NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3867 8.4045 118.8049 55.8268 32.8341 175.6416 1 S 4.1194 8.9561 120.3770 57.6406 59.4331 165.0000 2 H 4.4539 9.1027 119.3894 56.6198 30.0899 174.6091 3 I 4.4079 8.0837 122.7941 59.5266 39.0480 174.9647 4 Q 4.2978 8.5855 126.0950 54.7987 29.7662 174.6017 5 I 4.3057 8.1687 126.7976 58.8501 38.2359 173.8456 6 P 4.5314 0.0000 0.0000 61.2711 32.2038 174.1981 7 P 4.4333 0.0000 0.0000 64.0678 32.0265 177.0350 8 G 4.1810 8.8559 108.1125 45.6649 0.0000 175.2404 9 L 3.9184 7.5772 121.0528 58.5663 42.0446 178.7826 10 T 3.9174 7.9254 115.0745 66.8849 68.3806 176.2678 11 E 4.0063 8.1807 119.8495 59.1865 29.5468 179.0287 12 L 4.1190 8.1115 120.3859 58.2417 42.1883 179.0214 13 L 4.1932 8.1327 118.8943 57.9644 41.4911 179.4550 14 Q 4.1390 8.5668 118.3922 58.9607 28.5601 179.1806 15 G 3.7600 8.2441 106.6019 48.0520 0.0000 175.0543 16 Y 3.1597 7.8896 121.7362 60.4012 38.7352 178.2113 17 T 3.6691 8.1520 116.7643 66.4906 68.5249 176.7837 18 V 3.5091 8.0179 120.4579 66.0891 31.4594 177.9488 19 E 3.8820 7.7262 118.3819 59.1920 29.2598 179.5254 20 V 3.0561 7.3865 118.1829 65.9616 31.3793 178.2396 21 L 3.9643 7.7937 117.6344 57.0288 41.4158 179.1662 22 R 4.1536 7.5381 115.2750 58.9404 30.1696 178.5665 23 Q 3.9333 8.0156 117.7634 55.6919 30.0704 176.0827 24 Q 3.3112 7.6324 117.8194 56.1218 26.3925 171.8801 25 P 4.3185 0.0000 0.0000 61.7661 32.6034 175.8277 26 P 4.2446 0.0000 0.0000 64.6432 31.9542 176.1392 27 D 4.8026 7.8281 117.6578 51.8701 43.3771 175.8940 28 L 4.2349 8.5178 128.3497 57.6931 41.7869 179.6769 29 V 3.6653 7.9291 117.8729 66.1135 31.6516 177.5198 30 D 4.4465 8.6836 118.8195 57.5430 40.7234 178.6972 31 F 4.4302 8.5388 120.7524 61.1900 39.3035 176.8927 32 A 4.0174 8.5148 120.5372 55.2116 18.2352 179.5964 33 V 3.6065 7.9348 116.6081 66.3941 31.6239 178.0908 34 E 3.9453 8.1437 118.1281 59.4479 29.3078 178.7915 35 Y 3.6697 8.0250 119.7890 60.7673 38.8445 178.1498 36 F 4.2052 8.2674 118.7990 60.4957 38.9753 178.0100 37 T 3.8750 8.0962 115.6339 66.7665 68.2842 176.8976 38 R 3.8901 7.9460 119.8951 59.0422 29.7823 179.0514 39 L 3.7943 7.3938 117.9680 57.7945 41.7776 179.2939 40 R 4.0204 7.9667 118.5036 59.4963 29.5858 178.3862 41 E 3.9512 8.2616 118.2113 59.2015 29.2453 178.7449 42 A 3.9113 7.8303 119.1104 53.6685 18.7812 179.2488 43 R 4.0867 7.6135 116.6342 59.3204 29.7032 177.5101 44 R 4.1072 7.3319 121.9093 56.3692 29.3782 180.6355 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 0 M 8.40 4.39 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 1 S 8.96 4.12 0.00 3.87 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 2 H 9.10 4.45 0.00 3.08 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.08 4.41 1.87 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 1.30 0.84 0.91 0.00 0.00 4 Q 8.59 4.30 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 5 I 8.17 4.31 1.88 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 1.48 1.01 0.92 0.00 0.00 6 P 0.00 4.53 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 7 P 0.00 4.43 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 G 8.86 4.18 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 0.00 0.00 0.00 9 L 7.58 3.92 0.00 1.91 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.93 3.92 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 1.24 0.00 0.00 11 E 8.18 4.01 0.00 2.10 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 0.00 2.43 2.46 0.00 12 L 8.11 4.12 0.00 2.03 1.92 1.23 0.47 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 13 L 8.13 4.19 0.00 1.99 1.81 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.57 4.14 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 15 G 8.24 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 16 Y 7.89 3.16 0.00 2.74 3.13 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 17 T 8.15 3.67 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 18 V 8.02 3.51 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 1.01 0.00 0.00 0.92 0.00 0.00 19 E 7.73 3.88 0.00 1.95 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 2.54 2.64 0.00 20 V 7.39 3.06 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 0.84 0.00 0.00 0.16 0.00 0.00 21 L 7.79 3.96 0.00 1.56 1.65 0.88 1.19 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 22 R 7.54 4.15 0.00 1.92 1.98 0.00 3.04 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 23 Q 8.02 3.93 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 24 Q 7.63 3.31 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 25 P 0.00 4.32 0.00 1.99 1.49 0.00 3.52 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 0.00 26 P 0.00 4.24 0.00 2.20 2.20 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 27 D 7.83 4.80 0.00 2.72 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 28 L 8.52 4.23 0.00 1.85 1.93 0.98 0.81 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 29 V 7.93 3.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 30 D 8.68 4.45 0.00 2.98 2.80 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 31 F 8.54 4.43 0.00 3.25 3.36 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 32 A 8.51 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.61 2.26 0.00 0.00 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 1.00 0.00 0.00 34 E 8.14 3.95 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 35 Y 8.03 3.67 0.00 1.91 2.38 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 36 F 8.27 4.21 0.00 3.21 3.01 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 37 T 8.10 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 R 7.95 3.89 0.00 1.81 1.86 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 39 L 7.39 3.79 0.00 1.70 1.66 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.97 4.02 0.00 1.90 2.06 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 41 E 8.26 3.95 0.00 2.18 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 2.31 2.51 0.00 42 A 7.83 3.91 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 43 R 7.61 4.09 0.00 1.92 2.24 0.00 3.20 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 44 R 7.33 4.11 0.00 1.78 1.75 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00