NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3057 8.2493 123.5817 50.9642 19.3836 176.5948 7 P 4.2890 0.0000 0.0000 61.7938 31.8508 174.7762 8 D 4.7996 9.3050 123.4079 51.9442 43.1099 177.4197 9 F 4.0552 8.9598 119.3447 62.4021 39.0363 177.2464 10 H 4.4354 8.1645 115.0900 58.9879 28.3455 177.4422 11 D 4.3157 8.1690 119.8083 57.2186 40.7350 178.7556 12 K 3.7440 7.5971 117.7448 58.9068 32.2778 178.2290 13 Y 4.7286 7.8329 114.6553 57.2172 39.2496 177.8762 14 G 4.0212 8.1366 108.3002 48.3206 0.0000 175.3143 15 N 4.3447 8.2176 118.6103 55.6830 38.5361 177.3084 16 A 3.9840 7.9183 121.5434 55.1883 18.6554 179.5404 17 V 3.5777 8.0120 116.9732 66.0579 31.5108 177.9743 18 L 3.9302 8.1851 119.6860 58.0931 42.0942 178.6944 19 A 4.0118 8.0557 120.8122 55.4147 18.3975 179.8747 20 S 4.3151 8.6500 113.2097 61.1675 63.1461 176.9212 21 G 3.6347 8.2410 109.3744 47.7874 0.0000 175.6318 22 A 4.1115 8.2793 123.9515 55.0294 18.3564 179.9278 23 T 3.8840 8.0013 114.1861 66.6046 68.4741 176.7935 24 F 4.2407 8.5414 122.6628 61.4712 39.5090 176.3748 25 C 3.9675 8.2931 118.2629 62.8032 31.3651 175.6999 26 V 3.6489 7.9064 119.2679 65.8993 31.0924 177.8730 27 A 4.0211 8.0352 120.6225 55.3095 18.3083 180.1035 28 V 3.5399 7.7448 117.7359 64.5861 31.2853 178.6494 29 W 3.8354 8.2911 119.7226 59.4960 29.0150 178.7177 30 V 3.6872 8.1479 118.3251 65.9861 30.8829 177.5096 31 Y 4.0131 8.2344 119.3621 60.9578 38.4894 177.5802 32 M 3.8826 8.0971 117.6028 58.6616 32.3574 177.7596 33 A 4.6407 8.3120 120.3689 54.4051 18.7072 178.5690 34 T 4.6047 7.8613 104.7571 61.4369 70.2528 174.6483 35 Q 4.4055 8.0490 119.5216 55.5630 29.6389 175.7019 36 I 4.1891 7.6720 109.8499 60.3683 38.0260 176.0108 37 G 3.8336 8.2528 107.7305 45.8616 0.0000 173.6361 38 I 3.5239 7.3719 120.2508 60.6024 37.4583 175.1220 39 E 4.3340 8.2789 126.5088 54.5664 29.5276 175.6067 40 W 4.1852 8.7639 126.9382 57.2342 30.2003 175.9440 41 N 4.1669 8.4183 116.3140 53.9420 36.6310 170.7607 42 P 4.6100 0.0000 0.0000 61.6202 33.1302 176.6829 43 S 4.2034 8.3582 113.2763 57.9864 62.7258 172.5326 44 P 4.3328 0.0000 0.0000 64.8051 31.2972 176.6693 45 V 3.6366 7.4009 118.9409 64.4375 31.4370 177.0822 46 G 4.1014 9.0235 114.7566 45.7151 0.0000 173.6905 47 R 4.4555 7.5216 113.1155 55.7955 31.5155 176.0843 48 V 4.2189 7.9699 118.1696 61.1335 32.9520 174.9368 49 T 4.3736 8.2808 123.7423 61.3235 68.7681 173.0254 50 P 4.3188 0.0000 0.0000 62.7278 31.8807 175.8267 51 K 4.6686 8.3643 123.0235 53.8896 34.9406 175.3699 52 E 4.0085 8.8806 124.2422 56.9187 29.8073 176.9044 53 W 4.6768 8.0097 119.0162 57.0733 30.5186 175.4799 54 R 3.4684 6.3068 122.4402 56.0648 29.3184 175.6999 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 6 A 8.25 4.31 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.29 0.00 2.19 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 8 D 9.30 4.80 0.00 2.91 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 9 F 8.96 4.06 0.00 3.23 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 10 H 8.16 4.44 0.00 3.41 3.44 0.00 5.67 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 8.17 4.32 0.00 2.71 2.67 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 12 K 7.60 3.74 0.00 0.83 0.74 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.34 7.81 13 Y 7.83 4.73 0.00 2.17 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.14 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.22 4.34 0.00 2.74 2.89 0.00 0.00 6.91 7.24 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 16 A 7.92 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.58 2.33 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 1.09 0.00 0.00 1.11 0.00 0.00 18 L 8.19 3.93 0.00 1.92 1.83 0.95 0.86 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 19 A 8.06 4.01 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 20 S 8.65 4.32 0.00 4.05 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 0.00 21 G 8.24 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 0.00 0.00 0.00 22 A 8.28 4.11 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 23 T 8.00 3.88 4.39 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 1.28 0.00 0.00 24 F 8.54 4.24 0.00 3.17 3.37 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 25 C 8.29 3.97 0.00 3.30 3.16 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 0.00 26 V 7.91 3.65 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 0.99 0.00 0.00 0.97 0.00 0.00 27 A 8.04 4.02 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 28 V 7.74 3.54 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.70 0.00 0.00 29 W 8.29 3.84 0.00 3.55 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.69 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 1.05 0.00 0.00 1.02 0.00 0.00 31 Y 8.23 4.01 0.00 3.03 3.06 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 32 M 8.10 3.88 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 A 8.31 4.64 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.60 4.26 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 1.25 0.00 0.00 35 Q 8.05 4.41 0.00 0.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 36 I 7.67 4.19 1.77 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 1.31 0.53 0.63 0.00 0.00 37 G 8.25 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 0.00 0.00 0.00 38 I 7.37 3.52 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.37 -0.29 0.00 0.00 39 E 8.28 4.33 0.00 1.83 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 2.21 2.42 0.00 40 W 8.76 4.19 0.00 3.34 3.26 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 41 N 8.42 4.17 0.00 2.82 2.85 0.00 0.00 7.21 7.31 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 42 P 0.00 4.61 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.36 4.20 0.00 3.86 3.82 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 44 P 0.00 4.33 0.00 2.22 2.08 0.00 3.67 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 2.11 2.07 0.00 45 V 7.40 3.64 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 9.02 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 0.00 0.00 0.00 47 R 7.52 4.46 0.00 1.93 2.01 0.00 3.06 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 48 V 7.97 4.22 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.28 4.37 4.26 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 1.23 0.00 0.00 50 P 0.00 4.32 0.00 2.08 2.06 0.00 3.64 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 2.06 2.11 0.00 51 K 8.36 4.67 0.00 1.70 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.88 4.01 0.00 1.97 1.80 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 2.31 2.22 0.00 53 W 8.01 4.68 0.00 3.54 3.18 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 0.00 0.00 0.00 54 R 6.31 3.47 0.00 0.67 1.15 0.00 3.17 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.00