NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4364 8.3349 116.7942 58.4804 64.3099 172.5763 3 D 4.6785 8.3928 122.0393 51.9108 42.3182 170.9877 4 V 4.2945 8.3829 122.5717 60.8110 34.7580 173.9206 5 L 4.4132 8.4987 128.8793 53.3858 42.9056 174.9854 6 I 4.2856 8.2602 126.5762 59.3567 38.8509 174.9065 7 R 4.3609 8.4273 126.7570 55.9039 31.9341 175.7365 8 D 4.3436 8.4262 117.3535 55.5166 38.1392 174.6255 9 I 4.1032 7.3882 118.1715 59.8574 38.6653 175.7380 10 P 4.4170 0.0000 0.0000 62.4577 33.1693 177.0085 11 D 4.4181 8.7556 120.6969 58.0381 40.8932 179.2059 12 D 4.3560 8.0124 118.6277 56.9254 40.8856 178.8800 13 V 3.5714 7.6878 118.5588 65.9183 31.6057 177.5835 14 L 3.9341 8.0342 119.8785 58.1882 41.8815 178.8249 15 A 3.9629 8.2552 120.8738 55.1018 18.3029 179.6188 16 S 4.0145 8.0151 111.3797 61.3411 62.4447 176.2800 17 L 3.8871 8.0418 121.7527 58.0330 41.4449 179.2243 18 D 4.3035 8.3913 118.7812 57.3747 40.7081 178.8604 19 A 3.9797 7.9902 121.2251 54.9597 18.4551 179.8484 20 I 3.4201 7.7011 118.0956 64.3332 37.1464 178.3184 21 A 3.8420 7.6914 121.3708 55.1825 18.3164 179.4830 22 A 3.8999 7.9230 119.0712 55.4304 18.2500 179.9022 23 R 3.8611 7.7501 115.9417 59.0364 30.2257 177.8909 24 L 4.3945 7.7422 116.3704 54.0495 42.0971 176.8475 25 G 3.8679 7.7967 106.5054 46.6689 0.0000 173.4951 26 L 4.8379 7.7261 118.2417 51.9689 44.6194 177.5686 27 S 4.3898 8.2819 115.9151 57.9510 65.1180 175.2272 28 R 3.9443 8.5780 122.7200 60.1829 29.7348 178.8624 29 T 3.9882 7.8850 108.8688 64.6339 68.9527 176.0872 30 E 3.9014 8.3674 122.2831 59.0265 29.5843 178.0672 31 Y 4.0275 8.2780 119.7640 60.8304 38.8427 178.2249 32 I 3.4373 7.8512 120.5686 64.2235 37.2327 178.2300 33 R 3.8157 8.0565 119.5900 59.7575 29.8729 178.8156 34 R 3.8912 7.9465 117.6190 59.0641 30.0015 179.0975 35 R 3.7250 7.7860 118.8127 59.2332 30.0200 178.5928 36 L 3.9597 8.0660 118.8490 57.5172 41.5645 179.2998 37 A 3.9439 8.0020 120.8223 55.0637 18.1053 179.2737 38 Q 3.8550 7.8394 116.8621 59.3982 29.5233 177.9341 39 D 4.4140 8.0950 118.5036 57.4823 41.1277 178.0072 40 A 4.0313 7.8740 119.6862 54.8788 18.4326 178.6701 41 Q 4.3574 7.8412 113.6418 55.4544 29.3848 175.8600 42 T 4.2329 7.2011 117.7279 62.2049 69.2704 174.6674 43 A 4.0715 8.4653 129.7325 52.0308 19.1164 177.0478 44 R 4.4704 8.3369 121.2508 54.8894 30.2452 176.3646 45 V 4.5128 7.7435 121.1932 60.1615 34.2007 174.4653 46 T 3.9571 8.4163 119.4400 63.5178 68.9090 174.0961 47 V 4.3731 8.3372 125.5762 61.2758 33.2538 175.3148 48 T 4.6030 8.7068 117.8879 59.6773 72.4049 175.0406 49 A 3.9755 8.4678 122.7542 55.5014 18.2232 179.8745 50 A 3.9945 7.9521 118.6296 55.2123 18.4709 179.4469 51 D 4.2869 8.0592 117.5910 57.6168 40.9128 178.9986 52 L 4.0066 7.8842 119.4059 57.7212 41.5771 179.6218 53 R 3.8966 8.1072 118.8261 59.1940 30.1476 178.4730 54 R 3.8494 8.2260 118.8150 59.3248 30.1100 178.1832 55 L 3.9424 8.0343 120.0969 58.2482 42.1704 178.8539 56 R 4.0080 8.0753 118.7616 59.4925 29.7509 178.7488 57 G 3.6346 7.9410 104.3850 47.6010 0.0000 175.2508 58 A 4.2711 7.7477 121.8278 53.7959 18.6116 178.5615 59 V 4.3177 7.7293 109.5631 60.9902 32.4972 177.6175 60 A 3.9736 7.7828 126.1692 55.3645 18.4494 181.0827 61 G 3.7387 8.0862 103.8308 47.8582 0.0000 175.4066 62 L 4.0358 8.2108 120.0892 57.2581 41.6619 178.0983 63 G 3.8590 8.1516 106.1445 45.2979 0.0000 173.5429 64 D 4.7157 7.8772 120.5534 51.9040 42.0119 174.9064 65 P 4.3155 0.0000 0.0000 65.4141 31.4167 178.3198 66 E 3.9403 8.2386 117.9287 59.0786 29.6658 178.3652 67 L 3.9778 8.1002 120.1589 58.5931 41.9495 178.9676 68 M 4.2524 8.0255 117.4317 58.2989 32.1321 178.6682 69 R 4.1865 8.3022 118.5935 59.2613 30.1522 178.6913 70 Q 3.9653 8.3172 119.1756 59.2379 28.8079 178.3063 71 A 3.9499 7.9539 120.6301 53.8435 18.3005 178.0855 72 W 4.5632 7.6142 114.9986 56.5596 29.7711 176.2278 73 R 4.2532 7.8210 123.6632 56.4645 29.5864 176.2780 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 2 S 8.33 4.44 0.00 3.87 3.86 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 0.00 0.00 0.00 3 D 8.39 4.68 0.00 2.74 2.58 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 4 V 8.38 4.29 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 5 L 8.50 4.41 0.00 1.63 1.55 0.92 1.01 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 6 I 8.26 4.29 1.88 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.92 0.00 0.00 7 R 8.43 4.36 0.00 1.84 1.83 0.00 3.41 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 8 D 8.43 4.34 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 9 I 7.39 4.10 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.92 0.00 0.00 10 P 0.00 4.42 0.00 2.16 1.97 0.00 3.62 0.00 0.00 3.95 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 11 D 8.76 4.42 0.00 2.68 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 12 D 8.01 4.36 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.57 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 1.05 0.00 0.00 0.94 0.00 0.00 14 L 8.03 3.93 0.00 1.95 1.79 0.94 0.97 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 15 A 8.26 3.96 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 16 S 8.02 4.01 0.00 3.93 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 17 L 8.04 3.89 0.00 1.91 1.75 0.98 1.13 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 18 D 8.39 4.30 0.00 2.84 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 19 A 7.99 3.98 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 20 I 7.70 3.42 1.38 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 0.31 0.00 0.00 21 A 7.69 3.84 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 3.86 0.00 1.91 2.07 0.00 3.23 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 24 L 7.74 4.39 0.00 1.71 1.73 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.73 4.84 0.00 1.71 1.64 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.28 4.39 0.00 4.07 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 28 R 8.58 3.94 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 29 T 7.89 3.99 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 1.23 0.00 0.00 30 E 8.37 3.90 0.00 2.14 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 0.00 2.33 2.39 0.00 31 Y 8.28 4.03 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 32 I 7.85 3.44 1.88 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 1.49 0.73 0.89 0.00 0.00 33 R 8.06 3.82 0.00 1.94 2.07 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 34 R 7.95 3.89 0.00 1.89 1.88 0.00 3.19 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 35 R 7.79 3.72 0.00 1.21 1.63 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 36 L 8.07 3.96 0.00 1.67 1.66 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.00 3.94 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 38 Q 7.84 3.85 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 39 D 8.10 4.41 0.00 2.91 2.77 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 0.00 0.00 0.00 40 A 7.87 4.03 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 41 Q 7.84 4.36 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 42 T 7.20 4.23 4.34 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 1.21 0.00 0.00 43 A 8.47 4.07 1.24 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 44 R 8.34 4.47 0.00 1.78 1.91 0.00 3.27 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 45 V 7.74 4.51 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 0.68 0.00 0.00 0.93 0.00 0.00 46 T 8.42 3.96 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 47 V 8.34 4.37 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 0.86 0.00 0.00 0.97 0.00 0.00 48 T 8.71 4.60 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 49 A 8.47 3.98 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 50 A 7.95 3.99 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 51 D 8.06 4.29 0.00 2.91 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 52 L 7.88 4.01 0.00 1.85 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.11 3.90 0.00 2.01 2.07 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 54 R 8.23 3.85 0.00 2.01 2.06 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 55 L 8.03 3.94 0.00 1.80 1.82 0.93 0.76 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 56 R 8.08 4.01 0.00 2.01 2.05 0.00 3.32 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 57 G 7.94 3.63 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 58 A 7.75 4.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.73 4.32 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 0.77 0.00 0.00 0.97 0.00 0.00 60 A 7.78 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.09 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.04 0.00 1.71 1.78 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.15 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.88 4.72 0.00 2.73 2.75 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 0.00 0.00 0.00 65 P 0.00 4.32 0.00 2.21 2.10 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 66 E 8.24 3.94 0.00 2.09 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 0.00 2.39 2.44 0.00 67 L 8.10 3.98 0.00 1.98 1.81 0.92 0.92 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 68 M 8.03 4.25 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.89 0.00 69 R 8.30 4.19 0.00 2.05 2.03 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 70 Q 8.32 3.97 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 A 7.95 3.95 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 72 W 7.61 4.56 0.00 3.35 3.25 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 0.00 73 R 7.82 4.25 0.00 1.78 1.85 0.00 3.40 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00