NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.3289 8.1733 120.1336 56.3968 34.6926 177.7279 76 E 3.7984 8.2189 118.6008 58.9984 29.2770 177.4509 77 N 4.3181 8.2945 116.2984 56.3633 39.0533 176.5545 78 E 3.9720 8.1306 120.1228 59.2945 29.8837 178.7825 79 I 3.7063 7.5547 120.0084 64.3371 37.0902 178.4498 80 L 3.9963 8.0507 119.8730 57.8003 41.4017 179.5560 81 R 3.8746 8.6072 118.9984 59.4882 30.1177 178.8224 82 R 3.9122 8.2454 118.1012 59.1011 29.7871 178.6618 83 E 3.9619 7.8274 118.2515 58.9763 29.6978 178.2720 84 L 4.0911 7.9878 119.9122 58.2117 42.3870 178.2586 85 D 4.5761 8.2973 118.9663 57.3486 40.5040 179.8206 86 R 4.3072 7.4932 115.2009 56.6214 30.1228 177.9930 *88 R 4.2650 7.9613 118.0557 55.6239 32.0999 176.2867 89 V 3.7478 7.1935 118.5235 61.5177 31.9851 174.0226 90 P 4.3766 0.0000 0.0000 62.1180 31.7034 174.2691 91 P 4.5795 0.0000 0.0000 62.4989 32.4568 174.9226 92 L 4.7800 8.0016 118.2149 53.0522 43.7629 176.7391 93 I 4.0748 8.1304 124.0183 61.1823 38.8312 174.9747 94 V 4.7310 8.3944 125.3884 61.5655 33.9662 174.7410 95 G 4.7418 9.2582 113.6137 45.1996 0.0000 170.7831 96 T 5.2151 8.5978 115.2650 61.2819 72.2621 174.3526 97 V 3.9995 8.9774 127.2545 63.4724 32.1289 176.2424 98 V 3.9842 8.7564 128.1545 64.4904 32.8205 175.4090 99 D 4.5519 7.5577 115.9915 53.4828 44.4027 174.6326 100 K 4.5836 8.7370 124.2843 55.6575 33.1876 176.8629 101 V 4.2291 8.4080 122.1883 62.8071 33.5216 174.8290 102 G 4.2610 7.5998 106.0112 43.2145 0.0000 171.7295 103 E 4.0878 8.7861 118.9934 58.5462 29.8643 177.1503 104 R 4.7784 7.8658 116.5175 55.4629 32.3517 175.0896 105 K 5.1424 8.0331 116.9229 55.0583 36.6821 175.7563 106 V 4.8596 8.6793 115.2588 59.9956 36.9066 173.8925 107 V 4.6393 9.0344 123.6909 61.9686 33.0681 175.2170 108 V 4.8728 9.0033 120.7711 59.4363 35.8884 174.6792 109 K 4.6128 9.0993 126.2409 54.8452 33.3158 175.6669 110 S 4.7903 8.8615 123.9717 58.1794 63.1707 175.3137 111 S 4.3343 8.6061 120.2378 60.5368 63.0315 175.3769 112 T 4.0107 7.6535 110.8084 62.3317 68.6108 174.0499 113 G 3.9166 7.5578 114.0762 45.8736 0.0000 173.6407 114 P 4.4405 0.0000 0.0000 61.2906 32.5372 175.2948 115 S 5.1615 7.6886 114.3740 57.0330 65.5624 173.8295 116 F 4.9255 8.9276 120.9093 55.8543 43.7774 173.2630 117 L 4.9935 8.6562 123.4462 54.0732 43.0080 175.8369 118 V 4.6621 8.8139 118.9511 59.4779 36.5356 174.7935 119 N 5.0686 8.5644 118.6786 53.0650 40.3278 174.2655 120 V 4.5710 7.8069 121.2403 60.7644 33.3030 175.8707 121 S 4.0551 8.5167 122.9100 58.4633 63.4560 175.3649 122 H 4.1033 8.5912 118.4668 58.4024 28.6062 176.3077 123 F 4.7094 6.7283 112.6101 56.4532 38.0470 175.2951 124 V 4.2837 7.3310 121.7217 61.1241 33.1120 174.3972 125 N 4.6406 8.6269 126.0719 51.8115 39.2412 173.6072 126 P 4.2346 0.0000 0.0000 65.8162 31.4009 178.2141 127 D 4.3658 8.6135 118.6253 57.1260 40.7218 177.0460 128 D 4.5611 8.1220 117.2301 55.1854 41.1633 176.1242 129 L 4.6015 7.5613 119.6476 53.3511 43.3389 175.7165 130 A 4.5699 8.1251 122.8822 50.0025 21.9205 173.9269 131 P 4.4595 0.0000 0.0000 64.9194 31.2588 176.7673 132 G 3.9748 9.2530 111.7281 44.7181 0.0000 173.5926 133 K 4.1736 8.1520 122.2729 56.4996 33.5559 175.8559 134 R 4.9694 8.5418 125.5714 55.4371 32.0233 175.7869 135 V 4.9448 9.0360 115.9171 59.8934 36.6667 173.9678 136 C 5.1823 8.8756 120.0553 58.3766 30.2195 173.0923 137 L 5.3006 8.9808 122.9015 52.7344 45.2159 175.3071 138 N 4.5719 8.7596 121.6336 52.9937 40.0214 176.0434 139 Q 3.9850 8.8292 121.6378 57.1963 27.8993 176.1535 140 Q 4.4118 8.3099 115.4453 56.5704 31.3547 176.1144 141 T 4.1373 7.5745 106.6085 61.2473 69.8812 175.7385 142 L 4.1769 7.8115 120.5983 55.9584 40.0072 174.5938 143 T 4.1195 7.0766 115.5193 63.7634 69.7617 173.7702 144 V 4.2593 8.6329 126.1589 63.2142 32.1261 176.4979 145 V 4.3703 8.6449 120.4418 61.2002 33.3585 174.7319 146 D 4.6672 7.6696 118.6227 53.4905 44.6754 173.7621 147 V 4.8200 8.3327 121.4894 61.0734 33.9076 174.9721 148 L 4.6476 8.8134 128.0206 52.8979 43.3305 175.1830 149 P 4.4076 0.0000 0.0000 63.1864 31.5498 176.1879 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 75 K 8.17 4.33 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 76 E 8.22 3.80 0.00 2.13 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 2.40 2.52 0.00 77 N 8.29 4.32 0.00 2.73 2.86 0.00 0.00 6.76 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 78 E 8.13 3.97 0.00 2.07 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 0.00 2.37 2.46 0.00 79 I 7.55 3.71 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 1.52 1.12 0.91 0.00 0.00 80 L 8.05 4.00 0.00 1.85 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.61 3.87 0.00 1.92 2.03 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 82 R 8.25 3.91 0.00 2.03 1.96 0.00 3.17 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 83 E 7.83 3.96 0.00 1.98 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 2.32 2.35 0.00 84 L 7.99 4.09 0.00 1.83 1.84 0.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.30 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 86 R 7.49 4.31 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 *88 R 7.96 4.26 0.00 1.82 2.03 0.00 3.21 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 89 V 7.19 3.75 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 0.77 0.00 0.00 0.96 0.00 0.00 90 P 0.00 4.38 0.00 2.21 2.04 0.00 3.81 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 1.99 1.95 0.00 91 P 0.00 4.58 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 92 L 8.00 4.78 0.00 1.54 1.62 0.95 0.91 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 93 I 8.13 4.07 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.91 0.00 0.00 94 V 8.39 4.73 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 0.99 0.00 0.00 0.94 0.00 0.00 95 G 9.26 4.74 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 0.00 0.00 0.00 96 T 8.60 5.22 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 1.26 0.00 0.00 97 V 8.98 4.00 2.25 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 0.73 0.00 0.00 0.98 0.00 0.00 98 V 8.76 3.98 2.22 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 0.78 0.00 0.00 0.98 0.00 0.00 99 D 7.56 4.55 0.00 2.78 2.42 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 0.00 100 K 8.74 4.58 0.00 1.78 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 101 V 8.41 4.23 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 0.78 0.00 0.00 0.98 0.00 0.00 102 G 7.60 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 0.00 0.00 0.00 0.00 103 E 8.79 4.09 0.00 1.94 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 2.29 2.33 0.00 104 R 7.87 4.78 0.00 1.69 1.77 0.00 3.13 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 105 K 8.03 5.14 0.00 1.63 1.62 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 106 V 8.68 4.86 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 0.68 0.00 0.00 0.93 0.00 0.00 107 V 9.03 4.64 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 0.85 0.00 0.00 0.94 0.00 0.00 108 V 9.00 4.87 2.13 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 0.69 0.00 0.00 1.04 0.00 0.00 109 K 9.10 4.61 0.00 1.79 1.71 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 110 S 8.86 4.79 0.00 4.24 4.08 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 0.00 0.00 0.00 111 S 8.61 4.33 0.00 4.06 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 0.00 112 T 7.65 4.01 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 113 G 7.56 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 0.00 114 P 0.00 4.44 0.00 1.48 1.73 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 115 S 7.69 5.16 0.00 3.66 3.65 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 0.00 116 F 8.93 4.93 0.00 2.93 2.87 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 0.00 0.00 0.00 117 L 8.66 4.99 0.00 1.65 1.62 0.99 0.88 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 0.00 118 V 8.81 4.66 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 0.77 0.00 0.00 0.97 0.00 0.00 119 N 8.56 5.07 0.00 2.66 2.64 0.00 0.00 6.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.81 4.57 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 0.73 0.00 0.00 0.89 0.00 0.00 121 S 8.52 4.06 0.00 3.14 3.56 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 0.00 0.00 0.00 0.00 122 H 8.59 4.10 0.00 3.16 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 6.73 4.71 0.00 2.94 3.17 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 0.00 0.00 0.00 0.00 124 V 7.33 4.28 2.07 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 0.76 0.00 0.00 0.89 0.00 0.00 125 N 8.63 4.64 0.00 2.78 2.89 0.00 0.00 6.95 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.23 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 127 D 8.61 4.37 0.00 2.78 2.78 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 0.00 128 D 8.12 4.56 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 0.00 129 L 7.56 4.60 0.00 1.73 1.58 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.13 4.57 1.22 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 0.00 0.00 0.00 131 P 0.00 4.46 0.00 2.19 2.32 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 2.00 1.99 0.00 132 G 9.25 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.15 4.17 0.00 2.08 1.68 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 134 R 8.54 4.97 0.00 1.81 1.83 0.00 3.13 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 135 V 9.04 4.94 2.16 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 0.72 0.00 0.00 0.94 0.00 0.00 136 C 8.88 5.18 0.00 2.88 2.85 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 0.00 0.00 0.00 0.00 137 L 8.98 5.30 0.00 1.46 1.51 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.76 4.57 0.00 2.80 2.65 0.00 0.00 7.17 6.09 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 0.00 139 Q 8.83 3.98 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 140 Q 8.31 4.41 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 141 T 7.57 4.14 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 142 L 7.81 4.18 0.00 1.64 1.59 -0.29 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.08 4.12 4.18 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 1.13 0.00 0.00 144 V 8.63 4.26 2.02 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 0.95 0.00 0.00 0.91 0.00 0.00 145 V 8.64 4.37 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 0.78 0.00 0.00 1.06 0.00 0.00 146 D 7.67 4.67 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.33 4.82 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 0.93 0.00 0.00 0.95 0.00 0.00 148 L 8.81 4.65 0.00 1.55 1.58 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.41 0.00 2.18 2.03 0.00 3.80 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.