NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.3353 8.1593 117.3750 63.7559 69.7960 174.2443 80 S 4.5232 8.9332 125.7176 57.7494 63.3181 174.1231 81 L 3.9615 8.0328 125.0240 58.2566 42.6381 179.9076 82 L 3.8027 7.8157 120.0812 58.2881 42.3635 178.5564 83 N 4.4502 8.0297 115.7087 55.3828 37.9353 176.4864 84 E 4.3471 7.9944 117.8526 57.6896 30.3286 178.4870 85 R 3.5216 7.4034 119.5166 59.0191 30.1646 178.5620 86 L 4.0507 7.7572 118.4157 58.0094 41.3489 179.6623 87 Q 4.7692 7.4514 117.2577 58.4979 28.6510 177.6716 88 H 4.3934 7.3524 118.0737 58.2461 30.0217 175.7690 89 Y 4.8589 7.5736 116.4464 57.0421 38.0102 175.2328 90 T 3.6240 7.9546 114.6818 65.1581 66.1821 172.4535 91 L 4.0997 8.5144 117.8564 54.2836 42.5810 177.9306 92 D 4.4851 7.8090 120.7934 52.9998 37.7940 174.9142 93 Y 3.7162 7.3793 124.3115 56.9654 39.2433 175.7700 94 V 3.4628 7.2865 122.3541 62.9860 31.5721 176.9165 95 S 4.8334 8.6939 122.5649 59.9198 63.0822 173.8872 96 D 4.7283 7.7267 121.5465 52.5624 42.2446 176.6185 97 R 3.6175 8.9317 126.4265 59.8474 29.7148 178.1038 98 A 3.8762 7.9291 119.7602 55.4761 18.4397 178.8731 99 Q 3.8732 7.9529 115.9077 57.8963 29.3715 177.3542 100 H 4.0921 7.8515 119.2545 59.7261 29.7711 176.5134 101 M 4.1153 8.1602 118.0944 56.6183 31.7675 178.0228 102 K 4.3641 7.4138 119.1888 58.8220 32.7220 178.4797 103 N 4.4425 8.2188 117.0646 56.5527 38.5266 177.2856 104 I 4.0535 7.9924 121.3267 62.7637 37.6135 176.4506 105 Y 5.1848 7.2857 114.0599 56.8486 38.2100 174.6698 106 D 4.7300 8.3143 121.9089 51.7942 41.5294 175.0134 107 P 2.0000 0.0000 0.0000 64.8082 31.3216 177.5824 108 S 4.3495 7.6108 109.6649 58.1662 63.1442 173.7255 109 S 4.4783 7.6114 116.3212 57.1924 63.3334 174.0568 110 R 3.8007 7.8778 123.0436 57.7770 30.0187 176.6559 111 W 5.0278 7.5114 118.1247 55.4891 29.9310 175.3611 112 F 4.7595 8.5075 120.1503 59.1878 39.4550 174.2000 113 S 4.4164 9.2036 122.1078 59.3445 65.6909 174.6484 114 R 4.5850 7.2465 116.7938 54.3726 33.8156 175.7684 115 S 4.7747 8.6290 114.0634 59.0357 64.1117 174.4624 116 V 4.3644 7.6074 120.0391 60.5624 33.8410 174.5037 117 R 3.6094 8.2854 127.3527 54.7936 30.1683 174.2193 118 P 4.3738 0.0000 0.0000 62.8957 31.8200 177.3545 119 E 4.0907 8.8994 122.5183 58.3952 29.6681 176.6267 120 F 5.0671 7.4554 117.1410 55.5779 39.8539 171.8451 121 P 4.5537 0.0000 0.0000 60.8312 30.4294 177.2529 122 I 3.1944 7.8033 128.0049 64.9249 37.1745 178.4852 123 E 3.9913 8.0813 118.9085 58.8929 29.4505 178.7919 124 E 3.6828 7.7754 117.3119 58.5465 29.6766 177.9186 125 F 4.2626 7.9895 116.1315 58.6496 39.0605 176.0750 126 L 3.9299 7.2705 121.8549 54.6759 41.6986 175.6990 127 P 4.7354 0.0000 0.0000 62.9836 31.3603 174.6026 128 Y 4.8990 6.8195 115.4641 55.4520 41.2009 174.2702 129 K 4.1883 8.5785 119.3443 55.7359 32.7288 177.6066 130 T 4.1437 8.1677 120.7038 62.8100 69.1584 173.6194 131 E 4.2238 8.3267 120.6701 55.9332 30.3882 177.5139 132 S 4.2660 8.5698 116.1620 58.7169 64.1748 175.4837 133 H 4.3059 8.9214 121.5916 58.6927 28.1298 177.8782 134 E 3.9509 7.6309 121.1663 59.4671 29.2682 178.6445 135 D 4.4075 7.9153 118.4269 57.4081 40.9022 178.5595 136 Q 4.0571 8.4307 118.6008 59.0332 28.6530 179.0259 137 A 4.0375 7.7363 120.4755 55.1901 18.6244 179.6951 138 K 3.9100 8.2584 117.0775 59.6550 32.0581 178.8974 139 Y 4.1937 7.9137 119.5613 60.5733 39.0139 177.1274 140 L 3.9317 8.0850 121.1007 58.0110 41.9246 178.7211 141 C 4.0441 7.8692 118.3576 62.9356 31.5884 175.1801 142 H 4.1391 7.6431 116.3247 58.4123 28.0919 178.1679 143 V 3.3813 7.5642 120.3177 65.9248 31.4714 177.9526 144 L 3.8437 7.6739 118.6976 57.7576 41.3548 179.8704 145 V 3.7343 8.1774 118.4556 66.2619 31.5109 177.9546 146 N 4.4641 8.0232 115.8842 55.9289 38.2915 177.2675 147 L 3.9427 8.4003 122.6090 57.9776 41.9762 178.3908 148 Y 4.0488 8.0672 119.6356 60.6672 38.4337 177.9461 149 I 3.4546 7.8419 120.4653 64.2571 36.7783 178.0612 150 A 3.9739 8.0232 121.5042 55.5443 18.0289 179.8342 151 I 3.8161 7.7264 116.5279 63.3395 37.2684 177.7142 152 S 4.4397 7.3137 113.2278 58.5536 63.4274 175.2286 153 S 4.3612 7.4747 117.1582 58.7000 63.9294 173.9438 154 L 4.1003 7.4155 124.7327 54.6277 42.0507 173.6601 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 79 T 8.16 4.34 4.24 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 1.21 0.00 0.00 80 S 8.93 4.52 0.00 4.04 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 81 L 8.03 3.96 0.00 1.76 1.70 0.88 0.49 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 82 L 7.82 3.80 0.00 1.75 1.64 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.03 4.45 0.00 2.92 2.84 0.00 0.00 6.79 7.21 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 84 E 7.99 4.35 0.00 2.13 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 0.00 2.40 2.31 0.00 85 R 7.40 3.52 0.00 1.95 1.84 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 86 L 7.76 4.05 0.00 1.84 1.67 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.45 4.77 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.67 2.22 0.00 88 H 7.35 4.39 0.00 2.80 3.02 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.57 4.86 0.00 2.98 2.84 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 90 T 7.95 3.62 4.37 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 1.28 0.00 0.00 91 L 8.51 4.10 0.00 1.47 1.32 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.81 4.49 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.38 3.72 0.00 2.71 2.40 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 94 V 7.29 3.46 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 1.05 0.00 0.00 0.62 0.00 0.00 95 S 8.69 4.83 0.00 4.00 4.07 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 96 D 7.73 4.73 0.00 2.72 2.56 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 97 R 8.93 3.62 0.00 1.86 1.86 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 98 A 7.93 3.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.87 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 100 H 7.85 4.09 0.00 3.33 3.17 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.16 4.12 0.00 2.05 2.11 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 2.58 2.68 0.00 102 K 7.41 4.36 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 103 N 8.22 4.44 0.00 3.12 3.13 0.00 0.00 6.69 7.62 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 0.00 104 I 7.99 4.05 1.57 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.20 -0.13 0.00 0.00 105 Y 7.29 5.18 0.00 3.03 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 0.00 106 D 8.31 4.73 0.00 2.77 2.74 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 0.00 107 P 0.00 2.00 0.00 1.74 1.53 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 108 S 7.61 4.35 0.00 3.89 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 0.00 109 S 7.61 4.48 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.88 3.80 0.00 1.00 0.66 0.00 2.83 0.00 0.00 2.55 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.26 0.00 111 W 7.51 5.03 0.00 3.67 3.30 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 0.00 112 F 8.51 4.76 0.00 2.85 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 0.00 113 S 9.20 4.42 0.00 3.62 3.73 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 0.00 114 R 7.25 4.58 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 115 S 8.63 4.77 0.00 4.14 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 0.00 116 V 7.61 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 117 R 8.29 3.61 0.00 1.31 1.59 0.00 3.12 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.00 118 P 0.00 4.37 0.00 2.25 2.01 0.00 3.67 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 119 E 8.90 4.09 0.00 2.02 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 2.33 2.32 0.00 120 F 7.46 5.07 0.00 2.82 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 0.00 121 P 0.00 4.55 0.00 2.42 2.21 0.00 3.90 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 122 I 7.80 3.19 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.37 0.71 0.00 0.00 123 E 8.08 3.99 0.00 2.00 1.92 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 2.35 2.34 0.00 124 E 7.78 3.68 0.00 1.81 1.70 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 2.22 2.18 0.00 125 F 7.99 4.26 0.00 3.12 3.12 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 0.00 0.00 0.00 126 L 7.27 3.93 0.00 1.41 0.74 0.66 0.82 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 0.00 127 P 0.00 4.74 0.00 2.32 2.22 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 128 Y 6.82 4.90 0.00 3.06 2.89 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 0.00 0.00 0.00 129 K 8.58 4.19 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 130 T 8.17 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 1.17 0.00 0.00 131 E 8.33 4.22 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 132 S 8.57 4.27 0.00 4.07 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.92 4.31 0.00 3.19 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.63 3.95 0.00 1.92 1.96 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 2.20 2.06 0.00 135 D 7.92 4.41 0.00 2.88 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 0.00 136 Q 8.43 4.06 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 137 A 7.74 4.04 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.26 3.91 0.00 2.02 1.95 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 139 Y 7.91 4.19 0.00 2.99 3.10 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 0.00 140 L 8.09 3.93 0.00 1.89 1.72 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.87 4.04 0.00 3.22 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 0.00 142 H 7.64 4.14 0.00 3.24 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.56 3.38 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 0.97 0.00 0.00 0.47 0.00 0.00 144 L 7.67 3.84 0.00 1.43 1.01 0.36 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.18 3.73 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 1.07 0.00 0.00 1.12 0.00 0.00 146 N 8.02 4.46 0.00 2.85 2.84 0.00 0.00 6.71 8.09 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 0.00 147 L 8.40 3.94 0.00 1.75 1.86 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.07 4.05 0.00 3.16 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 0.00 149 I 7.84 3.45 2.02 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 1.54 0.99 0.89 0.00 0.00 150 A 8.02 3.97 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 0.00 151 I 7.73 3.82 1.79 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 1.55 0.76 0.87 0.00 0.00 152 S 7.31 4.44 0.00 3.70 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.47 4.36 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.42 4.10 0.00 1.72 2.05 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00