NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5431 8.3049 120.3485 54.8731 33.9400 174.7955 2 P 3.9815 0.0000 0.0000 61.0383 32.9074 173.7097 3 R 4.9241 9.4121 123.8805 54.4780 32.7094 174.8185 4 L 4.7694 8.8156 125.6663 53.7593 43.4145 175.9000 5 K 5.1418 9.1440 125.5993 54.5073 34.7849 175.0318 6 V 5.5599 8.7417 126.6200 59.0392 34.8148 174.3923 7 K 5.6412 8.2336 122.4543 53.3736 35.7249 174.6584 8 L 4.3802 8.4715 129.0565 55.4154 42.9763 175.8615 9 V 4.3907 8.4051 118.9912 60.1312 35.8856 174.2219 10 K 3.4130 7.2962 122.4257 62.3078 29.2494 175.8821 11 S 3.6580 6.6933 112.3815 54.5385 65.2158 171.2627 12 P 4.4156 0.0000 0.0000 66.5162 31.2592 175.9006 13 I 3.6695 7.0354 119.7794 63.2908 34.1070 174.3633 14 G 4.1685 8.9454 121.2408 45.5021 0.0000 171.2798 15 Y 3.6626 7.6841 115.9244 56.8995 38.2651 175.3572 16 P 3.9541 0.0000 0.0000 58.4384 34.0253 175.1951 17 K 3.9593 9.2176 120.8742 58.1436 31.5293 178.5987 18 D 4.3724 8.3447 116.8672 57.6287 42.1603 177.9522 19 Q 4.3930 7.4344 118.4310 59.4663 28.7840 179.5789 20 K 3.8532 8.3840 119.0091 59.8507 32.0110 179.0462 21 A 3.9721 9.1684 121.5165 55.0114 18.3050 179.4882 22 A 3.9399 8.0955 119.2387 55.6916 18.2732 179.2154 23 L 3.9888 7.8406 117.5379 57.3710 41.7331 178.9844 24 K 3.8023 8.6421 119.0298 60.4833 32.0821 177.9635 25 A 3.8098 8.2224 117.6365 55.6917 18.0942 178.6960 26 L 4.1983 8.3326 119.0829 56.8980 43.2243 177.8359 27 G 4.6286 7.7601 108.5081 45.5701 0.0000 171.7824 28 L 4.6647 7.7659 122.0683 53.3343 44.8250 176.9796 29 R 4.7271 7.9020 132.3308 54.8484 28.4710 180.0097 30 R 4.0380 8.5745 127.4956 56.7479 29.4656 174.9418 31 L 4.0804 8.5437 119.9755 55.4024 42.9104 176.7618 32 Q 3.7425 7.8888 113.9741 56.2241 27.7968 174.6133 33 Q 4.5362 7.8132 125.4701 55.9292 31.7577 173.5181 34 E 5.7984 8.3768 117.3522 53.9271 33.4642 175.4867 35 R 4.8471 8.3390 119.9066 55.0525 35.3510 173.9708 36 V 5.5151 7.9920 111.0428 60.5299 35.7131 174.6440 37 L 4.7929 8.2553 121.5237 53.0134 46.2989 175.4464 38 E 4.4753 8.9135 121.1997 56.5563 29.7582 176.7649 39 D 4.3816 9.3531 123.1440 57.9075 39.9917 178.5023 40 T 3.4841 7.3512 113.7495 60.4263 65.0505 170.5539 41 P 3.7866 0.0000 0.0000 65.6194 31.9571 180.5423 42 A 3.5242 6.7400 117.4182 53.9792 20.2272 178.9754 43 I 3.5890 7.7030 115.7725 64.3705 37.3770 178.2023 44 R 3.9793 8.3757 119.5803 60.2121 29.7821 178.0695 45 G 4.1197 8.5916 105.7300 47.0147 0.0000 174.9219 46 N 4.1182 8.5862 119.0189 55.9688 39.2934 177.3892 47 V 3.5473 7.9747 119.5225 66.0462 31.3330 177.8353 48 E 3.9981 8.5418 117.7646 59.7673 28.9959 178.0989 49 K 3.9287 8.2303 120.4549 58.9632 32.5136 178.5520 50 V 3.3844 8.5793 113.2263 62.6813 31.9791 178.3646 51 A 3.7777 9.0467 118.2380 52.9407 20.4621 178.9333 52 H 4.0495 8.6421 117.6660 61.5358 30.2333 177.3967 53 L 4.0417 7.6259 122.5725 55.7240 43.4081 175.8279 54 V 4.2873 7.3800 114.4115 61.4584 39.9561 172.6408 55 R 4.6382 8.9917 127.0871 55.4345 33.5158 174.7314 56 V 4.5959 8.4794 125.1836 61.1588 33.4876 174.0218 57 E 4.7086 9.1293 129.1434 54.2282 33.0451 174.9313 58 V 4.1710 8.3640 126.1541 62.6437 32.0167 174.5038 59 V 4.1763 8.7165 132.5731 62.7556 37.0911 173.5675 60 E 4.2646 8.6218 118.1995 56.9802 30.3626 174.7043 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 4.54 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 P 0.00 3.98 0.00 2.19 1.97 0.00 3.60 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 2.12 2.18 0.00 3 R 9.41 4.92 0.00 1.99 1.84 0.00 3.11 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 4 L 8.82 4.77 0.00 1.59 1.58 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.14 5.14 0.00 1.78 1.83 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.50 7.81 6 V 8.74 5.56 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 0.97 0.00 0.00 0.94 0.00 0.00 7 K 8.23 5.64 0.00 1.80 1.63 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.32 1.43 7.81 8 L 8.47 4.38 0.00 1.81 1.62 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.41 4.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.97 0.00 0.00 10 K 7.30 3.41 0.00 1.77 1.68 0.00 1.67 0.00 0.00 1.41 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.95 1.25 7.81 11 S 6.69 3.66 0.00 3.90 3.83 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 0.00 0.00 0.00 12 P 0.00 4.42 0.00 2.33 2.35 0.00 3.80 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 2.13 2.02 0.00 13 I 7.04 3.67 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.96 0.00 0.00 14 G 8.95 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.68 3.66 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 3.95 0.00 2.20 2.02 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 17 K 9.22 3.96 0.00 1.86 1.61 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.57 7.81 18 D 8.34 4.37 0.00 2.83 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 19 Q 7.43 4.39 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.46 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 20 K 8.38 3.85 0.00 1.94 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.67 7.81 21 A 9.17 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 8.10 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.99 0.00 1.79 1.66 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.64 3.80 0.00 1.82 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 25 A 8.22 3.81 1.38 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 26 L 8.33 4.20 0.00 1.58 1.79 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.76 4.63 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 0.00 0.00 0.00 28 L 7.77 4.66 0.00 1.57 1.58 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.90 4.73 0.00 1.80 1.15 0.00 3.39 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 30 R 8.57 4.04 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 31 L 8.54 4.08 0.00 1.70 1.60 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.89 3.74 0.00 2.25 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 33 Q 7.81 4.54 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 34 E 8.38 5.80 0.00 1.86 1.82 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 2.22 2.09 0.00 35 R 8.34 4.85 0.00 1.66 1.78 0.00 3.27 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 1.76 1.57 0.00 36 V 7.99 5.52 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 0.84 0.00 0.00 0.93 0.00 0.00 37 L 8.26 4.79 0.00 1.54 1.49 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.91 4.48 0.00 1.83 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 2.31 2.37 0.00 39 D 9.35 4.38 0.00 2.68 2.95 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 40 T 7.35 3.48 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 1.27 0.00 0.00 41 P 0.00 3.79 0.00 2.21 1.98 0.00 3.67 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 2.12 2.13 0.00 42 A 6.74 3.52 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 43 I 7.70 3.59 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 1.68 0.46 0.91 0.00 0.00 44 R 8.38 3.98 0.00 2.09 2.26 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 45 G 8.59 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 46 N 8.59 4.12 0.00 2.99 2.84 0.00 0.00 7.01 7.32 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 47 V 7.97 3.55 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 0.98 0.00 0.00 48 E 8.54 4.00 0.00 2.16 2.30 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 2.28 2.46 0.00 49 K 8.23 3.93 0.00 1.75 1.96 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 V 8.58 3.38 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 1.01 0.00 0.00 51 A 9.05 3.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.05 0.00 3.33 3.57 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.63 4.04 0.00 1.77 1.66 0.91 0.95 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 54 V 7.38 4.29 2.68 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 0.57 0.00 0.00 0.92 0.00 0.00 55 R 8.99 4.64 0.00 1.82 1.70 0.00 3.03 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 56 V 8.48 4.60 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 0.84 0.00 0.00 0.92 0.00 0.00 57 E 9.13 4.71 0.00 2.03 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 2.20 0.00 58 V 8.36 4.17 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 8.72 4.18 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 0.79 0.00 0.00 0.93 0.00 0.00 60 E 8.62 4.26 0.00 1.95 1.76 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 2.28 2.30 0.00