NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.3264 8.1593 117.3751 63.8148 69.9449 174.2390 80 S 4.5123 8.8207 126.6049 57.8892 63.3511 173.8499 81 L 3.9554 8.0262 124.9762 58.2932 42.6021 179.9059 82 L 3.9016 7.8149 120.0577 58.2705 42.3580 178.5276 83 N 4.4621 8.0746 115.8329 55.3429 38.3454 176.5009 84 E 4.3466 7.9925 117.9396 57.7492 30.3557 178.5022 85 R 3.6451 7.4273 119.3246 59.0382 30.1003 178.6374 86 L 4.0694 7.7998 118.5466 57.9483 41.3366 179.6408 87 Q 4.6143 7.4423 117.3544 58.5436 28.6542 177.7031 88 H 4.3551 7.3843 117.9967 58.4268 29.9930 175.8074 89 Y 4.8497 7.5970 116.3104 57.1165 37.9854 175.2386 90 T 3.6090 7.9534 114.7145 65.1543 66.1613 172.4386 91 L 4.1002 8.4882 118.0658 54.2886 42.6213 177.9375 92 D 4.5005 7.7984 120.8138 52.9243 37.8100 174.9846 93 Y 3.6966 7.3786 124.3749 57.1881 39.0483 175.7932 94 V 3.4672 7.2762 122.4377 62.9433 31.6320 176.8682 95 S 4.7850 8.7145 122.5372 60.0841 62.9419 174.0292 96 D 4.6854 7.6970 121.4537 52.6671 42.0744 176.6752 97 R 3.5966 8.8945 126.4269 59.6692 29.7115 177.9704 98 A 3.8906 8.0156 119.8220 55.5642 18.3609 178.8870 99 Q 3.8565 7.7401 116.2576 57.8845 29.2518 177.5228 100 H 4.0710 7.9638 119.6373 59.7322 29.7593 176.5720 101 M 4.0892 8.1397 118.2936 56.6783 31.9748 178.2222 102 K 4.3263 7.4401 119.2114 59.0352 32.6670 178.3984 103 N 4.4035 8.3166 116.9979 56.6933 38.5206 177.2564 104 I 4.0795 7.9900 120.9747 62.6550 37.6219 176.4091 105 Y 5.4345 7.3822 114.5209 56.9032 38.3929 174.6551 106 D 4.7250 8.2765 121.8089 51.8156 41.5543 175.0982 107 P 2.0000 0.0000 0.0000 64.7905 31.3295 177.5871 108 S 4.3420 7.6103 109.6681 58.2311 63.1547 173.7614 109 S 4.4799 7.5142 116.0532 57.2243 63.2735 174.0999 110 R 3.7914 7.9206 123.3307 57.8654 30.0202 176.7277 111 W 5.0235 7.5493 118.1317 55.4683 29.9335 175.3528 112 F 4.7583 8.5225 120.1652 59.2171 39.4355 174.2213 113 S 4.4049 8.9814 121.6993 59.3313 65.8484 174.6629 114 R 4.5957 7.2565 116.8262 54.3883 33.8113 175.7649 115 S 4.8084 8.6534 114.1793 59.0274 64.1134 174.4366 116 V 4.3586 7.6221 120.0908 60.5814 33.8333 174.4803 117 R 3.5842 8.2873 127.3698 54.7543 30.4696 174.2155 118 P 4.3734 0.0000 0.0000 62.9298 31.7908 176.5718 119 E 4.1079 8.8925 122.3685 58.3916 29.6750 176.6334 120 F 5.1009 7.8762 119.6605 55.4245 39.9058 172.3765 121 P 4.5536 0.0000 0.0000 60.5588 29.7696 175.8240 122 I 3.1729 7.6225 123.3088 64.2270 36.9094 177.3134 123 E 3.9836 8.0891 118.2619 58.9962 28.9914 178.8950 124 E 3.6583 7.8094 117.8920 58.6628 29.6592 177.8138 125 F 4.2922 8.0117 115.9852 58.5183 39.1364 176.0066 126 L 3.9342 7.2512 121.8601 54.7710 41.6950 175.7754 127 P 4.7356 0.0000 0.0000 62.8083 31.2211 174.8040 128 Y 4.9227 6.7982 115.3576 55.0096 41.2115 174.4142 129 K 4.1917 8.5695 119.3829 55.7801 32.7523 177.6395 130 T 4.1749 8.1689 120.6581 62.7225 69.1931 173.6957 131 E 4.2101 8.3434 120.6909 56.0127 30.3468 177.5427 132 S 4.2740 8.5679 116.1607 58.6873 64.2434 175.4716 133 H 4.3127 8.9073 121.5045 58.7093 28.1304 177.8925 134 E 3.9549 7.6380 121.1151 59.4994 29.2215 178.6833 135 D 4.4185 7.9260 118.4063 57.3851 40.8993 178.6065 136 Q 4.0681 8.4244 118.5916 58.9582 28.8159 178.9328 137 A 4.0404 7.7386 120.4829 55.2191 18.5449 179.6380 138 K 3.8854 8.2578 117.1154 59.6960 32.0692 178.7971 139 Y 4.2138 7.8322 119.4351 60.4765 39.0591 177.1093 140 L 3.9373 8.1487 121.0971 58.0582 41.9476 178.7433 141 C 4.0400 7.9220 118.1680 62.9305 31.5456 175.2070 142 H 4.2421 7.7401 116.1206 58.3565 28.0574 178.1788 143 V 3.4117 7.5537 120.3906 65.8802 31.4518 177.9706 144 L 3.8188 7.6744 118.6994 57.7263 41.3748 179.8192 145 V 3.7344 8.2250 118.4634 66.2727 31.5259 177.9452 146 N 4.4568 7.9948 116.1624 55.9170 38.2377 177.2825 147 L 3.9443 8.3624 122.6189 58.0193 42.0956 178.3286 148 Y 4.0637 8.1297 119.5647 60.7036 38.2626 178.0294 149 I 3.4180 7.8043 120.3627 64.2932 36.7937 178.0506 150 A 3.9770 7.9910 121.4333 55.5590 18.0110 179.8288 151 I 3.8162 7.8086 116.8104 63.3947 37.2686 177.7240 152 S 4.4352 7.3460 112.7570 58.5573 63.3834 175.1688 153 S 4.3778 7.4990 116.5286 58.5995 64.0367 173.9357 154 L 4.0939 7.4233 124.6976 54.6074 42.0199 173.6852 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 4.33 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 8.82 4.51 0.00 4.05 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 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 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.81 3.90 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 8.07 4.46 0.00 2.93 2.84 0.00 0.00 6.78 7.10 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 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 7.43 3.65 0.00 2.11 1.86 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 1.69 0.00 86 L 7.80 4.07 0.00 1.70 1.67 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.44 4.61 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.67 2.21 0.00 88 H 7.38 4.36 0.00 3.06 3.01 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 7.60 4.85 0.00 2.99 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 90 T 7.95 3.61 4.36 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 1.27 0.00 0.00 91 L 8.49 4.10 0.00 1.48 1.33 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.80 4.50 0.00 2.92 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 93 Y 7.38 3.70 0.00 2.72 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 3.47 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 1.04 0.00 0.00 0.57 0.00 0.00 95 S 8.71 4.79 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 7.70 4.69 0.00 2.75 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 0.00 0.00 0.00 0.00 97 R 8.89 3.60 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 8.02 3.89 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 7.74 3.86 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 100 H 7.96 4.07 0.00 3.30 3.19 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 8.14 4.09 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.11 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 7.44 4.33 0.00 1.95 1.89 0.00 1.72 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 1.47 1.65 7.81 103 N 8.32 4.40 0.00 3.11 3.14 0.00 0.00 6.72 8.13 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 0.00 104 I 7.99 4.08 1.56 0.00 0.00 0.51 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 2.30 -0.13 0.00 0.00 105 Y 7.38 5.43 0.00 2.97 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 8.28 4.72 0.00 2.78 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 1.72 1.48 0.00 3.53 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 1.84 1.71 0.00 108 S 7.61 4.34 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 7.51 4.48 0.00 4.09 4.01 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 0.00 0.00 0.00 110 R 7.92 3.79 0.00 1.03 0.66 0.00 2.80 0.00 0.00 2.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.26 0.00 111 W 7.55 5.02 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 8.52 4.76 0.00 2.87 3.01 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 0.00 0.00 0.00 113 S 8.98 4.40 0.00 3.74 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 0.00 114 R 7.26 4.60 0.00 1.82 1.94 0.00 3.23 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 8.65 4.81 0.00 4.15 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 0.00 116 V 7.62 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 117 R 8.29 3.58 0.00 1.32 1.59 0.00 3.12 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.00 118 P 0.00 4.37 0.00 2.12 2.03 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 119 E 8.89 4.11 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 7.88 5.10 0.00 2.78 2.95 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 0.00 121 P 0.00 4.55 0.00 2.28 2.00 0.00 4.05 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 122 I 7.62 3.17 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.22 0.71 0.00 0.00 123 E 8.09 3.98 0.00 1.98 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 2.40 0.00 124 E 7.81 3.66 0.00 1.79 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 2.24 0.00 125 F 8.01 4.29 0.00 3.12 3.11 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 0.00 126 L 7.25 3.93 0.00 1.36 0.74 0.69 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.74 0.00 2.20 2.14 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 128 Y 6.80 4.92 0.00 3.04 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 0.00 129 K 8.57 4.19 0.00 1.79 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 130 T 8.17 4.17 4.21 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 1.17 0.00 0.00 131 E 8.34 4.21 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 8.91 4.31 0.00 3.18 3.48 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 7.64 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 2.21 2.06 0.00 135 D 7.93 4.42 0.00 2.87 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 8.42 4.07 0.00 2.36 2.24 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 2.54 0.00 137 A 7.74 4.04 1.31 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 0.00 0.00 0.00 0.00 0.00 138 K 8.26 3.89 0.00 2.02 1.96 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 1.49 1.64 7.81 139 Y 7.83 4.21 0.00 3.03 3.11 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 0.00 140 L 8.15 3.94 0.00 1.88 1.72 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.92 4.04 0.00 3.27 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 7.74 4.24 0.00 3.11 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 7.55 3.41 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 1.01 0.00 0.00 0.51 0.00 0.00 144 L 7.67 3.82 0.00 1.40 0.94 0.30 0.42 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 0.00 145 V 8.22 3.73 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 1.08 0.00 0.00 1.09 0.00 0.00 146 N 7.99 4.46 0.00 2.82 2.84 0.00 0.00 6.71 7.10 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 0.00 147 L 8.36 3.94 0.00 1.77 1.85 0.91 0.62 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 0.00 148 Y 8.13 4.06 0.00 3.17 3.22 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 0.00 149 I 7.80 3.42 2.01 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 1.53 1.26 0.88 0.00 0.00 150 A 7.99 3.98 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 0.00 151 I 7.81 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 0.79 0.88 0.00 0.00 152 S 7.35 4.44 0.00 3.74 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.38 0.00 4.02 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 0.00 154 L 7.42 4.09 0.00 1.73 2.04 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00