 128.2437 51.3865 18.6949 178.0799 12 L 3.7270 8.8117 124.0259 57.7804 42.1823 176.9902 13 Y 4.9770 7.3926 113.3946 55.8867 42.4773 174.4685 14 D 4.9694 8.9081 120.4510 54.0773 42.1337 174.7105 15 Y 4.9935 9.5263 127.3711 55.8061 42.2469 173.5340 16 Q 4.7534 7.7407 126.9984 53.5323 30.9872 175.0142 17 E 3.9826 8.2405 124.3184 56.7522 30.2844 176.5909 18 K 4.3062 8.8724 119.4445 57.6305 33.8427 176.5072 19 S 4.8268 8.5677 113.2140 55.6097 66.1006 173.1763 20 P 4.3418 0.0000 0.0000 64.4163 31.1923 177.4621 21 A 4.3398 7.8908 121.0621 53.2012 19.1890 176.5959 22 E 5.7379 8.0291 114.8885 54.1597 32.1079 175.9064 23 V 4.7870 8.3529 113.2906 59.9110 35.4986 175.4909 24 T 4.6010 8.4996 120.4418 63.3985 69.2224 174.2448 25 M 5.0529 9.1278 122.9793 53.4554 35.1824 174.4968 26 K 4.9930 9.1974 118.9322 53.9542 36.5184 175.7635 27 K 4.8106 8.1822 123.2098 58.0840 32.1769 176.8298 28 G 4.0893 9.0376 113.7874 45.0615 0.0000 172.6689 29 D 4.7018 8.2767 120.5299 53.6873 42.5887 175.6685 30 I 4.7668 8.3219 123.5033 60.0974 38.2623 175.0982 31 L 4.6950 8.9637 128.1203 53.6955 44.4818 175.8295 32 T 4.7891 8.1080 118.1657 61.8549 70.5589 174.0260 33 L 4.4672 8.6236 127.6606 54.9629 41.5484 176.7038 34 L 4.4419 9.0305 124.3339 56.0861 43.7197 177.0615 35 N 4.7478 7.6014 117.4413 52.2014 41.6838 174.9351 36 S 4.2983 8.2518 121.2561 58.1374 63.5831 175.2415 37 T 3.9042 8.4137 115.4396 63.9686 67.4353 173.7569 38 N 5.0186 7.5024 119.7968 52.9476 40.2342 174.9006 39 K 4.4044 8.7368 122.8749 58.2948 33.0612 177.4379 40 D 4.5480 8.9068 118.2784 54.1904 43.2391 176.6749 41 W 5.4110 8.4477 117.1464 54.5665 32.3898 175.0087 42 W 5.2776 9.6799 125.0260 54.7648 31.5810 174.8041 43 K 4.2652 9.1791 127.6524 56.1235 32.7439 176.1646 44 V 5.5517 9.0682 119.7250 58.9221 37.0902 173.5947 45 E 5.0808 8.6403 121.8089 54.5218 32.6429 174.3985 46 V 4.3464 8.8726 127.8193 62.1067 32.7183 175.6467 47 N 4.2497 9.3013 129.6265 54.1768 37.1149 174.7104 48 D 4.6940 7.6387 112.3231 53.5443 46.0906 174.7820 49 R 4.3581 8.5763 119.5602 55.5549 31.0063 175.4896 50 Q 4.7890 8.5859 124.1682 55.0211 30.1664 175.5774 51 G 4.1156 8.9894 110.4242 45.9030 0.0000 171.6401 52 F 5.3292 9.3431 118.7224 56.5846 40.9935 176.1263 53 V 4.9257 9.0203 114.1608 58.7811 36.6614 173.3651 54 P 3.8986 0.0000 0.0000 62.3511 31.3532 177.8141 55 A 3.1425 8.5069 126.8600 54.4325 18.2691 178.9353 56 A 3.9906 7.5648 117.0286 54.2121 18.9014 177.3164 57 Y 4.8479 8.1694 113.1961 57.8608 39.3055 175.7846 58 V 5.0237 7.2935 118.3935 59.6928 34.9009 175.1193 59 K 4.6639 8.7173 122.3533 54.2549 35.9435 175.3748 60 K 4.2222 9.1313 125.4426 57.8492 31.8893 176.5010 61 L 4.5064 9.0923 125.2450 55.3355 42.8226 176.7447 62 D 4.4858 7.9757 122.8312 53.4642 39.6444 176.0541 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 4.41 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 D 8.41 4.72 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.56 0.00 1.94 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 2.23 2.27 0.00 4 T 7.79 4.78 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 1.21 0.00 0.00 5 G 7.52 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 10.13 3.75 0.00 1.89 1.88 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.41 7.81 7 E 7.67 3.67 0.00 2.29 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 0.00 2.13 2.26 0.00 8 L 8.03 5.02 0.00 1.61 1.58 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.89 5.02 2.23 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 1.02 0.00 0.00 1.09 0.00 0.00 10 L 9.02 5.04 0.00 1.70 1.49 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.71 4.52 1.40 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 12 L 8.81 3.73 0.00 0.58 0.20 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.39 4.98 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.91 4.97 0.00 2.79 2.70 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 15 Y 9.53 4.99 0.00 3.03 2.84 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 16 Q 7.74 4.75 0.00 1.92 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 17 E 8.24 3.98 0.00 2.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 18 K 8.87 4.31 0.00 2.02 1.89 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.38 1.51 7.81 19 S 8.57 4.83 0.00 3.89 3.69 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 0.00 0.00 0.00 0.00 20 P 0.00 4.34 0.00 2.04 2.11 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 21 A 7.89 4.34 1.28 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 0.00 0.00 0.00 22 E 8.03 5.74 0.00 2.02 2.22 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 2.55 2.22 0.00 23 V 8.35 4.79 2.15 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 0.81 0.00 0.00 1.00 0.00 0.00 24 T 8.50 4.60 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 1.27 0.00 0.00 25 M 9.13 5.05 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 26 K 9.20 4.99 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.59 7.81 27 K 8.18 4.81 0.00 1.82 1.79 0.00 1.52 0.00 0.00 2.44 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 28 G 9.04 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 29 D 8.28 4.70 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.77 1.88 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 1.35 0.43 0.92 0.00 0.00 31 L 8.96 4.70 0.00 1.61 1.63 1.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.11 4.79 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 1.33 0.00 0.00 33 L 8.62 4.47 0.00 1.78 1.43 0.61 0.72 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 34 L 9.03 4.44 0.00 1.42 1.61 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.60 4.75 0.00 2.68 2.57 0.00 0.00 6.75 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 36 S 8.25 4.30 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 37 T 8.41 3.90 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 1.35 0.00 0.00 38 N 7.50 5.02 0.00 3.15 3.36 0.00 0.00 7.34 6.81 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 39 K 8.74 4.40 0.00 1.83 1.88 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.54 7.81 40 D 8.91 4.55 0.00 2.48 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 0.00 0.00 0.00 0.00 41 W 8.45 5.41 0.00 3.24 3.33 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 42 W 9.68 5.28 0.00 3.27 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 43 K 9.18 4.27 0.00 0.97 1.48 0.00 1.18 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.07 0.44 7.81 44 V 9.07 5.55 2.15 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 0.97 0.00 0.00 1.01 0.00 0.00 45 E 8.64 5.08 0.00 1.98 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 2.25 2.28 0.00 46 V 8.87 4.35 2.11 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 0.90 0.00 0.00 1.08 0.00 0.00 47 N 9.30 4.25 0.00 3.01 2.99 0.00 0.00 6.02 8.07 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 48 D 7.64 4.69 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 4.36 0.00 1.74 1.88 0.00 3.34 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 50 Q 8.59 4.79 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 51 G 8.99 4.12 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 0.00 52 F 9.34 5.33 0.00 3.06 3.14 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 53 V 9.02 4.93 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 0.95 0.00 0.00 1.12 0.00 0.00 54 P 0.00 3.90 0.00 1.63 1.26 0.00 2.58 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.95 0.00 55 A 8.51 3.14 0.14 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 56 A 7.56 3.99 1.23 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 0.00 0.00 0.00 57 Y 8.17 4.85 0.00 2.96 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 58 V 7.29 5.02 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 0.84 0.00 0.00 1.06 0.00 0.00 59 K 8.72 4.66 0.00 1.75 1.59 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 60 K 9.13 4.22 0.00 1.77 1.85 0.00 1.83 0.00 0.00 2.05 0.00 0.00 2.40 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 2.07 7.81 61 L 9.09 4.51 0.00 1.65 1.72 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.98 4.49 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00