NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 76 M 4.4319 8.3044 120.3275 53.1378 33.0510 174.7405 77 K 4.1694 8.1745 120.8666 55.7398 35.1462 172.4877 78 D 4.2074 9.0143 119.5428 54.0181 38.2884 171.7784 79 T 4.2492 7.2529 118.4788 62.7415 70.1064 172.3773 80 D 4.6905 8.5598 122.1750 52.9971 42.1424 174.1298 81 S 3.6203 8.1527 120.9704 58.3520 61.3204 172.7893 82 E 4.1908 8.5139 125.2374 58.5537 29.3095 178.8737 83 E 4.2015 8.2037 118.8205 58.9456 29.7884 178.2537 84 E 4.0132 8.1345 118.9497 59.6213 29.4952 179.2485 85 I 4.3915 7.6035 117.7556 63.4715 36.2391 178.0177 86 R 4.0437 8.0641 118.8703 59.4129 29.8768 178.6712 87 E 4.0711 8.2540 117.0093 59.1848 29.0207 178.4033 88 A 4.1949 7.7916 119.4095 55.3226 18.2848 179.5386 89 F 2.3000 8.5775 119.1806 61.2196 39.3748 177.7001 90 R 3.6309 7.3502 114.5169 58.8451 29.8619 178.6880 91 V 3.5318 7.4608 117.5794 65.6277 31.3178 177.1446 92 F 4.3901 7.0118 116.0469 58.0023 40.8040 176.5077 93 D 4.4424 7.2697 119.1933 53.2502 38.9175 176.3892 94 K 4.1120 8.8518 123.4027 58.0758 32.7389 178.0183 95 D 4.4506 7.7698 116.5889 54.3205 41.0583 176.3701 96 G 4.0354 7.1571 107.7772 46.7851 0.0000 173.7936 97 N 4.7876 8.0400 115.0887 51.6061 39.3959 175.1170 98 G 4.1304 8.4909 109.0390 45.4688 0.0000 173.5542 99 Y 5.0140 7.8973 115.7215 55.9883 41.0276 175.6260 100 I 4.5150 8.8891 124.4198 59.7455 38.6866 176.2753 101 S 4.8527 8.6639 121.8461 57.3679 65.0114 175.1646 102 A 4.0126 8.7150 120.8619 55.3473 18.1287 179.6367 103 A 4.0372 8.0105 118.7054 55.2472 18.5726 179.4350 104 E 4.0478 8.0852 116.6063 58.7935 29.3534 178.7645 105 L 4.4779 7.6678 120.3791 57.0257 42.2205 177.7570 106 R 4.2936 8.0052 116.4282 57.5640 30.2885 176.9582 107 H 4.4074 7.9970 116.9690 59.0761 30.4558 176.4709 108 V 3.7691 7.4090 118.7156 65.0923 31.2758 177.8050 109 M 4.2395 7.8878 117.5283 57.7215 32.1426 176.7921 110 T 5.0071 7.9572 111.1674 60.9167 67.8844 175.3623 111 N 4.3855 7.8431 118.1770 55.6289 37.2326 175.5603 112 L 4.4961 9.3139 116.9636 54.2397 43.5061 176.3645 113 G 3.8463 7.5868 114.1136 45.8110 0.0000 173.8965 114 E 3.9633 7.9377 120.3542 56.9276 29.9011 176.0829 115 K 4.7700 8.1496 123.5249 53.7341 32.1419 174.4011 116 L 4.0349 8.0066 121.9940 54.5433 42.6261 177.8910 117 T 4.4006 8.1434 116.9875 60.8072 70.5226 175.1694 118 D 4.3327 8.3820 120.5856 57.6334 40.7522 178.6586 119 E 4.1272 8.1641 116.3881 58.3836 29.7486 177.8439 120 E 4.3309 7.8550 118.8447 57.7181 30.3520 177.8743 121 V 3.5695 7.7825 118.4270 66.2205 31.7755 177.6627 122 D 4.3903 7.9818 118.4135 57.5367 40.3456 178.6654 123 E 4.0157 8.0969 119.2128 59.3378 29.9633 178.4096 124 M 3.9675 8.1504 118.4225 57.6562 31.9028 178.6505 125 I 3.9748 7.8276 120.7352 63.8734 37.3665 177.9874 126 R 3.9818 7.8269 115.8963 59.5200 28.9458 177.9576 127 E 4.2581 7.6055 116.8161 57.8193 29.8927 178.2640 128 A 4.1277 7.3203 119.8067 54.2316 18.7974 177.4833 129 D 4.7009 7.8142 115.4853 52.4579 40.7637 176.1560 130 I 3.9429 7.5705 119.0416 61.5917 38.0429 176.2452 131 D 4.6631 7.2997 115.2984 53.8964 42.8288 175.3049 132 G 3.7224 8.0398 108.9593 46.1639 0.0000 172.9344 133 D 4.6662 8.9937 120.6779 52.0406 42.3765 175.2618 134 G 3.2834 7.4595 111.9715 45.2197 0.0000 172.2785 135 Q 4.8492 7.7822 117.8898 53.9753 31.9878 174.0827 136 V 4.7974 8.4387 118.3057 61.6420 35.4134 173.8087 137 N 5.3511 8.4946 120.8243 52.4073 42.1347 173.6128 138 Y 3.2368 8.1944 116.6819 60.8421 37.9208 178.0869 139 E 3.6991 7.9830 119.5742 58.9166 29.7536 178.1798 140 E 4.2313 8.0197 118.1674 58.7220 29.8479 178.3780 141 F 4.3114 8.3708 120.8539 60.6659 39.4887 177.4677 142 V 3.2073 7.5923 118.3169 66.0274 31.0634 178.0598 143 Q 3.8642 7.0528 113.2618 58.9052 28.6292 177.2734 144 M 3.9902 7.0565 114.1778 56.9109 32.1551 176.5060 145 M 3.7055 6.8093 118.6710 58.0620 32.7086 177.5411 146 T 3.6697 7.3377 110.1193 63.6413 68.9228 175.4187 147 A 4.0163 7.9740 124.3930 51.6789 19.9488 178.2126 148 K 4.1645 8.4239 117.4856 57.1455 32.1705 176.0766 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 76 M 8.30 4.43 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 77 K 8.17 4.17 0.00 1.81 1.69 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.49 7.81 78 D 9.01 4.21 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 79 T 7.25 4.25 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 1.26 0.00 0.00 80 D 8.56 4.69 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 3.62 0.00 4.11 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 0.00 82 E 8.51 4.19 0.00 2.05 2.06 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 2.44 2.43 0.00 83 E 8.20 4.20 0.00 2.05 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 2.41 2.42 0.00 84 E 8.13 4.01 0.00 2.47 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 2.40 2.43 0.00 85 I 7.60 4.39 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 1.07 0.00 0.00 86 R 8.06 4.04 0.00 2.07 1.99 0.00 2.92 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 87 E 8.25 4.07 0.00 2.09 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 2.40 2.41 0.00 88 A 7.79 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.58 2.30 0.00 3.47 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 90 R 7.35 3.63 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 91 V 7.46 3.53 2.26 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 0.40 0.00 0.00 0.96 0.00 0.00 92 F 7.01 4.39 0.00 2.94 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 93 D 7.27 4.44 0.00 1.87 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 0.00 0.00 0.00 94 K 8.85 4.11 0.00 2.10 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.53 7.81 95 D 7.77 4.45 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 96 G 7.16 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 97 N 8.04 4.79 0.00 2.88 2.98 0.00 0.00 7.13 8.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.49 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.90 5.01 0.00 2.95 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 0.00 100 I 8.89 4.52 1.91 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.29 0.99 0.00 0.00 101 S 8.66 4.85 0.00 3.93 4.05 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 0.00 0.00 0.00 102 A 8.71 4.01 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 0.00 103 A 8.01 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.09 4.05 0.00 2.28 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 0.00 2.33 2.45 0.00 105 L 7.67 4.48 0.00 1.81 1.80 0.84 0.77 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 0.00 106 R 8.01 4.29 0.00 1.90 2.11 0.00 3.33 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 107 H 8.00 4.41 0.00 3.33 3.30 0.00 5.99 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.41 3.77 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.77 0.00 0.00 109 M 7.89 4.24 0.00 2.08 2.42 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.77 0.00 110 T 7.96 5.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 111 N 7.84 4.39 0.00 2.81 2.89 0.00 0.00 6.67 7.78 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 0.00 112 L 9.31 4.50 0.00 1.64 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.59 3.85 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 0.00 0.00 0.00 114 E 7.94 3.96 0.00 2.33 1.93 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 2.42 2.34 0.00 115 K 8.15 4.77 0.00 1.66 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.41 7.81 116 L 8.01 4.03 0.00 1.69 1.62 0.96 0.96 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 0.00 117 T 8.14 4.40 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 1.25 0.00 0.00 118 D 8.38 4.33 0.00 2.73 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 0.00 119 E 8.16 4.13 0.00 1.94 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 0.00 2.32 2.37 0.00 120 E 7.86 4.33 0.00 2.08 2.17 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 2.32 2.42 0.00 121 V 7.78 3.57 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 1.02 0.00 0.00 1.01 0.00 0.00 122 D 7.98 4.39 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.10 4.02 0.00 2.18 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 2.37 2.40 0.00 124 M 8.15 3.97 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.82 0.00 125 I 7.83 3.97 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.01 0.00 0.00 126 R 7.83 3.98 0.00 1.98 2.27 0.00 3.06 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.70 0.00 127 E 7.61 4.26 0.00 2.00 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 2.30 2.55 0.00 128 A 7.32 4.13 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 0.00 129 D 7.81 4.70 0.00 2.85 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 0.00 130 I 7.57 3.94 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.92 0.00 0.00 131 D 7.30 4.66 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.04 3.72 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 0.00 0.00 0.00 133 D 8.99 4.67 0.00 2.70 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 0.00 134 G 7.46 3.28 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 0.00 135 Q 7.78 4.85 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.31 0.00 0.00 0.00 0.00 0.00 2.18 2.50 0.00 136 V 8.44 4.80 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 1.14 0.00 0.00 1.01 0.00 0.00 137 N 8.49 5.35 0.00 2.87 2.56 0.00 0.00 5.21 6.07 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 0.00 138 Y 8.19 3.24 0.00 2.04 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.70 0.00 2.08 1.89 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 2.35 2.39 0.00 140 E 8.02 4.23 0.00 2.22 2.18 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 2.42 2.40 0.00 141 F 8.37 4.31 0.00 3.47 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.59 3.21 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 0.75 0.00 0.00 0.29 0.00 0.00 143 Q 7.05 3.86 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 144 M 7.06 3.99 0.00 1.76 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 145 M 6.81 3.71 0.00 1.70 0.67 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 146 T 7.34 3.67 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 1.16 0.00 0.00 147 A 7.97 4.02 1.21 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 0.00 0.00 148 K 8.42 4.16 0.00 1.83 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.30 7.81