NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4060 8.2893 120.3439 55.3378 33.6263 175.7224 54 T 4.0075 8.0787 115.4888 60.2980 71.0579 173.9401 55 L 3.9361 8.6136 123.9661 58.4131 42.5135 179.9437 56 D 4.3078 8.0657 117.3394 57.5414 41.1886 177.7813 57 E 3.9674 8.2571 119.6793 59.2868 29.4171 178.8716 58 S 4.1350 8.2603 115.3286 61.7943 62.9101 176.5281 59 C 4.1995 8.2994 119.4139 62.6756 27.9936 176.1988 60 K 3.9420 8.4030 120.4618 59.6189 31.4496 179.3152 61 I 3.7498 7.7422 118.7107 64.1241 37.1708 177.6253 62 L 4.4014 7.7724 116.1463 53.3487 42.6014 175.8856 63 N 4.1167 7.7526 116.3852 54.7384 37.6601 174.1910 64 I 4.3025 8.2329 118.0254 59.7158 39.1318 176.1264 65 E 4.4619 9.1550 126.2770 54.2690 29.6066 176.0361 66 E 3.9126 8.8928 126.2344 59.2838 29.6411 179.0693 67 S 4.3383 8.0244 109.9779 59.8358 63.2534 174.3984 68 K 4.2762 8.2528 120.6124 55.9899 31.9253 177.0951 69 G 3.9448 8.2092 106.5338 46.2315 0.0000 175.0655 70 D 4.4432 7.9963 120.1777 56.4008 41.3899 177.1803 71 L 4.3569 7.5972 122.4173 53.6533 40.5488 175.1507 72 N 5.1259 7.4894 119.5362 50.1556 42.4046 175.0380 73 M 4.0363 8.4087 120.0104 58.6861 32.3504 177.8608 74 D 4.2958 8.0728 117.9119 57.0418 41.4317 177.9526 75 K 3.9362 8.4057 120.1728 59.6242 32.1774 178.7758 76 I 3.7423 7.8653 120.0483 64.5317 36.9977 178.1385 77 N 4.3991 8.3181 117.3222 56.5636 38.3328 177.2930 78 N 4.4862 8.5079 117.9590 56.1549 38.5988 177.8581 79 R 4.0249 8.3697 119.7901 59.1665 30.1421 178.7811 80 F 4.0775 8.5445 120.5173 61.4647 39.4346 176.6431 81 N 4.2174 8.5291 116.0888 56.7691 38.3911 176.5468 82 Y 4.2501 8.3096 120.7640 60.8905 38.7786 178.0368 83 L 3.7006 8.2624 119.9060 57.3187 41.6014 179.1449 84 F 3.7425 7.9698 121.1571 60.9693 39.2129 176.8799 85 E 3.9772 7.7136 117.6079 59.1853 29.3741 178.6083 86 V 3.4852 7.3733 118.2590 65.6003 31.4091 176.6172 87 N 4.7808 7.3038 114.0721 52.8291 38.6566 174.2023 88 D 4.5186 7.7372 119.4281 54.0949 41.6460 177.7322 89 K 4.2577 8.4696 123.9632 58.9064 32.8179 177.5786 90 E 4.3894 8.5380 117.8493 56.8234 31.5661 176.8430 91 K 4.2232 8.5484 116.1141 56.3782 31.9921 177.5765 92 G 4.2766 5.3800 112.1737 45.2524 0.0000 173.9717 93 G 3.7844 7.3938 114.6233 44.3097 0.0000 174.6953 94 S 4.5685 8.6270 117.5059 55.8988 65.9061 176.2695 95 F 4.1360 8.7495 123.2740 61.3233 39.0053 176.7340 96 Y 3.7206 8.0797 118.9411 60.6131 38.7388 177.7749 97 L 3.9525 8.0996 119.7597 58.0147 41.6782 179.6898 98 Q 3.5748 7.8802 117.7231 58.8571 28.4318 178.9220 99 S 3.9765 7.8246 116.4983 61.4296 62.6900 176.9312 100 K 3.8442 7.6843 120.9960 59.4475 31.8785 179.3643 101 V 3.6563 7.7934 118.3844 66.3049 31.3794 177.3869 102 Y 4.3868 8.6040 119.2704 61.0877 38.6450 178.3404 103 R 3.9722 8.6744 119.1245 58.8540 30.0597 178.7799 104 A 4.0863 8.6033 122.1684 54.6186 18.3901 179.6227 105 A 3.8894 7.9587 119.0852 54.9686 18.4325 179.2175 106 E 3.5539 8.1269 118.3229 59.4081 29.6540 178.9431 107 R 3.9176 8.0589 118.5554 59.7134 30.1064 178.5033 108 L 4.0630 8.1136 118.6768 57.6710 41.5691 179.6594 109 K 3.9323 8.5109 119.0052 59.0286 31.9398 179.1290 110 W 4.0454 8.3096 128.6358 60.3911 30.6336 177.6257 111 E 3.8372 8.2944 119.1497 59.3924 29.1551 178.7488 112 L 3.9091 8.2382 119.1308 57.7618 41.7276 179.4481 113 A 3.9020 7.7614 120.6796 54.9338 17.9835 179.6785 114 Q 3.6954 7.2199 116.0545 58.8249 28.8487 178.5485 115 R 4.0256 7.7924 118.4478 58.9760 30.1248 178.5591 116 E 4.0393 7.9336 118.0315 58.8331 29.5180 177.3930 117 K 4.1753 7.4957 122.7305 56.5994 32.4333 176.1549 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 53 M 8.29 4.41 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 54 T 8.08 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 55 L 8.61 3.94 0.00 1.72 1.73 0.94 1.09 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 56 D 8.07 4.31 0.00 2.84 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 57 E 8.26 3.97 0.00 2.10 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 2.32 2.36 0.00 58 S 8.26 4.13 0.00 4.08 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 59 C 8.30 4.20 0.00 3.15 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.94 0.00 1.95 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.59 7.81 61 I 7.74 3.75 2.11 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 1.54 0.58 0.94 0.00 0.00 62 L 7.77 4.40 0.00 1.68 1.76 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.75 4.12 0.00 2.89 2.86 0.00 0.00 7.00 7.57 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 64 I 8.23 4.30 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.93 0.00 0.00 65 E 9.15 4.46 0.00 2.17 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 2.24 2.22 0.00 66 E 8.89 3.91 0.00 2.00 1.97 0.00 0.00 0.00 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 2.33 0.00 67 S 8.02 4.34 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.28 0.00 1.90 1.87 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.37 7.81 69 G 8.21 3.94 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 0.00 0.00 0.00 70 D 8.00 4.44 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 71 L 7.60 4.36 0.00 1.59 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.49 5.13 0.00 2.96 2.84 0.00 0.00 5.75 7.66 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 73 M 8.41 4.04 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.62 0.00 74 D 8.07 4.30 0.00 2.78 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 75 K 8.41 3.94 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 76 I 7.87 3.74 1.88 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 1.54 0.57 0.93 0.00 0.00 77 N 8.32 4.40 0.00 2.97 2.92 0.00 0.00 7.06 6.55 0.00 0.00 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 N 8.51 4.49 0.00 2.77 2.90 0.00 0.00 7.07 7.32 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 79 R 8.37 4.02 0.00 2.07 2.08 0.00 3.37 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 80 F 8.54 4.08 0.00 3.24 3.38 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 81 N 8.53 4.22 0.00 3.00 2.96 0.00 0.00 6.75 7.09 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 82 Y 8.31 4.25 0.00 3.11 3.03 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 83 L 8.26 3.70 0.00 1.61 1.61 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.97 3.74 0.00 2.28 2.45 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 0.00 85 E 7.71 3.98 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 86 V 7.37 3.49 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.23 0.00 0.00 87 N 7.30 4.78 0.00 2.70 2.58 0.00 0.00 6.59 7.74 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 88 D 7.74 4.52 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.47 4.26 0.00 1.92 1.97 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 90 E 8.54 4.39 0.00 2.02 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 2.46 2.42 0.00 91 K 8.55 4.22 0.00 1.67 1.33 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.47 7.81 92 G 5.38 4.28 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 0.00 93 G 7.39 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 94 S 8.63 4.57 0.00 4.06 3.94 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 95 F 8.75 4.14 0.00 3.12 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 96 Y 8.08 3.72 0.00 3.17 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 97 L 8.10 3.95 0.00 1.80 1.64 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.88 3.57 0.00 1.76 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 1.66 2.35 0.00 99 S 7.82 3.98 0.00 3.50 3.62 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 0.00 100 K 7.68 3.84 0.00 1.83 1.81 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.38 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.48 7.81 101 V 7.79 3.66 2.31 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 1.12 0.00 0.00 0.96 0.00 0.00 102 Y 8.60 4.39 0.00 3.55 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 0.00 103 R 8.67 3.97 0.00 1.86 1.97 0.00 3.40 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 104 A 8.60 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.96 3.89 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 0.00 106 E 8.13 3.55 0.00 1.54 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 2.21 2.15 0.00 107 R 8.06 3.92 0.00 1.99 2.14 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 108 L 8.11 4.06 0.00 1.73 1.71 0.94 0.87 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 0.00 109 K 8.51 3.93 0.00 1.76 1.81 0.00 1.54 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 110 W 8.31 4.05 0.00 3.44 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.29 3.84 0.00 2.40 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 0.00 2.34 2.40 0.00 112 L 8.24 3.91 0.00 1.84 1.63 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.76 3.90 1.11 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 0.00 0.00 114 Q 7.22 3.70 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 1.53 2.07 0.00 115 R 7.79 4.03 0.00 1.71 1.94 0.00 3.12 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 116 E 7.93 4.04 0.00 1.97 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 2.25 0.00 117 K 7.50 4.18 0.00 1.66 1.70 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81