NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2992 8.4449 120.2202 55.3635 31.1369 175.0530 2 P 4.3263 0.0000 0.0000 61.8887 32.6450 174.8495 3 R 4.4158 8.6604 122.9509 56.1145 31.5401 175.4819 4 A 4.4764 8.5249 123.7683 51.0220 19.9149 177.6759 5 E 4.4747 8.8237 122.1393 55.3487 30.7966 175.9445 6 D 4.9678 8.6114 120.8917 56.2684 41.1899 177.3360 7 G 4.0479 10.0277 113.2762 45.5383 0.0000 173.5093 8 H 4.1303 8.0359 119.4226 58.5381 29.9496 174.9132 9 A 4.2229 8.1728 118.3735 52.4286 21.8942 175.0439 10 H 4.3287 9.1968 115.0157 57.2824 26.4322 175.0011 11 D 4.7029 8.3123 110.5280 55.3344 38.6168 174.1343 12 Y 4.4957 7.9935 119.8481 57.9618 39.6306 175.2682 13 V 4.6336 7.2884 118.9366 59.6207 35.2296 176.3571 14 N 4.2765 8.9081 121.1126 54.4748 38.9603 174.9080 15 E 4.2682 7.4187 118.1731 54.2406 30.8919 175.9708 16 A 3.6589 8.5928 128.9416 55.0449 19.2603 179.2301 17 A 3.7478 7.9688 117.1745 55.4395 18.5355 179.5739 18 D 4.4088 7.7637 114.0899 57.2511 41.1466 177.6121 19 A 4.0758 7.7895 120.5519 51.6570 18.6145 178.5936 20 S 3.9927 7.6269 113.1460 60.9587 62.3525 175.4817 21 G 3.7863 7.5992 106.3960 46.2710 0.0000 173.0745 22 H 4.5753 8.3575 122.0627 54.3537 30.6568 174.3308 23 P 4.2955 0.0000 0.0000 65.4728 31.2378 177.1093 24 R 4.4178 8.1792 116.6290 56.9526 30.6508 175.5050 25 Y 4.2945 7.6159 118.3309 57.8212 39.6909 174.2410 26 Q 4.0593 6.6311 124.4405 53.8679 32.2671 173.7279 27 E 3.7890 8.1906 124.2171 58.1304 29.7655 177.4393 28 G 3.8891 8.7687 111.7466 45.1512 0.0000 173.2971 29 Q 3.9706 7.1518 119.1446 55.2148 29.1284 175.4059 30 L 4.9611 8.7298 121.9104 53.0554 46.3636 176.8461 31 C 4.0861 8.4352 119.3308 63.1191 28.1363 176.3150 32 E 2.5400 7.0664 114.3435 57.1610 29.3919 176.9909 33 N 4.9126 8.1578 117.5503 52.5334 37.9901 173.1515 34 C 4.7029 7.7162 118.5171 57.9581 33.3255 174.6293 35 A 3.9865 8.5978 128.6038 54.9712 18.2280 178.9220 36 F 4.4563 8.0350 113.0921 58.2584 39.5385 175.2297 37 W 4.7477 8.1765 131.9425 57.7347 30.6489 175.7655 38 G 3.7765 8.2401 115.2849 45.0322 0.0000 173.2992 39 E 3.4473 5.9626 118.6873 54.4790 28.6544 173.6763 40 A 4.4971 8.4309 123.1346 52.5775 18.8341 177.7335 41 V 4.0072 8.5794 123.3149 63.9920 32.5274 175.4459 42 Q 4.6561 7.6259 116.4423 53.6335 32.7407 173.7491 43 D 4.7817 8.5746 119.1432 56.3807 39.0364 177.0791 44 G 4.0586 9.3138 112.3562 44.3012 0.0000 170.5128 45 W 5.3510 8.3789 120.1398 55.0601 32.7640 175.0296 46 G 4.1195 9.3735 110.7809 44.8260 0.0000 171.4789 47 R 4.7646 7.6514 117.5444 55.3129 31.8411 175.5768 48 C 5.2890 8.3511 120.9993 57.9254 33.8142 174.3727 49 T 4.1055 9.4368 116.9771 63.3091 69.3408 174.4939 50 H 4.0267 7.8129 125.0156 55.1263 30.1779 174.2096 51 P 4.2670 0.0000 0.0000 65.3750 31.2818 176.9199 52 D 4.5091 8.4093 115.8157 55.3241 41.0638 176.5307 53 F 4.8508 8.2099 118.4216 57.1329 39.6372 175.8341 54 D 4.6207 8.2907 120.1281 54.5998 39.8259 176.4223 55 E 4.3751 8.0896 117.9393 56.6558 30.7251 175.5724 56 V 4.5914 7.5187 110.7625 59.6640 34.8980 174.7070 57 L 4.9296 9.0847 121.1566 53.7170 43.9556 176.6916 58 V 4.9208 8.9264 114.8374 59.5911 35.6648 174.2468 59 K 4.2322 8.7039 123.3365 54.5426 33.2201 176.9996 60 A 3.2327 8.5951 131.1390 55.2399 18.5877 178.5202 61 E 4.4032 7.8528 112.8566 56.1389 29.8054 176.7354 62 G 4.1905 8.5616 111.5326 45.4233 0.0000 172.3361 63 W 4.7154 7.6742 125.1465 56.6007 34.7234 173.5544 64 C 5.1995 7.4930 120.7024 55.9939 32.2605 174.8672 65 S 3.5543 9.0214 116.3360 59.9914 62.9829 175.1089 66 V 4.2780 7.1225 113.2710 61.1609 31.9756 175.4290 67 Y 4.1244 7.1336 119.9850 57.6576 39.3986 174.8178 68 A 4.4466 7.1644 125.9845 49.5397 22.5536 173.7949 69 P 4.4539 0.0000 0.0000 62.3846 32.3180 175.4147 70 A 4.6896 7.8992 122.8060 50.1471 22.9528 176.2805 71 S 4.2459 8.4877 112.1174 58.5796 62.5431 173.8878 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 E 8.44 4.30 0.00 1.96 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 0.00 2.20 2.33 0.00 2 P 0.00 4.33 0.00 2.12 1.91 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 3 R 8.66 4.42 0.00 1.50 1.77 0.00 2.40 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 4 A 8.52 4.48 1.10 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 0.00 0.00 5 E 8.82 4.47 0.00 2.16 1.99 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 2.46 2.39 0.00 6 D 8.61 4.97 0.00 2.74 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 7 G 10.03 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 8 H 8.04 4.13 0.00 3.29 3.40 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.17 4.22 0.52 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 0.00 0.00 10 H 9.20 4.33 0.00 3.47 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.31 4.70 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.50 0.00 3.53 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 13 V 7.29 4.63 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 0.64 0.00 0.00 0.84 0.00 0.00 14 N 8.91 4.28 0.00 2.88 2.87 0.00 0.00 6.70 7.20 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 15 E 7.42 4.27 0.00 1.91 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 2.19 2.22 0.00 16 A 8.59 3.66 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 17 A 7.97 3.75 1.23 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 0.00 0.00 18 D 7.76 4.41 0.00 2.65 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 19 A 7.79 4.08 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 3.99 0.00 3.78 3.83 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 0.00 0.00 0.00 0.00 21 G 7.60 3.79 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 0.00 0.00 0.00 22 H 8.36 4.58 0.00 3.07 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.30 0.00 2.25 2.18 0.00 3.21 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 1.88 1.90 0.00 24 R 8.18 4.42 0.00 2.25 2.52 0.00 3.45 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 25 Y 7.62 4.29 0.00 1.66 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 26 Q 6.63 4.06 0.00 1.87 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 27 E 8.19 3.79 0.00 1.83 1.77 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 2.26 2.21 0.00 28 G 8.77 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 29 Q 7.15 3.97 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 1.47 2.16 0.00 30 L 8.73 4.96 0.00 1.62 1.35 0.97 0.49 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 31 C 8.44 4.09 0.00 2.83 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 32 E 7.07 2.54 0.00 1.19 1.17 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 2.00 1.97 0.00 33 N 8.16 4.91 0.00 2.94 2.96 0.00 0.00 6.34 7.34 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 34 C 7.72 4.70 0.00 3.44 3.17 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 35 A 8.60 3.99 1.06 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 0.00 0.00 0.00 0.00 0.00 36 F 8.03 4.46 0.00 3.12 3.08 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 0.00 37 W 8.18 4.75 0.00 3.50 3.20 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 38 G 8.24 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 5.96 3.45 0.00 2.02 1.90 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 2.38 2.31 0.00 40 A 8.43 4.50 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 41 V 8.58 4.01 2.20 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 0.82 0.00 0.00 0.86 0.00 0.00 42 Q 7.63 4.66 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 43 D 8.57 4.78 0.00 2.78 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 44 G 9.31 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 45 W 8.38 5.35 0.00 3.27 3.24 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 46 G 9.37 4.12 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 0.00 0.00 0.00 47 R 7.65 4.76 0.00 1.62 1.78 0.00 2.99 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 48 C 8.35 5.29 0.00 2.92 2.82 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 0.00 0.00 0.00 49 T 9.44 4.11 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 1.37 0.00 0.00 50 H 7.81 4.03 0.00 1.92 3.08 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.27 0.00 2.03 2.08 0.00 3.09 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 52 D 8.41 4.51 0.00 2.55 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 0.00 0.00 0.00 0.00 53 F 8.21 4.85 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.62 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.38 0.00 1.97 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 2.23 2.24 0.00 56 V 7.52 4.59 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 0.62 0.00 0.00 0.82 0.00 0.00 57 L 9.08 4.93 0.00 1.82 1.91 0.96 1.20 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 58 V 8.93 4.92 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 0.57 0.00 0.00 1.26 0.00 0.00 59 K 8.70 4.23 0.00 0.79 1.40 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.10 0.96 7.81 60 A 8.60 3.23 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 61 E 7.85 4.40 0.00 1.95 1.85 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 2.25 2.24 0.00 62 G 8.56 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 7.67 4.72 0.00 3.26 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 64 C 7.49 5.20 0.00 3.20 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 65 S 9.02 3.55 0.00 3.86 4.04 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 66 V 7.12 4.28 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 0.43 0.00 0.00 0.62 0.00 0.00 67 Y 7.13 4.12 0.00 2.42 2.63 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 68 A 7.16 4.45 0.99 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 0.00 0.00 69 P 0.00 4.45 0.00 1.90 2.01 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 70 A 7.90 4.69 1.17 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 0.00 0.00 71 S 8.49 4.25 0.00 3.82 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