NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4261 8.1627 118.3250 55.3023 33.6515 173.2698 2 Q 4.7552 8.2379 120.8183 52.7426 30.9925 172.8392 3 I 4.5776 9.0363 120.4038 59.0120 42.0085 173.5881 4 F 5.4560 8.9853 120.5614 55.7643 42.4593 175.0767 5 V 4.8271 8.6418 120.2820 61.1890 35.0534 174.0766 6 K 4.8827 8.8889 130.0900 54.8319 33.4007 176.1686 7 T 4.3740 8.6317 118.8451 60.9648 69.5549 175.2013 8 L 3.9883 8.3856 123.2568 58.2858 42.0580 177.7631 9 T 4.0092 7.7731 106.3295 62.6080 69.0024 175.0908 10 G 3.9233 8.0281 111.0722 44.9899 0.0000 173.2782 11 K 4.1057 7.8661 122.2331 55.9906 32.7038 175.4480 12 T 4.9892 8.4737 123.6692 62.5084 69.3666 174.1444 13 I 4.7229 8.7581 120.8247 59.3166 40.8176 174.8244 14 T 4.9924 8.3670 112.9619 60.6206 71.0574 173.6568 15 L 4.6791 8.3602 123.9149 53.6860 46.1171 174.3440 16 E 5.0655 8.7226 124.9861 55.0964 30.9100 175.5269 17 V 4.5883 8.9857 117.2059 60.0434 36.6374 174.1076 18 E 4.7628 8.7810 119.9963 53.9592 32.4089 176.2848 19 P 4.2398 0.0000 0.0000 65.3113 31.5706 178.1818 20 S 4.5288 7.8296 110.0569 58.3028 64.0244 174.0149 21 D 4.4344 7.9112 123.6485 54.5371 41.2521 176.3378 22 T 4.7104 8.2600 114.2605 61.2293 71.2928 175.7827 23 I 3.7483 8.4623 122.9112 64.6423 37.1601 178.7470 24 E 3.9908 7.9520 118.6435 59.4045 29.2626 179.0519 25 N 4.3476 7.9819 116.1479 56.2820 38.5724 177.6914 26 V 3.5789 7.7673 119.6284 65.8702 31.6695 178.1972 27 K 4.2305 8.4851 119.4408 58.7857 31.8942 178.9409 28 A 3.9989 7.8612 120.5681 55.4075 18.1843 179.9145 29 K 3.9688 8.0039 116.7197 59.6181 32.0258 179.7298 30 I 3.7563 7.7255 120.3381 64.1161 36.9002 178.2038 31 Q 4.2401 7.9896 121.8887 58.8572 28.7001 177.8818 32 D 4.3272 7.9297 118.7303 56.8923 40.8736 178.2141 33 K 4.2308 7.5084 118.6352 58.2689 32.8121 177.6285 34 E 4.5458 8.8343 116.6964 55.3495 30.1374 177.6519 35 G 3.9055 8.2146 107.4266 45.3336 0.0000 173.7109 36 I 3.9535 7.1438 122.0377 59.7759 37.8370 173.8709 37 P 4.3389 0.0000 0.0000 62.2799 31.9349 175.5834 38 P 4.2611 0.0000 0.0000 65.6410 31.4150 177.9309 39 D 4.4909 8.1091 114.7803 54.9132 39.3587 176.0094 40 Q 4.5066 7.9766 120.7135 56.3528 30.9207 174.8316 41 Q 4.5641 8.4065 119.2119 55.8427 30.6868 175.1469 42 R 4.6776 8.9242 122.3097 54.5352 33.1265 174.5093 43 L 5.0415 8.4239 124.5801 53.4089 43.8190 175.8583 44 I 5.0690 8.7211 123.9863 59.5357 40.9583 174.4250 45 F 5.0082 9.1578 127.8402 57.1445 43.1163 174.1864 46 A 3.4039 8.9068 127.8249 53.1739 15.8498 177.8556 47 G 3.8791 8.3574 104.7126 47.1329 0.0000 174.1968 48 K 4.5490 7.8724 119.4420 53.9928 34.6270 175.0471 49 Q 4.5880 8.5121 124.8613 55.7212 29.6741 175.3104 50 L 3.8513 8.7906 127.7102 54.5776 42.5765 176.5443 51 E 4.3879 9.2030 123.3175 55.6923 30.3981 177.0955 52 D 4.3356 9.1998 124.4633 57.8735 40.9850 178.8525 53 G 3.8855 8.0936 103.1970 46.2122 0.0000 173.1169 54 R 4.5045 7.8233 119.5749 54.6847 32.1849 175.2166 55 T 5.1067 8.1911 109.3882 59.6854 71.3149 175.8435 56 L 4.1058 8.4062 121.3596 57.8744 41.9627 180.1521 57 S 4.1014 8.4190 113.6418 61.3693 63.0173 176.1504 58 D 4.2868 7.8058 119.6828 57.1827 40.5422 176.8588 59 Y 4.5154 7.4434 113.9270 56.9874 37.9155 175.0187 60 N 4.1634 8.2848 116.2645 54.1871 36.7976 175.0820 61 I 3.6399 7.8450 119.1726 60.8130 37.1071 175.8337 62 Q 4.6272 7.8360 125.7161 53.4617 31.2753 174.8734 63 K 3.7856 8.3914 119.2824 58.6231 32.3978 176.6010 64 E 3.9078 8.9619 123.9162 57.3322 27.6992 174.8592 65 S 4.5967 7.6519 115.2360 58.9713 64.3532 173.2987 66 T 5.1781 8.6220 118.7453 62.0891 70.2101 174.1336 67 L 4.8350 9.0854 127.2052 54.2666 44.0727 175.3286 68 H 5.2020 9.1541 118.4791 54.0011 31.6943 172.9999 69 L 4.9799 8.8714 125.7322 53.5160 43.3350 175.5111 70 V 4.4955 8.6279 126.5430 61.1179 34.2243 174.1947 71 L 5.0255 8.3660 126.5922 53.1868 43.6667 176.0692 72 R 4.1733 8.7020 124.1054 55.9669 30.5588 175.6117 73 L 4.7194 8.5540 126.6409 52.9917 43.7126 176.0649 74 R 4.7341 8.5950 121.6718 53.9463 33.7767 175.8250 75 G 3.7717 8.4340 107.3002 46.7603 0.0000 172.9567 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 8.16 4.43 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 Q 8.24 4.76 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 3 I 9.04 4.58 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.84 0.00 0.00 4 F 8.99 5.46 0.00 3.01 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 5 V 8.64 4.83 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 8.89 4.88 0.00 1.80 1.61 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 7 T 8.63 4.37 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 1.25 0.00 0.00 8 L 8.39 3.99 0.00 1.62 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.77 4.01 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 10 G 8.03 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.87 4.11 0.00 1.76 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.47 4.99 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 1.21 0.00 0.00 13 I 8.76 4.72 1.90 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 1.49 0.88 0.97 0.00 0.00 14 T 8.37 4.99 4.15 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 0.00 0.00 0.00 1.36 0.00 0.00 15 L 8.36 4.68 0.00 1.69 1.39 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 5.07 0.00 1.84 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 2.18 2.22 0.00 17 V 8.99 4.59 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 0.62 0.00 0.00 0.90 0.00 0.00 18 E 8.78 4.76 0.00 1.86 1.78 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 2.19 2.37 0.00 19 P 0.00 4.24 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.83 4.53 0.00 3.96 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 21 D 7.91 4.43 0.00 3.00 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 22 T 8.26 4.71 4.44 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 1.22 0.00 0.00 23 I 8.46 3.75 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.06 0.91 0.00 0.00 24 E 7.95 3.99 0.00 2.05 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 2.34 2.49 0.00 25 N 7.98 4.35 0.00 2.96 2.91 0.00 0.00 6.65 7.17 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 26 V 7.77 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 27 K 8.49 4.23 0.00 1.84 1.84 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.46 7.81 28 A 7.86 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.97 0.00 1.99 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.73 3.76 2.03 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 1.40 0.87 0.91 0.00 0.00 31 Q 7.99 4.24 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 7.93 4.33 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 4.23 0.00 1.70 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 34 E 8.83 4.55 0.00 2.06 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 2.44 0.00 35 G 8.21 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 0.00 0.00 0.00 36 I 7.14 3.95 1.87 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 1.30 0.66 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.99 0.00 3.60 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 2.11 2.12 0.00 38 P 0.00 4.26 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 8.11 4.49 0.00 2.78 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 40 Q 7.98 4.51 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 41 Q 8.41 4.56 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 42 R 8.92 4.68 0.00 1.83 1.82 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 43 L 8.42 5.04 0.00 1.56 1.55 0.91 0.92 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 44 I 8.72 5.07 1.91 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 1.27 1.11 0.92 0.00 0.00 45 F 9.16 5.01 0.00 2.96 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 46 A 8.91 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.36 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.55 0.00 1.83 1.71 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.46 7.81 49 Q 8.51 4.59 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 L 8.79 3.85 0.00 1.40 1.35 0.76 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.20 4.39 0.00 2.06 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 2.39 2.50 0.00 52 D 9.20 4.34 0.00 2.76 2.92 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 0.00 0.00 0.00 53 G 8.09 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 54 R 7.82 4.50 0.00 2.16 1.92 0.00 3.19 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 55 T 8.19 5.11 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.41 4.11 0.00 1.90 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.42 4.10 0.00 3.97 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 58 D 7.81 4.29 0.00 2.73 2.37 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 59 Y 7.44 4.52 0.00 2.89 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 60 N 8.28 4.16 0.00 2.89 2.93 0.00 0.00 6.91 7.37 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 61 I 7.84 3.64 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.57 0.00 0.00 62 Q 7.84 4.63 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.39 3.79 0.00 1.69 1.72 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 64 E 8.96 3.91 0.00 2.27 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 0.00 2.38 2.31 0.00 65 S 7.65 4.60 0.00 3.68 3.80 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 66 T 8.62 5.18 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 1.18 0.00 0.00 67 L 9.09 4.84 0.00 1.59 1.61 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.15 5.20 0.00 3.05 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.87 4.98 0.00 1.60 1.71 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.63 4.50 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.37 5.03 0.00 1.57 1.57 0.92 0.96 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 72 R 8.70 4.17 0.00 1.82 1.97 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.55 4.72 0.00 1.64 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.60 4.73 0.00 1.75 1.79 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.43 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00