NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3442 8.1744 110.9436 61.2715 70.5909 173.3711 6 N 4.7320 7.8951 120.1642 53.3310 39.3078 173.3848 7 S 4.4615 8.1496 112.2733 57.4503 64.9570 172.8445 8 D 4.8224 8.4882 121.6335 54.5063 42.3909 174.3760 9 F 5.3731 7.8293 115.3173 55.2525 41.4937 174.0177 10 V 4.5714 8.7994 112.5278 59.5718 35.3018 174.7632 11 V 4.8611 8.6736 123.6379 61.3330 33.9102 174.4591 12 I 4.9129 8.9482 128.4511 59.3830 40.7964 174.0858 13 K 5.0422 9.1190 128.9844 54.2390 34.3715 175.0600 14 A 4.4313 8.7483 130.5465 52.2718 19.1157 177.4435 15 L 4.5939 9.0153 122.4197 54.7570 42.3923 176.1171 16 E 4.6767 7.6434 115.4114 55.0072 32.0770 174.5568 17 D 4.4250 8.3647 119.6743 55.8000 41.3076 177.1015 18 G 3.8897 8.5186 110.2967 45.2574 0.0000 173.7830 19 V 3.8471 7.6131 119.7696 63.2765 32.8000 174.3315 20 N 5.3083 9.0910 124.8183 51.4942 41.3146 173.5541 21 V 4.5474 8.7880 124.9747 61.3340 33.6040 174.2985 22 I 4.5183 8.7970 130.0478 59.2711 39.7039 175.1187 23 G 4.0203 8.7822 115.8284 45.4765 0.0000 172.5477 24 L 5.2746 9.1908 126.7125 53.6683 43.5690 176.5515 25 T 4.3637 8.7670 114.4145 61.7107 69.2166 174.2264 26 R 4.2655 7.9315 126.1209 57.2267 30.5517 174.8532 27 G 3.7554 8.9389 109.0912 44.1123 0.0000 173.8116 28 A 4.1654 8.7371 121.0907 54.2646 18.5940 177.5591 29 D 4.8934 7.3468 114.8941 52.7885 42.9419 176.1913 30 T 4.4952 8.3541 122.4071 61.5700 69.2289 172.7203 31 R 4.8130 8.7885 122.9652 53.9157 33.8518 174.0549 32 F 5.2430 8.7579 117.9442 57.7639 38.9675 175.6485 33 H 4.9458 8.9987 118.8148 56.7501 30.4881 174.3928 34 H 4.8072 7.5599 116.9360 54.7910 33.4196 172.2598 35 S 4.7051 8.0768 118.6630 56.4217 64.6519 172.4192 36 E 4.4084 8.9771 129.8492 55.0338 30.9644 174.8182 37 K 4.9133 8.5837 126.5646 55.2794 33.8085 175.8870 38 L 4.9972 8.8475 125.0509 53.0023 44.9437 176.0695 39 D 4.9300 9.0818 122.9101 52.9804 42.7342 175.9932 40 K 3.9989 8.6863 122.1703 58.4417 32.4506 177.1072 41 G 4.0621 9.1130 115.2194 45.3573 0.0000 173.7199 42 E 4.2254 8.0713 119.4409 56.3086 30.7849 176.0738 43 V 4.9262 8.3036 122.2421 61.0117 34.1637 174.1790 44 L 4.7122 9.0896 130.0430 53.2905 44.5992 174.7545 45 I 4.9598 8.4347 126.6857 59.6283 38.9539 174.8158 46 A 4.6938 9.1652 129.2867 50.1263 22.0095 175.3150 47 Q 4.7829 8.6429 120.9191 55.1136 30.2937 175.8555 48 F 4.7111 8.4192 120.5242 57.9650 38.5875 175.1105 49 T 4.6969 9.0063 111.1844 60.0415 72.0168 173.8672 50 E 4.0540 8.9801 121.2904 59.5846 29.4949 177.4605 51 H 4.5866 7.7858 112.4981 56.2949 29.8405 174.3542 52 T 5.5003 8.3324 116.4002 60.8165 71.1189 174.4344 53 S 4.9925 9.0394 119.5245 57.9761 65.0588 173.2213 54 A 5.0800 7.9383 121.4302 51.0490 22.7002 175.1429 55 I 4.9606 8.5594 120.5509 59.3955 40.4945 174.7166 56 K 4.5652 9.0175 128.7826 54.5462 34.5750 174.7424 57 V 4.7799 8.3937 126.7795 61.2766 33.3902 174.5694 58 R 4.5456 9.2766 127.5616 55.6322 32.8413 177.0503 59 G 4.1722 8.9994 108.8698 44.5503 0.0000 172.0930 60 K 4.7891 9.3311 120.0260 54.8972 33.0719 175.4618 61 A 5.1807 8.6257 128.2796 50.8366 23.3646 173.6399 62 Y 5.0183 9.1832 121.5734 55.9542 41.3962 174.6278 63 I 4.9339 8.2688 126.7935 59.5028 41.0658 174.2269 64 Q 5.0600 8.9136 125.8039 54.3081 31.8280 174.8994 65 T 4.7962 8.5760 112.8255 59.4788 72.4903 174.4713 66 R 3.7275 8.5759 120.7268 59.6498 29.7486 176.4838 67 H 4.6389 8.4152 112.2297 55.4749 29.4662 174.6662 68 G 3.7588 6.7095 106.3967 44.0433 0.0000 172.9277 69 V 4.7415 7.6795 112.4629 59.9810 34.6431 175.2082 70 I 4.3721 7.9756 120.6851 60.2620 41.9331 172.6962 71 E 5.3057 8.6503 126.5977 54.4686 31.6701 176.1188 72 S 4.5236 8.7897 119.4226 58.2162 64.7965 172.9716 73 E 4.8853 8.7127 120.1736 54.6376 32.7291 175.5023 74 G 4.0948 8.6942 111.4961 43.8462 0.0000 173.6310 75 K 4.1374 8.4669 121.9444 56.2088 32.3791 175.7774 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 5 T 8.17 4.34 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 1.22 0.00 0.00 6 N 7.90 4.73 0.00 2.80 2.86 0.00 0.00 7.12 6.75 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 7 S 8.15 4.46 0.00 4.09 3.94 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 8 D 8.49 4.82 0.00 2.77 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 9 F 7.83 5.37 0.00 2.99 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 10 V 8.80 4.57 2.02 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 0.54 0.00 0.00 0.86 0.00 0.00 11 V 8.67 4.86 2.14 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 1.19 0.00 0.00 1.16 0.00 0.00 12 I 8.95 4.91 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.91 0.00 0.00 13 K 9.12 5.04 0.00 1.91 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.75 4.43 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 15 L 9.02 4.59 0.00 1.63 1.73 0.99 0.87 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 16 E 7.64 4.68 0.00 2.03 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 0.00 2.35 2.32 0.00 17 D 8.36 4.42 0.00 2.69 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 18 G 8.52 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.85 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 1.09 0.00 0.00 0.99 0.00 0.00 20 N 9.09 5.31 0.00 2.61 2.60 0.00 0.00 6.25 7.25 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 21 V 8.79 4.55 2.03 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.80 4.52 1.57 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.41 -0.41 0.00 0.00 23 G 8.78 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 24 L 9.19 5.27 0.00 1.84 1.70 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.36 4.31 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 1.33 0.00 0.00 26 R 7.93 4.27 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.07 7.04 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 8.94 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.74 4.17 1.30 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 0.00 0.00 0.00 29 D 7.35 4.89 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.50 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 1.28 0.00 0.00 31 R 8.79 4.81 0.00 1.82 2.01 0.00 2.78 0.00 0.00 3.52 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.76 5.24 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.95 0.00 3.17 3.50 0.00 5.77 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 7.56 4.81 0.00 3.24 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.08 4.71 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.41 0.00 2.16 1.77 0.00 0.00 0.00 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 2.32 0.00 37 K 8.58 4.91 0.00 1.64 1.71 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.85 5.00 0.00 1.53 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.08 4.93 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.00 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 9.11 4.06 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 0.00 0.00 0.00 42 E 8.07 4.23 0.00 2.10 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 2.26 0.00 43 V 8.30 4.93 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 0.96 0.00 0.00 44 L 9.09 4.71 0.00 1.73 1.46 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.43 4.96 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.67 0.00 0.00 46 A 9.17 4.69 1.10 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 0.00 0.00 47 Q 8.64 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.42 4.71 0.00 3.04 2.98 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 49 T 9.01 4.70 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 1.25 0.00 0.00 50 E 8.98 4.05 0.00 1.92 1.98 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 2.06 2.28 0.00 51 H 7.79 4.59 0.00 3.19 3.13 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 8.33 5.50 4.37 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 1.36 0.00 0.00 53 S 9.04 4.99 0.00 3.81 4.07 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 0.00 0.00 0.00 54 A 7.94 5.08 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 55 I 8.56 4.96 1.89 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.84 0.00 0.00 56 K 9.02 4.57 0.00 1.82 1.56 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.38 7.81 57 V 8.39 4.78 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.28 4.55 0.00 1.73 1.79 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 59 G 9.00 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 60 K 9.33 4.79 0.00 1.85 1.72 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.25 7.81 61 A 8.63 5.18 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 62 Y 9.18 5.02 0.00 3.05 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 8.27 4.93 1.84 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 1.17 0.76 0.83 0.00 0.00 64 Q 8.91 5.06 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 65 T 8.58 4.80 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 1.15 0.00 0.00 66 R 8.58 3.73 0.00 1.71 1.69 0.00 3.19 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.42 4.64 0.00 3.19 3.29 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 6.71 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.68 4.74 1.79 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 0.71 0.00 0.00 0.98 0.00 0.00 70 I 7.98 4.37 1.82 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 1.21 0.99 0.84 0.00 0.00 71 E 8.65 5.31 0.00 1.91 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 2.52 2.46 0.00 72 S 8.79 4.52 0.00 3.95 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 73 E 8.71 4.89 0.00 1.83 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 2.21 2.29 0.00 74 G 8.69 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 75 K 8.47 4.14 0.00 1.68 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.46 7.81