NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4844 8.1927 115.4207 57.6642 64.7544 174.2161 2 L 4.0043 8.5544 122.1026 58.1371 41.7365 175.7417 3 E 4.0153 9.0167 119.3512 59.5618 29.9040 178.6359 4 E 4.0361 8.1915 118.2355 59.5326 29.5130 179.6889 5 R 4.0292 8.3153 118.1817 59.1492 30.1194 179.2896 6 V 3.9825 8.2992 118.2127 66.0490 31.5695 178.1867 7 K 4.0614 8.3654 118.3314 59.5625 31.8305 178.9251 8 E 4.0096 8.4030 119.4956 59.2080 29.6823 178.7757 9 I 3.6874 7.8979 119.8896 64.6002 37.1532 178.5077 10 I 3.7683 8.0093 120.2298 64.3635 36.9683 178.4055 11 A 4.0214 8.5616 122.1045 55.1405 17.9739 179.3105 12 E 3.8700 8.2983 117.2714 59.2816 29.7610 178.6032 13 Q 4.0442 7.7975 118.3035 58.8345 29.3796 177.2616 14 L 4.4294 8.2020 117.6295 53.7930 42.4953 176.6350 15 G 3.8917 8.2264 106.7112 46.9255 0.0000 173.9167 16 V 4.4581 7.5740 110.7958 58.5928 34.6235 175.8476 17 E 4.1407 8.4496 123.3921 55.9188 30.3907 178.1639 18 K 4.0675 8.7028 124.4779 59.4614 32.3694 179.0195 19 E 4.0586 8.2099 117.0549 58.4539 29.4331 177.5328 20 K 4.3827 7.8578 116.3635 56.5237 32.9152 177.5785 21 I 4.1545 7.4383 122.2152 59.9189 35.6993 175.0509 22 T 4.5660 7.3628 113.8638 58.8473 71.4991 174.7990 23 P 4.2271 0.0000 0.0000 65.9422 31.3361 178.0228 24 E 4.1223 7.9601 113.7441 56.6029 30.1422 176.3818 25 A 4.1832 7.7922 124.4382 51.7592 19.0429 176.9206 26 K 4.5245 9.3337 123.9758 55.5076 33.2814 178.0127 27 F 4.2506 8.5602 123.2685 60.9587 38.8104 177.8681 28 V 3.9912 7.7236 119.0333 65.2706 31.8507 177.8038 29 E 4.0339 8.1970 118.6232 58.7870 29.6519 177.7272 30 D 4.6982 8.1739 116.9604 54.8844 42.1639 177.1649 31 L 4.4975 7.9439 115.7123 53.7467 42.1723 176.4026 32 G 3.8987 7.8747 105.7543 46.2838 0.0000 174.0125 33 A 4.2996 8.3106 123.5687 51.6286 19.1226 178.4154 34 D 4.8485 8.9456 123.5551 51.7732 43.0245 177.6525 35 S 4.1040 8.4510 113.5088 61.7842 62.5786 176.1884 36 L 3.9269 7.8994 123.3545 57.7773 41.8715 178.3094 37 D 4.2803 8.9449 119.2657 57.4276 40.7891 179.0048 38 V 3.3990 7.7002 118.5244 65.9504 31.5274 178.1761 39 V 3.5361 7.5167 117.4584 66.1837 31.3742 177.9256 40 E 3.9473 8.3949 118.4659 59.0342 29.1185 179.3895 41 L 3.4495 8.0365 119.6118 57.5702 41.6466 179.4507 42 I 3.8402 7.4931 119.6295 64.7932 37.0871 178.2968 43 M 4.2074 7.9849 119.1468 58.4662 31.7143 178.8015 44 A 3.9364 7.9213 120.7797 55.0797 18.5251 179.6425 45 F 4.6964 8.0726 116.7065 60.8620 39.1040 177.7755 46 E 4.2619 8.4087 119.4766 58.9120 29.2402 179.0021 47 E 3.9365 8.2265 119.1648 59.5698 29.5625 178.8082 48 E 3.9848 8.4929 117.4872 58.4213 29.5264 178.3093 49 F 4.7278 8.1368 115.0576 55.8241 39.7459 175.6702 50 G 4.0458 7.8973 105.4533 46.5844 0.0000 173.1739 51 I 4.7750 7.7879 110.5870 58.7332 41.0949 173.4337 52 E 4.9004 8.6662 119.1682 54.6319 31.5152 176.4245 53 I 4.4606 8.8102 125.2816 58.3419 37.6050 174.2847 54 P 4.4173 0.0000 0.0000 62.5774 33.1810 176.4490 55 D 4.4138 8.7788 120.2511 57.7699 40.5595 179.2279 56 E 3.9473 8.1616 115.8104 59.9540 29.7032 178.6102 57 D 4.3904 8.0783 119.6476 56.4992 40.9533 178.2394 58 A 3.9252 8.2556 121.6559 55.4232 18.1117 179.5604 59 E 3.9884 7.9198 115.5309 58.9900 29.5817 178.8059 60 K 4.4965 7.7525 116.0962 56.0639 33.0240 177.4910 61 I 4.1674 7.3890 121.3203 60.2726 36.0536 174.7420 62 Q 4.6395 9.4155 125.1109 55.8907 30.7547 176.0223 63 T 4.5646 7.5827 106.0615 58.6378 72.1474 174.8678 64 V 3.5149 7.8090 121.2870 66.0097 31.2884 178.2888 65 G 3.6125 8.2362 105.8588 47.8198 0.0000 175.2839 66 D 4.3519 7.9325 121.1682 57.2372 40.7886 179.1665 67 V 3.4096 7.4708 118.5593 65.8634 31.3734 178.1404 68 I 3.5592 7.7304 119.4825 64.4835 36.8592 178.1880 69 N 4.2818 8.4887 117.7092 56.3120 38.3268 176.8400 70 Y 4.0483 8.1763 120.9435 60.7943 38.8984 178.1681 71 L 3.7377 8.1303 120.1207 57.6729 41.4347 179.5964 72 K 3.7764 7.9427 117.5790 59.4812 32.0104 178.7315 73 E 4.1201 7.5878 117.8743 58.7013 29.6719 178.5886 74 K 3.9548 7.7700 118.9889 58.1907 32.3492 176.7877 75 V 3.9510 8.0957 122.9062 62.8534 31.6873 174.6884 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 S 8.19 4.48 0.00 4.16 4.11 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 0.00 0.00 0.00 2 L 8.55 4.00 0.00 1.89 1.75 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.02 4.02 0.00 2.13 2.01 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 2.41 2.47 0.00 4 E 8.19 4.04 0.00 2.24 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 2.36 2.39 0.00 5 R 8.32 4.03 0.00 2.29 2.00 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 6 V 8.30 3.98 2.34 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 1.16 0.00 0.00 1.03 0.00 0.00 7 K 8.37 4.06 0.00 2.07 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.73 7.81 8 E 8.40 4.01 0.00 2.13 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 0.00 2.32 2.41 0.00 9 I 7.90 3.69 2.29 0.00 0.00 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 1.54 1.23 0.60 0.00 0.00 10 I 8.01 3.77 2.05 0.00 0.00 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 1.84 1.22 1.14 0.00 0.00 11 A 8.56 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.87 0.00 2.09 2.12 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 2.30 2.30 0.00 13 Q 7.80 4.04 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 14 L 8.20 4.43 0.00 1.75 1.74 1.14 1.01 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 15 G 8.23 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 16 V 7.57 4.46 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 0.78 0.00 0.00 0.99 0.00 0.00 17 E 8.45 4.14 0.00 2.01 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 2.39 2.34 0.00 18 K 8.70 4.07 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.50 7.81 19 E 8.21 4.06 0.00 1.94 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 2.32 2.40 0.00 20 K 7.86 4.38 0.00 1.87 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.54 7.81 21 I 7.44 4.15 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.99 0.00 0.00 22 T 7.36 4.57 4.22 0.00 0.00 0.00 0.00 0.00 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 23 P 0.00 4.23 0.00 2.16 2.13 0.00 3.56 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 2.10 2.11 0.00 24 E 7.96 4.12 0.00 1.91 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 2.26 2.21 0.00 25 A 7.79 4.18 1.21 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 0.00 0.00 0.00 0.00 0.00 26 K 9.33 4.52 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.35 7.81 27 F 8.56 4.25 0.00 3.17 3.10 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 28 V 7.72 3.99 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 1.17 0.00 0.00 1.00 0.00 0.00 29 E 8.20 4.03 0.00 1.98 2.00 0.00 0.00 0.00 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 2.40 0.00 30 D 8.17 4.70 0.00 2.83 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 31 L 7.94 4.50 0.00 1.93 1.77 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.87 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 0.00 0.00 0.00 33 A 8.31 4.30 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 34 D 8.95 4.85 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.10 0.00 4.06 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 36 L 7.90 3.93 0.00 1.76 1.83 0.89 1.25 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 D 8.94 4.28 0.00 2.90 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 38 V 7.70 3.40 2.18 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 0.95 0.00 0.00 0.99 0.00 0.00 39 V 7.52 3.54 2.19 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 0.94 0.00 0.00 0.91 0.00 0.00 40 E 8.39 3.95 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 2.27 2.48 0.00 41 L 8.04 3.45 0.00 1.48 1.09 0.38 0.30 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 42 I 7.49 3.84 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.07 0.94 0.00 0.00 43 M 7.98 4.21 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 44 A 7.92 3.94 1.11 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 0.00 0.00 0.00 0.00 0.00 45 F 8.07 4.70 0.00 3.29 3.14 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 0.00 0.00 0.00 0.00 46 E 8.41 4.26 0.00 2.27 2.18 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 2.52 2.50 0.00 47 E 8.23 3.94 0.00 2.09 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 0.00 2.30 2.48 0.00 48 E 8.49 3.98 0.00 1.96 1.51 0.00 0.00 0.00 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 2.40 0.00 49 F 8.14 4.73 0.00 3.31 3.12 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 50 G 7.90 4.05 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 0.00 0.00 0.00 51 I 7.79 4.78 1.93 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 1.47 1.08 1.06 0.00 0.00 52 E 8.67 4.90 0.00 1.99 1.92 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 0.00 2.24 2.26 0.00 53 I 8.81 4.46 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.80 0.00 0.00 54 P 0.00 4.42 0.00 2.28 2.22 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 55 D 8.78 4.41 0.00 2.70 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 56 E 8.16 3.95 0.00 2.12 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 2.30 2.44 0.00 57 D 8.08 4.39 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.93 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 59 E 7.92 3.99 0.00 2.13 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 2.54 2.49 0.00 60 K 7.75 4.50 0.00 1.82 1.80 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 61 I 7.39 4.17 2.02 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 1.07 0.00 0.00 62 Q 9.42 4.64 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 63 T 7.58 4.56 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 1.11 0.00 0.00 64 V 7.81 3.51 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 1.00 0.00 0.00 0.76 0.00 0.00 65 G 8.24 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.93 4.35 0.00 2.91 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 67 V 7.47 3.41 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 -0.01 0.00 0.00 0.88 0.00 0.00 68 I 7.73 3.56 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 1.47 0.64 0.87 0.00 0.00 69 N 8.49 4.28 0.00 2.70 2.86 0.00 0.00 6.72 7.12 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 70 Y 8.18 4.05 0.00 3.08 3.04 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 0.00 0.00 0.00 71 L 8.13 3.74 0.00 1.43 1.20 -0.04 0.84 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 72 K 7.94 3.78 0.00 1.80 1.83 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.66 7.81 73 E 7.59 4.12 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 74 K 7.77 3.95 0.00 1.29 1.47 0.00 1.05 0.00 0.00 1.36 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.23 7.81 75 V 8.10 3.95 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 0.90 0.00 0.00 0.93 0.00 0.00