NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6249 8.2233 120.5289 53.7439 42.4413 175.7152 2 S 3.8051 8.5655 115.5006 61.7873 62.3076 173.6461 3 E 3.9928 9.1314 122.2198 59.7268 29.0406 178.7639 4 M 4.1589 8.7333 119.0352 57.9981 31.8331 177.4528 5 C 4.0838 8.5001 115.4255 58.4077 40.5977 175.3828 6 K 3.9807 7.4512 120.2514 58.8530 32.9343 177.0600 7 D 4.7473 7.7026 116.9051 53.3370 41.6838 172.0820 8 Y 4.8475 7.7159 118.6759 55.2070 41.4740 175.6884 9 R 4.1628 7.8263 117.0615 54.5852 34.0891 175.0575 10 V 4.8353 7.8009 119.6921 59.9173 34.7777 174.1997 11 L 4.9346 8.1198 124.6319 51.8422 45.4516 175.6605 12 P 4.5816 0.0000 0.0000 65.1491 31.3913 177.4526 13 R 4.4581 7.8508 116.1117 56.9034 31.8710 177.3166 14 I 3.9609 7.9356 117.7358 62.3897 38.7659 177.3562 15 G 3.8494 8.4391 109.8756 46.7753 0.0000 172.1843 16 Y 4.7030 8.5936 124.3962 55.5229 41.1871 174.7074 17 L 4.8555 7.9821 124.2730 53.2359 43.9057 176.7464 18 C 5.1088 8.4459 119.3831 54.2828 44.3446 171.9244 19 P 4.5617 0.0000 0.0000 62.5754 31.6265 176.3045 20 K 4.1407 8.3393 118.8931 57.8175 32.5506 176.5578 21 D 4.3903 7.9429 119.0846 54.2286 40.9845 175.2597 22 L 4.2773 8.4121 126.8082 54.2052 42.7895 176.0155 23 K 4.5949 8.3354 125.5620 54.2189 35.7140 174.1470 24 P 5.3272 0.0000 0.0000 62.6538 32.3294 175.8470 25 V 4.9115 8.9027 117.6359 59.5347 35.2262 173.7412 26 C 4.9143 9.2129 123.6082 55.3955 46.4448 172.5191 27 G 4.5540 9.3455 114.0001 44.4670 0.0000 174.5136 28 D 4.6376 8.8414 123.4481 55.3209 39.5449 176.6872 29 D 4.6173 8.1291 119.1645 54.2655 40.8308 176.8828 30 G 3.8975 8.3547 106.8293 45.6366 0.0000 173.4942 31 Q 4.6559 7.6472 117.2849 53.9714 32.4381 174.4899 32 T 4.7439 7.9305 116.8190 61.9019 71.8602 173.1290 33 Y 4.2300 8.4761 121.7699 56.3789 40.8391 174.9697 34 N 4.0092 9.4455 121.5104 57.6428 39.2236 173.4922 35 N 4.9368 7.9491 114.9081 52.2833 40.9286 174.4980 36 P 4.2451 0.0000 0.0000 66.4535 31.1075 179.3819 37 C 4.2769 8.7036 119.4211 59.1196 41.7335 175.2498 38 M 3.7222 7.8894 118.9256 57.3553 31.3024 178.4794 39 L 2.6826 7.8495 121.6016 57.9472 42.3208 177.7534 40 C 3.7094 7.2629 117.0702 59.8690 41.2254 174.9845 41 H 3.5362 6.9044 118.2319 59.1996 29.3992 176.7503 42 E 3.9940 7.8524 120.3214 58.7013 29.2745 178.2682 43 N 4.3709 8.2561 116.9238 56.0849 38.4581 177.2321 44 L 4.1777 7.5472 119.8032 57.3225 41.7823 179.3156 45 I 3.9026 7.4467 118.6952 64.5030 37.4713 178.0709 46 R 4.0958 7.8169 117.1162 56.5741 30.1752 176.8207 47 Q 3.7173 8.2393 116.4082 57.3680 26.5946 174.0916 48 T 4.3245 7.9989 105.1504 60.7945 69.8663 173.3651 49 N 4.1647 7.9214 117.4818 54.8329 35.3949 174.7981 50 T 3.9543 7.9769 114.5398 63.7416 69.6920 174.6799 51 H 5.2160 8.5943 123.5319 53.2349 32.5795 172.6457 52 I 4.5722 8.1904 119.7792 61.3751 37.1803 176.5355 53 R 4.1785 9.8698 129.3047 59.2478 30.6700 176.3663 54 S 4.7870 7.6724 110.8062 57.1020 65.7615 174.3607 55 T 4.1388 8.4639 115.3708 62.7048 69.2368 175.2209 56 G 4.0265 8.6870 108.6505 44.8598 0.0000 173.2553 57 K 3.9275 8.2197 119.6050 56.1858 32.4072 176.9251 58 C 4.3108 8.1453 121.8267 57.3048 38.4908 174.0355 59 E 4.3621 8.5398 118.4083 56.5732 29.1864 177.4384 60 E 3.9476 7.7333 119.0476 59.4855 29.7929 178.1630 61 S 4.2177 8.1527 112.4067 61.0869 62.9874 175.0111 62 S 4.3153 7.6010 114.5201 57.6478 62.3977 174.0879 63 T 4.0270 8.2223 111.5800 61.1339 68.9400 173.5822 64 P 4.2412 0.0000 0.0000 64.8986 31.7754 176.6130 65 G 3.9839 7.1307 108.2540 44.7308 0.0000 172.4709 66 T 4.6748 7.9802 114.6370 61.5246 71.2394 175.8638 67 T 3.9242 8.4529 114.7788 64.2951 69.5332 176.3967 68 A 4.0039 8.0974 123.9364 55.0159 18.0803 179.1897 69 A 4.0300 7.7436 118.3302 55.0612 18.4457 179.6813 70 S 4.2081 7.8476 112.3753 61.4985 63.1194 176.0458 71 M 4.0809 7.5918 121.9490 57.1215 32.2192 175.1733 72 P 4.4220 0.0000 0.0000 61.6200 32.3178 174.3096 73 P 4.5639 0.0000 0.0000 62.8428 32.1452 175.6255 74 S 4.6905 8.0439 113.7147 56.4644 66.5751 174.0491 75 D 4.4320 8.8324 123.4475 57.4620 41.2344 175.8914 76 E 4.3876 7.8470 122.9842 56.7782 29.4968 174.7062 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 D 8.22 4.62 0.00 2.72 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 2 S 8.57 3.81 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 3 E 9.13 3.99 0.00 2.01 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 2.41 2.42 0.00 4 M 8.73 4.16 0.00 2.03 2.18 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 2.65 2.88 0.00 5 C 8.50 4.08 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.98 0.00 1.91 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.71 7.81 7 D 7.70 4.75 0.00 2.48 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 8 Y 7.72 4.85 0.00 2.96 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 9 R 7.83 4.16 0.00 1.62 1.65 0.00 3.06 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 10 V 7.80 4.84 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 1.11 0.00 0.00 11 L 8.12 4.93 0.00 1.71 1.50 0.87 0.99 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 12 P 0.00 4.58 0.00 2.18 2.19 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 R 7.85 4.46 0.00 1.80 2.00 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 14 I 7.94 3.96 1.86 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 1.34 0.48 0.89 0.00 0.00 15 G 8.44 3.85 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 0.00 0.00 0.00 16 Y 8.59 4.70 0.00 3.10 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 17 L 7.98 4.86 0.00 1.60 1.56 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.45 5.11 0.00 2.93 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 19 P 0.00 4.56 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 20 K 8.34 4.14 0.00 1.74 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 21 D 7.94 4.39 0.00 2.71 2.61 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 22 L 8.41 4.28 0.00 1.60 1.57 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.34 4.59 0.00 1.63 1.68 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 24 P 0.00 5.33 0.00 2.22 2.20 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 25 V 8.90 4.91 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 0.86 0.00 0.00 1.13 0.00 0.00 26 C 9.21 4.91 0.00 3.09 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 27 G 9.35 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.64 0.00 2.84 2.87 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 29 D 8.13 4.62 0.00 2.72 2.74 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 30 G 8.35 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 31 Q 7.65 4.66 0.00 1.85 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 32 T 7.93 4.74 4.08 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 0.00 0.00 0.00 1.22 0.00 0.00 33 Y 8.48 4.23 0.00 2.88 2.79 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 0.00 0.00 0.00 0.00 34 N 9.45 4.01 0.00 2.73 2.69 0.00 0.00 6.86 6.71 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 35 N 7.95 4.94 0.00 2.76 2.65 0.00 0.00 6.75 7.71 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 36 P 0.00 4.25 0.00 2.29 2.29 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 37 C 8.70 4.28 0.00 3.01 3.27 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 38 M 7.89 3.72 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 39 L 7.85 2.68 0.00 1.44 1.49 1.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.26 3.71 0.00 2.79 2.44 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 41 H 6.90 3.54 0.00 2.88 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.85 3.99 0.00 1.95 1.65 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 2.73 2.49 0.00 43 N 8.26 4.37 0.00 2.71 2.76 0.00 0.00 6.73 6.41 0.00 0.00 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 L 7.55 4.18 0.00 1.72 1.80 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.45 3.90 1.85 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 1.80 0.67 0.91 0.00 0.00 46 R 7.82 4.10 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 47 Q 8.24 3.72 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 48 T 8.00 4.32 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 1.26 0.00 0.00 49 N 7.92 4.16 0.00 2.90 2.99 0.00 0.00 7.08 7.57 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 50 T 7.98 3.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 51 H 8.59 5.22 0.00 3.11 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.19 4.57 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 1.05 0.00 0.00 53 R 9.87 4.18 0.00 1.78 1.97 0.00 3.31 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 54 S 7.67 4.79 0.00 3.91 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 55 T 8.46 4.14 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 56 G 8.69 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.22 3.93 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 58 C 8.15 4.31 0.00 2.93 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 59 E 8.54 4.36 0.00 1.99 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 2.28 0.00 60 E 7.73 3.95 0.00 1.98 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 2.30 2.23 0.00 61 S 8.15 4.22 0.00 4.00 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 62 S 7.60 4.32 0.00 4.01 3.91 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 0.00 0.00 0.00 63 T 8.22 4.03 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 1.20 0.00 0.00 64 P 0.00 4.24 0.00 2.19 2.21 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 65 G 7.13 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 0.00 0.00 0.00 66 T 7.98 4.67 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 1.22 0.00 0.00 67 T 8.45 3.92 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 68 A 8.10 4.00 1.33 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 0.00 0.00 69 A 7.74 4.03 1.31 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 0.00 0.00 0.00 70 S 7.85 4.21 0.00 4.05 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 71 M 7.59 4.08 0.00 2.02 2.46 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 72 P 0.00 4.42 0.00 2.17 2.05 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 73 P 0.00 4.56 0.00 2.20 2.10 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 74 S 8.04 4.69 0.00 3.81 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 75 D 8.83 4.43 0.00 2.61 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 76 E 7.85 4.39 0.00 1.90 1.72 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 2.12 2.22 0.00