NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3335 0.0000 0.0000 63.2581 32.7698 175.6878 17 S 3.6014 8.3668 109.2335 59.8792 61.8384 170.4352 18 R 4.6248 7.7645 118.4033 56.9549 31.2770 177.6817 19 K 3.9214 8.1415 115.3746 56.5801 33.0735 176.8181 20 A 4.3087 7.5185 125.0336 50.1815 20.7580 175.9408 21 K 4.0525 8.2929 121.6658 57.8069 32.5460 178.6178 22 V 3.6033 8.5484 123.6296 65.6705 31.6551 177.3622 23 K 4.2755 7.9223 120.3355 59.6428 32.3610 177.5008 24 A 4.1864 7.7771 120.7880 55.8921 18.7236 179.2234 25 T 4.2719 7.7676 111.0741 61.1541 66.2209 173.9576 26 L 4.8028 6.9827 127.7083 54.7599 45.1870 174.5482 27 G 4.0374 8.2504 115.9173 45.1329 0.0000 172.9618 28 E 4.4333 8.7030 118.7339 56.2844 30.7030 175.5943 29 F 4.5902 7.6228 112.2622 56.5353 39.9577 173.6853 30 D 4.5527 8.2891 122.1068 52.6051 39.9260 176.6326 31 L 4.1059 8.3065 127.2331 57.4475 41.7680 178.5179 32 R 4.2475 8.1026 115.9975 55.6490 30.2422 175.7878 33 D 4.4407 8.6737 118.6369 54.2209 40.0249 175.0724 34 Y 4.6988 7.8961 124.2057 57.1679 37.9776 176.5183 35 R 4.5583 8.1834 117.1891 55.5407 33.0935 176.1163 36 N 4.6345 7.7576 118.2324 52.2085 35.2234 174.5510 37 V 3.5000 7.7041 125.5348 66.5687 31.8442 176.5332 38 E 3.8527 7.9928 116.3803 59.4964 29.5943 179.3887 39 V 3.5165 7.4340 119.2386 64.2101 31.9339 177.8152 40 L 3.9437 8.0410 120.8985 57.6579 41.5804 179.7204 41 K 3.7518 8.3237 119.4062 59.7807 31.9235 178.1739 42 R 3.7174 7.5333 117.2540 59.1783 30.1172 177.4348 43 F 4.8214 8.6504 115.3969 57.8860 39.2535 175.2616 44 L 5.0964 7.6488 121.3402 53.3312 43.7877 176.8605 45 S 4.7653 8.2009 115.6481 57.7614 64.9688 175.4651 46 E 4.1637 7.9789 121.3367 58.0234 28.9889 176.2183 47 T 4.7316 7.8849 115.9894 61.8592 72.7776 174.9920 48 G 3.8823 8.6157 107.4904 46.4144 0.0000 173.6431 49 K 4.3242 8.3015 120.7645 55.6248 33.4741 176.4926 50 I 4.4367 8.3178 125.6043 60.8803 37.5201 176.0347 51 L 4.1713 8.7629 128.2470 54.3910 42.4476 175.8354 52 P 4.5783 0.0000 0.0000 62.0044 32.5216 177.6216 53 R 4.4623 8.3205 118.5622 59.0358 29.5810 179.2939 54 R 3.5028 8.0910 116.7346 58.9627 30.1504 178.1054 55 R 4.3300 7.7430 117.4135 58.4797 30.6980 178.3303 56 T 4.0240 8.3121 109.8870 63.2314 68.3311 175.8807 57 G 4.0930 8.7553 107.9279 45.4501 0.0000 175.5115 58 L 4.5812 7.6557 120.4638 53.8694 42.2724 176.0636 59 S 4.6034 8.6663 114.4702 58.4480 65.8863 176.0964 60 G 3.7823 7.9087 110.4499 48.1340 0.0000 176.3353 61 K 3.8612 7.9867 121.4074 58.9754 32.5870 178.3444 62 E 3.9605 7.8158 118.8047 59.5280 29.3498 178.8376 63 Q 3.8115 8.4498 119.5020 59.7258 29.1935 179.3390 64 R 3.8683 7.9549 119.0090 59.1128 29.9474 178.5994 65 I 3.8291 8.4139 120.2175 64.2814 37.2893 177.7010 66 L 3.8091 7.7607 120.2200 58.4248 41.8974 178.2958 67 A 3.9972 8.1651 120.3572 55.4325 18.3986 179.1696 68 K 3.7625 7.6812 116.1386 60.1409 32.3195 178.8055 69 T 3.9216 8.3006 115.9372 66.9651 68.3804 176.2296 70 I 3.8197 8.5124 121.7993 64.7482 37.1382 178.5440 71 K 3.8716 8.3176 119.0461 59.3770 31.7958 179.4700 72 R 3.8023 7.8381 117.5636 59.2761 29.9597 178.6531 73 A 4.0376 7.9452 120.3561 55.5584 18.2281 179.4124 74 R 4.2496 7.7915 117.5902 59.0645 29.8578 179.1106 75 I 3.9004 7.6262 118.2847 64.2418 37.3980 177.4789 76 L 4.4610 8.2399 119.2238 56.6025 42.5227 176.9911 77 G 4.1536 7.4319 103.2957 46.5804 0.0000 175.0935 78 L 4.5348 8.0785 121.1829 54.4365 43.2700 177.1597 79 L 4.8022 7.3520 117.9141 51.7139 45.3935 174.0847 80 P 4.6715 0.0000 0.0000 62.8228 32.0353 176.5464 81 F 4.2951 8.8612 119.0766 60.2626 39.4771 175.7402 82 T 4.7022 7.4383 111.4509 61.2252 69.8529 171.8477 83 E 4.8277 8.2850 124.0043 54.2969 33.6517 175.6250 84 K 4.2206 8.4158 120.1731 55.9957 32.9822 176.5222 85 L 4.3885 8.2889 124.5050 54.1687 43.4194 176.6087 86 V 4.2868 8.0755 127.4169 62.7321 33.7415 175.7412 87 R 3.3631 9.1829 117.2153 58.2735 28.3816 175.9361 88 K 4.1821 8.7653 124.0149 57.9447 32.9658 175.7869 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 16 P 0.00 4.33 0.00 2.20 2.22 0.00 3.89 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 1.89 1.97 0.00 17 S 8.37 3.60 0.00 4.20 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 18 R 7.76 4.62 0.00 1.87 1.88 0.00 3.29 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 19 K 8.14 3.92 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 20 A 7.52 4.31 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 21 K 8.29 4.05 0.00 1.92 1.85 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.55 7.81 22 V 8.55 3.60 2.57 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 0.57 0.00 0.00 1.12 0.00 0.00 23 K 7.92 4.28 0.00 2.05 1.92 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.55 7.81 24 A 7.78 4.19 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 25 T 7.77 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 L 6.98 4.80 0.00 1.53 1.78 0.62 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.25 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 0.00 0.00 0.00 28 E 8.70 4.43 0.00 2.10 2.01 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 2.33 2.35 0.00 29 F 7.62 4.59 0.00 3.16 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 30 D 8.29 4.55 0.00 2.77 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 31 L 8.31 4.11 0.00 1.63 1.77 0.82 1.20 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 32 R 8.10 4.25 0.00 1.85 2.14 0.00 3.12 0.00 0.00 3.03 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 33 D 8.67 4.44 0.00 2.86 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 34 Y 7.90 4.70 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.56 0.00 1.66 1.87 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.01 0.00 36 N 7.76 4.63 0.00 3.09 2.73 0.00 0.00 6.65 7.59 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 37 V 7.70 3.50 2.05 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 0.96 0.00 0.00 0.97 0.00 0.00 38 E 7.99 3.85 0.00 2.08 2.05 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 2.23 2.32 0.00 39 V 7.43 3.52 2.04 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 0.92 0.00 0.00 0.39 0.00 0.00 40 L 8.04 3.94 0.00 1.79 1.83 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.32 3.75 0.00 1.84 1.71 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 42 R 7.53 3.72 0.00 1.36 1.34 0.00 3.14 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 43 F 8.65 4.82 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 5.10 0.00 1.78 1.77 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.20 4.77 0.00 4.02 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 46 E 7.98 4.16 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 2.35 2.33 0.00 47 T 7.88 4.73 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 1.30 0.00 0.00 48 G 8.62 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 49 K 8.30 4.32 0.00 1.73 1.76 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 50 I 8.32 4.44 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 1.37 0.49 0.92 0.00 0.00 51 L 8.76 4.17 0.00 1.60 1.66 1.06 1.25 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 52 P 0.00 4.58 0.00 2.18 2.01 0.00 3.61 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 2.12 2.11 0.00 53 R 8.32 4.46 0.00 1.84 1.96 0.00 3.55 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 54 R 8.09 3.50 0.00 1.77 2.02 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 55 R 7.74 4.33 0.00 1.99 1.97 0.00 3.33 0.00 0.00 3.41 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 56 T 8.31 4.02 3.93 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 1.24 0.00 0.00 57 G 8.76 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.66 4.58 0.00 1.66 1.49 0.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.67 4.60 0.00 3.92 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 60 G 7.91 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 61 K 7.99 3.86 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 62 E 7.82 3.96 0.00 2.11 1.88 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 2.26 2.28 0.00 63 Q 8.45 3.81 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 64 R 7.95 3.87 0.00 2.15 2.02 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 65 I 8.41 3.83 1.97 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 1.40 0.65 0.97 0.00 0.00 66 L 7.76 3.81 0.00 1.58 1.73 1.11 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.17 4.00 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 68 K 7.68 3.76 0.00 2.15 1.94 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.55 7.81 69 T 8.30 3.92 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 I 8.51 3.82 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.90 0.90 0.00 0.00 71 K 8.32 3.87 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 72 R 7.84 3.80 0.00 2.07 1.76 0.00 3.15 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 73 A 7.95 4.04 1.37 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 0.00 0.00 74 R 7.79 4.25 0.00 1.61 0.66 0.00 2.21 0.00 0.00 2.71 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 75 I 7.63 3.90 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 0.95 0.00 0.00 76 L 8.24 4.46 0.00 1.64 1.73 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.43 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 0.00 0.00 0.00 0.00 78 L 8.08 4.53 0.00 1.76 1.73 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.35 4.80 0.00 1.61 1.40 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.67 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 81 F 8.86 4.30 0.00 3.03 3.15 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 0.00 82 T 7.44 4.70 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 E 8.28 4.83 0.00 2.07 1.79 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 2.22 2.32 0.00 84 K 8.42 4.22 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.29 4.39 0.00 1.59 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.08 4.29 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 0.88 0.00 0.00 0.93 0.00 0.00 87 R 9.18 3.36 0.00 1.99 1.76 0.00 3.51 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 K 8.77 4.18 0.00 1.90 1.82 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.42 7.81