NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4289 8.3044 120.3273 55.4866 33.3102 174.0191 2 D 4.5504 8.1763 120.8837 51.4906 44.5077 168.7665 3 V 4.5915 8.7163 120.4706 60.1694 35.0578 174.3460 4 E 4.5726 8.7301 120.6402 56.3311 29.8415 176.6366 5 F 4.5485 7.9847 121.6053 56.6497 40.2838 173.1622 6 K 4.5502 7.8063 124.5680 54.2164 36.0416 175.7762 7 C 4.0755 8.6803 121.5084 60.0501 31.4111 174.5880 8 T 3.9608 8.5697 117.8493 63.0956 69.0121 173.9435 9 C 4.3973 6.8089 115.2083 57.2365 31.7715 174.2180 10 S 4.6000 7.8141 110.3810 55.9298 66.8863 177.7594 11 R 3.3259 8.0620 122.3226 59.5032 29.4287 178.2880 12 E 3.9581 8.1229 118.5951 59.2314 29.4502 179.0464 13 R 3.8286 8.0080 118.1757 59.2551 30.0481 178.4234 14 C 4.1947 8.1252 117.8123 62.4295 31.5923 175.2748 15 A 3.6827 8.4756 122.8052 55.1285 17.4977 179.0538 16 D 4.2046 8.3162 116.4263 57.4953 41.0690 178.3269 17 A 4.0579 7.7964 120.2461 54.9109 18.5807 179.1603 18 L 3.8857 7.5726 118.6996 58.1050 41.9713 178.8315 19 K 3.8285 7.8692 118.6876 59.6872 32.0837 178.0770 20 T 4.1346 7.3590 106.8460 62.2726 69.3757 175.1813 21 L 4.1699 7.0409 121.9151 53.5804 42.5229 175.6247 22 P 4.2662 0.0000 0.0000 63.2037 32.6781 177.3330 23 D 4.3871 8.8041 122.3996 57.5598 40.8626 178.9709 24 E 3.9508 8.1168 117.5826 59.2347 29.7331 178.7917 25 E 3.8820 8.0481 119.7806 59.0148 29.9100 178.6979 26 V 3.5595 7.6991 118.3066 66.1240 31.5424 177.4334 27 D 4.3348 8.2937 117.8495 57.4213 40.9447 178.3474 28 S 4.1149 8.2069 115.6499 61.6587 62.7911 176.8095 29 I 3.7162 7.6461 121.9525 64.4437 37.0105 178.4952 30 L 3.9920 7.9343 119.5504 57.6971 41.2519 179.0604 31 A 4.2634 8.2062 118.8588 53.6618 18.4519 177.6105 32 E 4.6067 7.6226 114.1350 56.0272 32.2330 176.2710 33 D 4.6322 8.2752 115.2680 52.3300 42.9242 177.0718 34 G 4.1257 9.2950 105.6337 45.9173 0.0000 172.4315 35 E 4.9720 7.4098 114.4927 55.6201 33.2151 174.5148 36 I 4.7069 9.0745 120.2245 59.5332 41.3894 174.3651 37 D 5.4791 8.9826 125.9554 52.8375 42.8956 174.5325 38 M 4.9722 9.0616 123.1632 53.7640 35.2982 173.6891 39 H 5.2694 8.1935 115.3590 54.2118 30.7054 174.4456 40 C 4.3433 9.2070 122.5992 59.9009 31.8672 174.0857 41 D 4.4393 9.2806 125.5967 56.4544 41.1841 175.9927 42 Y 4.4014 8.1790 115.0318 59.3837 39.1414 175.8964 43 C 4.6602 7.8093 109.3242 56.7858 31.3612 174.8778 44 G 3.9571 8.6185 108.8175 45.5533 0.0000 173.7322 45 N 4.5266 7.7589 118.1234 53.6598 39.5145 174.3085 46 H 5.0998 8.8866 120.3127 56.1191 30.2222 174.1270 47 Y 4.8537 8.9542 117.2048 56.8545 42.8481 173.7422 48 L 5.2945 8.3494 120.7223 53.1796 44.5758 176.0697 49 F 5.0117 9.3329 120.8185 55.7901 43.2886 173.6732 50 N 5.3612 8.7301 119.0138 50.3670 40.8945 174.9849 51 A 4.0036 8.7592 119.6363 55.8432 18.2881 179.6965 52 M 4.0604 8.0864 116.5623 58.4181 32.1619 178.3599 53 D 4.3572 8.6785 118.3897 57.4850 41.3865 178.3768 54 I 3.7818 8.2503 120.4648 64.2843 36.8207 178.2918 55 A 3.9991 7.9222 120.9893 55.1067 18.4531 179.2854 56 E 4.0792 8.1374 116.7393 59.5372 29.5247 179.4764 57 I 3.7270 7.8714 119.8634 64.4958 37.0310 178.4267 58 R 4.1944 8.1573 116.7876 57.8047 29.8470 177.0203 59 N 5.0093 7.7403 114.9241 52.7647 39.3343 174.5374 60 N 4.7792 8.0438 115.3311 53.6057 41.3445 174.6309 61 A 4.7232 8.4352 119.4924 51.6910 19.4191 176.6762 62 S 4.2870 7.8745 120.5682 60.1630 63.7709 174.1298 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 4.43 0.00 2.01 2.07 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 2.50 2.60 0.00 2 D 8.18 4.55 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.72 4.59 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 0.96 0.00 0.00 1.01 0.00 0.00 4 E 8.73 4.57 0.00 2.03 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 2.27 2.30 0.00 5 F 7.98 4.55 0.00 2.94 2.85 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 0.00 0.00 0.00 6 K 7.81 4.55 0.00 1.72 1.65 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.46 7.81 7 C 8.68 4.08 0.00 3.17 3.02 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 8 T 8.57 3.96 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 1.16 0.00 0.00 9 C 6.81 4.40 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.60 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.06 3.33 0.00 1.31 1.64 0.00 2.52 0.00 0.00 2.77 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 12 E 8.12 3.96 0.00 2.05 1.87 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 2.34 2.43 0.00 13 R 8.01 3.83 0.00 2.00 1.86 0.00 3.04 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.99 0.00 14 C 8.13 4.19 0.00 3.21 3.23 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 15 A 8.48 3.68 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.20 0.00 2.88 2.86 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 17 A 7.80 4.06 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 18 L 7.57 3.89 0.00 1.27 1.42 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.87 3.83 0.00 1.92 1.88 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.58 7.81 20 T 7.36 4.13 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 1.26 0.00 0.00 21 L 7.04 4.17 0.00 1.73 1.61 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.27 0.00 2.14 1.98 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 23 D 8.80 4.39 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.95 0.00 2.19 2.21 0.00 0.00 0.00 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 2.36 0.00 25 E 8.05 3.88 0.00 2.05 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 0.00 2.37 2.36 0.00 26 V 7.70 3.56 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 1.00 0.00 0.00 0.94 0.00 0.00 27 D 8.29 4.33 0.00 2.89 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 0.00 0.00 0.00 0.00 28 S 8.21 4.11 0.00 4.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.72 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 1.53 0.75 0.98 0.00 0.00 30 L 7.93 3.99 0.00 1.87 1.73 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.21 4.26 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 32 E 7.62 4.61 0.00 2.06 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 2.23 2.32 0.00 33 D 8.28 4.63 0.00 2.70 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 34 G 9.29 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 0.00 0.00 0.00 0.00 35 E 7.41 4.97 0.00 2.18 1.94 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 2.24 2.33 0.00 36 I 9.07 4.71 2.00 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 1.14 0.75 0.96 0.00 0.00 37 D 8.98 5.48 0.00 2.69 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 38 M 9.06 4.97 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 39 H 8.19 5.27 0.00 3.14 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 9.21 4.34 0.00 3.34 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 41 D 9.28 4.44 0.00 2.71 2.76 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 42 Y 8.18 4.40 0.00 2.98 3.02 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 43 C 7.81 4.66 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.76 4.53 0.00 2.66 2.61 0.00 0.00 7.03 7.92 0.00 0.00 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 H 8.89 5.10 0.00 3.05 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.95 4.85 0.00 3.01 2.33 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 48 L 8.35 5.29 0.00 1.44 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.33 5.01 0.00 2.98 2.89 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 50 N 8.73 5.36 0.00 2.83 2.95 0.00 0.00 6.15 7.60 0.00 0.00 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 A 8.76 4.00 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 52 M 8.09 4.06 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 53 D 8.68 4.36 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 3.78 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.91 0.00 0.00 55 A 7.92 4.00 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 56 E 8.14 4.08 0.00 2.20 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 0.00 2.49 2.50 0.00 57 I 7.87 3.73 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.89 0.00 0.00 58 R 8.16 4.19 0.00 1.98 1.99 0.00 3.11 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 59 N 7.74 5.01 0.00 2.80 2.79 0.00 0.00 6.95 8.15 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 60 N 8.04 4.78 0.00 2.67 2.75 0.00 0.00 6.95 7.96 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 61 A 8.44 4.72 1.27 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 0.00 0.00 0.00 62 S 7.87 4.29 0.00 3.89 3.71 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