NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3491 8.1233 123.5821 52.3464 21.1093 179.1586 3 N 4.1320 8.1081 113.1540 55.6125 38.6595 175.6972 4 L 4.0637 8.6379 122.5372 57.9870 42.6499 178.2121 5 N 4.2794 8.0767 116.0694 56.2608 38.5801 176.6609 6 Q 3.9245 7.9166 120.7497 59.4203 29.0603 178.4597 7 I 3.6540 8.1709 120.8678 64.6564 37.2034 178.1538 8 Q 3.9751 8.5647 120.4276 59.0019 28.9222 178.3828 9 K 3.9043 8.0380 119.4652 59.5960 32.0738 179.0382 10 E 3.9412 8.1040 118.6774 59.4854 29.3295 179.4260 11 V 3.5766 8.1405 118.5612 66.4500 31.5097 178.3154 12 S 4.1335 8.0878 114.6541 61.4726 62.6469 176.3036 13 E 3.9853 8.1208 122.0147 59.0391 29.2716 178.8611 14 I 3.6823 8.0651 120.3461 64.2553 37.2546 177.9152 15 L 3.9361 8.2131 121.7114 58.3041 41.8174 179.2560 16 S 4.1574 7.9367 113.5231 61.2908 63.1940 175.8648 17 D 4.3171 8.1241 122.6323 57.2175 40.5631 178.3284 18 Q 3.9177 8.1630 119.9807 59.5296 29.0198 179.0265 19 K 3.9020 7.8737 119.1504 59.6859 32.0586 179.4660 20 S 4.1590 7.9460 113.9650 61.5672 63.0753 176.3584 21 M 4.0036 8.0100 122.3637 57.9039 31.6427 178.1873 22 K 3.7405 8.3317 119.8992 59.8594 32.1817 178.2887 23 A 3.9943 7.8978 120.3323 55.4367 18.3159 179.4100 24 D 4.3102 8.5435 117.6758 57.3531 40.9133 178.9970 25 I 3.6398 8.2692 120.6974 64.3888 37.1058 178.0488 26 K 3.7895 8.3591 120.5182 59.8788 31.7555 178.4584 27 A 3.9869 7.7924 120.4399 55.0596 18.2712 179.6563 28 I 3.6259 7.7097 118.3274 64.3249 37.0876 178.3892 29 L 3.9063 7.9925 121.0901 58.2096 41.9448 178.4470 30 E 3.8881 8.3430 119.4154 59.3296 29.2451 178.6780 31 L 3.9709 7.8778 119.4591 57.9744 42.5677 178.6355 32 L 4.2257 8.1699 119.1661 57.9053 41.4295 179.7602 33 G 3.6697 8.1817 106.9830 48.2727 0.0000 174.3257 34 S 4.3598 7.7351 111.7297 58.3784 63.5968 173.6207 35 Q 4.3187 7.7468 123.9555 54.4807 29.1828 175.0021 36 N 4.4609 8.6139 123.2574 52.0572 38.0981 173.6069 37 P 4.3081 0.0000 0.0000 62.7070 32.8556 177.4400 38 I 3.6873 8.5278 123.8148 64.4805 37.1304 178.3977 39 K 3.8534 8.1007 118.9399 60.1967 31.8994 178.5665 40 E 3.9168 7.9986 119.9160 58.8877 29.6415 178.7521 41 S 4.1393 8.2410 115.2362 61.7731 62.9833 176.4499 42 L 3.9993 8.5381 121.9200 58.1376 41.2474 179.7199 43 E 3.9821 8.0658 117.8087 59.7300 29.4888 179.5061 44 T 3.8735 7.6401 115.6457 66.6055 68.4892 177.0130 45 V 3.6297 7.7669 119.6834 65.6285 31.4670 177.9791 46 A 3.9643 8.2208 120.5577 55.0340 18.2249 179.1912 47 A 3.9345 8.3015 119.6382 55.4268 18.3590 180.0876 48 K 3.9163 8.0009 116.5485 59.5858 32.1651 179.5833 49 I 3.6903 7.7211 119.9571 64.5782 37.0071 178.9791 50 V 3.5966 7.9343 113.1603 64.3650 31.4376 178.0223 51 N 4.2497 7.9439 116.3624 57.0357 38.6193 176.6007 52 D 4.4047 8.2843 120.0803 57.1282 41.1064 178.5887 53 L 4.1547 7.9694 118.8550 57.1227 41.5560 179.6737 54 T 3.8721 8.0199 116.7034 66.4628 68.2430 176.5640 55 K 3.8509 7.6581 118.9961 59.5283 32.4270 178.7132 56 L 4.0873 7.6586 120.0258 58.4266 42.1078 179.1415 57 I 3.7696 7.6691 119.5458 64.3268 36.8663 177.6608 58 N 4.6164 8.4400 115.0863 54.6540 38.4758 175.9313 59 D 4.5810 7.9753 119.6983 53.3810 43.1558 175.8255 60 C 4.1945 7.8593 116.5986 60.0741 25.7876 171.8792 61 P 4.3546 0.0000 0.0000 65.7861 32.0204 178.9538 62 C 4.0223 7.9731 114.2709 61.4819 28.9103 175.3138 63 N 4.3893 7.8704 116.8844 56.4313 37.9257 177.0134 64 K 3.8809 7.5576 119.2960 59.5410 31.7770 178.8586 65 E 3.9350 7.7918 118.1562 59.4947 29.7246 179.0574 66 I 3.7950 7.5786 119.3054 64.2655 37.2017 178.2573 67 L 4.0446 8.3488 120.3378 57.6412 41.3728 179.2913 68 E 3.9297 8.0096 118.6096 59.5097 29.2319 179.3395 69 A 4.1505 7.5529 118.8243 54.1135 18.3734 178.3831 70 L 4.6180 7.5603 116.2273 53.9063 42.8130 176.5119 71 G 4.0587 7.9546 105.5470 46.3638 0.0000 173.5833 72 T 4.6905 8.1037 110.9879 60.3025 70.9454 172.2741 73 Q 4.7513 8.2875 122.5866 53.2345 32.0268 174.1983 74 P 4.4349 0.0000 0.0000 63.1177 31.6557 175.9995 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 2 A 8.12 4.35 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 3 N 8.11 4.13 0.00 2.83 2.87 0.00 0.00 6.77 5.85 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 4 L 8.64 4.06 0.00 1.75 1.66 0.92 0.66 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 5 N 8.08 4.28 0.00 2.90 2.85 0.00 0.00 6.76 7.47 0.00 0.00 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 Q 7.92 3.92 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 7 I 8.17 3.65 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 1.41 0.54 0.91 0.00 0.00 8 Q 8.56 3.98 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 K 8.04 3.90 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.76 7.81 10 E 8.10 3.94 0.00 2.18 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 2.33 2.32 0.00 11 V 8.14 3.58 2.23 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 1.12 0.00 0.00 0.95 0.00 0.00 12 S 8.09 4.13 0.00 4.09 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 13 E 8.12 3.99 0.00 2.07 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 2.35 0.00 14 I 8.07 3.68 2.02 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 1.41 0.57 0.91 0.00 0.00 15 L 8.21 3.94 0.00 1.73 1.85 0.92 0.76 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 16 S 7.94 4.16 0.00 4.09 4.10 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 17 D 8.12 4.32 0.00 3.05 2.77 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 18 Q 8.16 3.92 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 19 K 7.87 3.90 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.61 7.81 20 S 7.95 4.16 0.00 4.03 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 21 M 8.01 4.00 0.00 2.11 2.29 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 2.74 2.55 0.00 22 K 8.33 3.74 0.00 1.92 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 23 A 7.90 3.99 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 24 D 8.54 4.31 0.00 2.80 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 25 I 8.27 3.64 2.02 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 1.41 0.97 0.91 0.00 0.00 26 K 8.36 3.79 0.00 1.89 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 27 A 7.79 3.99 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 28 I 7.71 3.63 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 1.41 0.62 0.91 0.00 0.00 29 L 7.99 3.91 0.00 1.89 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.34 3.89 0.00 2.14 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 2.31 2.33 0.00 31 L 7.88 3.97 0.00 1.79 1.80 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.17 4.23 0.00 1.73 1.69 0.92 0.73 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 33 G 8.18 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 0.00 0.00 0.00 34 S 7.74 4.36 0.00 3.98 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 35 Q 7.75 4.32 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 36 N 8.61 4.46 0.00 2.85 2.81 0.00 0.00 6.31 7.75 0.00 0.00 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 P 0.00 4.31 0.00 2.18 2.02 0.00 3.76 0.00 0.00 3.77 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 38 I 8.53 3.69 1.87 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 1.69 0.80 0.91 0.00 0.00 39 K 8.10 3.85 0.00 1.97 2.08 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 40 E 8.00 3.92 0.00 2.05 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 2.37 2.40 0.00 41 S 8.24 4.14 0.00 4.03 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 42 L 8.54 4.00 0.00 1.96 1.74 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.07 3.98 0.00 2.17 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 2.33 2.48 0.00 44 T 7.64 3.87 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 45 V 7.77 3.63 2.08 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 1.01 0.00 0.00 1.00 0.00 0.00 46 A 8.22 3.96 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 47 A 8.30 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.92 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 49 I 7.72 3.69 1.98 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 1.52 0.91 0.91 0.00 0.00 50 V 7.93 3.60 2.08 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 0.79 0.00 0.00 1.02 0.00 0.00 51 N 7.94 4.25 0.00 2.97 2.99 0.00 0.00 7.29 9.28 0.00 0.00 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 D 8.28 4.40 0.00 2.79 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 53 L 7.97 4.15 0.00 1.77 1.71 0.92 0.73 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 54 T 8.02 3.87 4.43 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 1.21 0.00 0.00 55 K 7.66 3.85 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 56 L 7.66 4.09 0.00 1.70 1.82 0.92 1.39 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 57 I 7.67 3.77 1.87 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 1.52 0.63 0.91 0.00 0.00 58 N 8.44 4.62 0.00 2.79 2.87 0.00 0.00 7.03 7.72 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 59 D 7.98 4.58 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.86 4.19 0.00 3.11 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 61 P 0.00 4.35 0.00 2.17 2.10 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 62 C 7.97 4.02 0.00 2.98 2.96 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 63 N 7.87 4.39 0.00 3.07 2.88 0.00 0.00 6.82 7.56 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 64 K 7.56 3.88 0.00 1.62 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 65 E 7.79 3.94 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 2.31 2.35 0.00 66 I 7.58 3.79 1.98 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 1.64 0.97 0.91 0.00 0.00 67 L 8.35 4.04 0.00 1.66 1.88 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.01 3.93 0.00 2.20 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 2.33 2.59 0.00 69 A 7.55 4.15 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 L 7.56 4.62 0.00 1.79 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.95 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 72 T 8.10 4.69 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 1.29 0.00 0.00 73 Q 8.29 4.75 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 74 P 0.00 4.43 0.00 2.17 2.02 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00