NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 93 G 3.9396 8.3393 109.7357 45.8125 0.0000 173.3805 94 S 3.9793 7.7508 118.8895 60.2463 65.6882 177.7854 95 G 4.0111 9.4948 111.6892 45.6220 0.0000 175.5540 96 E 4.0231 9.5814 117.6242 59.6554 30.7680 178.4991 97 R 4.2836 7.6539 117.8391 55.1205 28.7142 175.2214 98 D 5.0002 7.3180 118.7510 51.5164 45.1673 176.1912 99 S 4.1360 8.7362 119.4071 61.7942 62.5305 176.9432 100 R 3.7694 8.5052 121.7320 59.6516 29.6176 177.9417 101 E 3.8608 8.3086 118.1527 59.5909 29.4411 179.2927 102 E 3.6314 7.7348 117.6820 59.2124 29.4851 179.0196 103 I 3.4757 7.1782 120.1663 64.5224 37.1336 178.1581 104 L 4.0372 7.9707 121.0012 57.9056 41.8495 178.9238 105 K 3.8784 8.3563 118.6868 59.5573 32.0521 178.9115 106 A 3.9050 8.2476 121.1388 55.1064 18.2338 179.1603 107 F 3.3659 8.8113 119.3270 61.4614 39.1807 177.5055 108 R 3.8761 8.1344 116.3724 59.1832 30.0195 178.5860 109 L 4.1693 8.0429 118.4667 59.0397 40.3320 179.1059 110 F 4.4153 8.3970 117.9876 59.8879 40.2513 176.8463 111 D 4.6187 8.1152 118.7099 52.9588 37.4244 176.0249 112 D 4.3131 7.8144 123.0957 57.6648 41.6703 177.0797 113 D 4.3712 8.7452 115.7152 53.6511 39.8202 175.1385 114 N 4.2678 7.9560 118.1510 55.0447 37.5515 174.6121 115 S 4.2110 8.3455 112.1078 59.1623 63.5792 176.1305 116 G 4.0704 9.7671 108.7600 45.6142 0.0000 173.1904 117 T 4.8293 7.3601 106.7904 60.4413 71.7705 173.2034 118 I 4.2484 8.6291 125.8147 60.4772 38.3550 175.8002 119 T 4.4921 9.1119 118.7879 60.3159 70.7171 175.7722 120 I 3.5957 8.4483 121.0741 64.2787 37.6762 177.7609 121 K 3.8984 7.9345 118.5780 59.5058 31.9083 178.6607 122 D 4.2612 8.1191 119.2231 57.4316 40.7432 178.8990 123 L 3.6706 8.0084 119.5454 57.6757 41.6336 179.4949 124 R 3.7808 8.1635 118.8508 59.4258 29.9162 178.1515 125 R 3.7692 8.1812 118.7136 59.5759 29.9434 178.1105 126 V 3.4756 7.9226 117.8239 66.1175 31.4012 177.6553 127 A 3.9037 8.1759 120.3065 55.1583 18.3012 179.4229 128 K 3.7965 8.3594 117.1433 59.9087 31.9802 179.1802 129 E 3.9726 8.1612 117.2963 59.6703 29.5071 179.4183 130 L 4.1653 7.9865 117.7811 56.3073 41.7271 177.8871 131 G 3.9836 7.7978 105.4520 45.6758 0.0000 174.3930 132 E 4.1533 7.9408 119.1129 56.4598 27.9980 176.8964 133 N 4.7088 8.1338 124.3530 52.2691 36.9426 175.3278 134 L 4.3232 7.4406 119.6795 54.5027 43.1479 178.1375 135 T 4.3147 8.9881 113.3302 60.8094 71.2767 175.7223 136 E 3.9138 8.7218 121.3138 59.9308 29.4120 179.7579 137 E 3.9060 8.0545 117.4676 59.4551 29.7067 178.7723 138 E 4.0770 7.9185 118.0573 59.6605 29.6194 179.5358 139 L 3.9705 8.0815 118.7280 58.1266 41.7462 179.7436 140 Q 4.1571 8.5562 118.1925 58.7854 28.4746 178.7723 141 E 3.9390 8.6169 120.1186 59.6591 29.4559 179.0784 142 M 4.0501 8.0078 118.5149 58.7986 32.0998 178.3730 143 I 3.6616 8.2510 119.6143 65.0005 37.1207 178.1313 144 A 4.1106 8.4283 121.0101 55.2495 18.3255 178.8623 145 E 3.9947 8.4599 117.1944 59.1106 29.7349 178.2512 146 A 4.4937 7.6399 119.0660 52.7371 19.6644 177.2132 147 D 4.6204 8.2486 118.2794 54.3755 41.4782 175.8327 148 R 4.6937 9.5336 122.5785 55.6770 29.9674 175.6523 149 N 4.7651 8.5244 115.1855 52.2794 38.8589 174.3732 150 D 4.4789 8.8980 118.0713 55.5195 38.7690 173.8749 151 D 4.7134 8.8634 118.0143 52.5369 40.4273 176.5863 152 N 4.5554 8.6542 116.5269 52.9573 36.2691 173.4611 153 E 4.8479 8.7082 117.6928 54.8612 33.0905 175.5574 154 I 4.4398 8.8933 126.3557 60.8946 38.1577 175.7346 155 D 5.0795 9.6901 128.3311 52.5565 41.1536 177.3096 156 E 3.0966 8.9179 118.8165 59.2766 29.3337 177.9906 157 D 4.2726 8.0889 117.2177 57.5947 41.2150 177.8110 158 E 4.0204 8.8423 119.1708 59.4510 29.4963 179.2814 159 F 4.3434 8.7503 120.7559 61.4583 39.4893 176.8034 160 I 3.5750 8.1944 119.9250 64.6777 36.9280 177.8095 161 R 3.8462 8.3284 119.3623 59.9419 29.8041 178.3755 162 I 3.7780 8.1354 118.2839 64.1137 37.9142 177.7960 163 M 3.8553 8.2467 120.2243 58.0881 31.6373 178.8234 164 K 3.9048 8.2833 118.7294 59.3020 32.0928 178.9856 165 K 3.7949 7.9742 119.4710 59.9807 31.9684 177.4825 166 T 4.2019 7.9512 111.5072 63.1171 68.6646 174.7914 167 S 3.7536 8.0019 117.0006 59.5341 60.9787 173.8520 168 L 3.8996 7.9817 121.9717 57.2687 41.8311 177.6121 169 F 4.4977 7.5115 120.4894 57.8950 39.9184 173.9321 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 93 G 8.34 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 94 S 7.75 3.98 0.00 4.22 4.11 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 95 G 9.49 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 0.00 0.00 0.00 96 E 9.58 4.02 0.00 1.94 2.01 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 2.30 2.38 0.00 97 R 7.65 4.28 0.00 1.90 1.89 0.00 3.09 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 98 D 7.32 5.00 0.00 2.79 2.43 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 99 S 8.74 4.14 0.00 3.92 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 0.00 100 R 8.51 3.77 0.00 1.90 1.90 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 101 E 8.31 3.86 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 102 E 7.73 3.63 0.00 1.16 1.12 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 2.25 2.21 0.00 103 I 7.18 3.48 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.35 0.97 0.00 0.00 104 L 7.97 4.04 0.00 1.78 1.75 0.94 0.98 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 0.00 105 K 8.36 3.88 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 106 A 8.25 3.91 1.49 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 0.00 0.00 107 F 8.81 3.37 0.00 3.15 3.24 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 0.00 108 R 8.13 3.88 0.00 2.00 2.00 0.00 3.50 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 109 L 8.04 4.17 0.00 1.80 1.99 1.17 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.40 4.42 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.62 0.00 2.18 2.30 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 D 7.81 4.31 0.00 2.62 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 0.00 113 D 8.75 4.37 0.00 2.72 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 0.00 114 N 7.96 4.27 0.00 2.78 2.86 0.00 0.00 7.18 8.46 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 0.00 115 S 8.35 4.21 0.00 4.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.77 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 0.00 0.00 0.00 117 T 7.36 4.83 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 1.30 0.00 0.00 118 I 8.63 4.25 1.78 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.81 0.00 0.00 119 T 9.11 4.49 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 1.24 0.00 0.00 120 I 8.45 3.60 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.89 0.00 0.00 121 K 7.93 3.90 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 122 D 8.12 4.26 0.00 2.81 2.75 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 0.00 123 L 8.01 3.67 0.00 1.71 1.59 0.90 0.57 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 0.00 124 R 8.16 3.78 0.00 1.93 2.02 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 125 R 8.18 3.77 0.00 1.92 2.04 0.00 3.19 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 126 V 7.92 3.48 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 0.71 0.00 0.00 0.68 0.00 0.00 127 A 8.18 3.90 1.41 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 0.00 0.00 128 K 8.36 3.80 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.62 7.81 129 E 8.16 3.97 0.00 2.12 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 2.44 2.50 0.00 130 L 7.99 4.17 0.00 1.75 1.74 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.80 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 0.00 0.00 0.00 132 E 7.94 4.15 0.00 2.06 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 2.34 2.42 0.00 133 N 8.13 4.71 0.00 2.70 2.78 0.00 0.00 7.48 7.84 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 0.00 134 L 7.44 4.32 0.00 1.60 1.57 0.89 0.98 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 0.00 135 T 8.99 4.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 136 E 8.72 3.91 0.00 2.06 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 2.40 2.48 0.00 137 E 8.05 3.91 0.00 1.97 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 2.39 2.34 0.00 138 E 7.92 4.08 0.00 2.18 2.01 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 2.33 2.37 0.00 139 L 8.08 3.97 0.00 1.81 1.69 0.94 1.18 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 0.00 140 Q 8.56 4.16 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 141 E 8.62 3.94 0.00 2.16 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 2.33 2.52 0.00 142 M 8.01 4.05 0.00 2.11 2.29 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 2.78 2.62 0.00 143 I 8.25 3.66 2.05 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 1.59 0.79 0.93 0.00 0.00 144 A 8.43 4.11 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 0.00 145 E 8.46 3.99 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 2.35 2.40 0.00 146 A 7.64 4.49 1.46 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 0.00 0.00 147 D 8.25 4.62 0.00 2.73 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 0.00 148 R 9.53 4.69 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 149 N 8.52 4.77 0.00 2.83 3.04 0.00 0.00 6.61 8.55 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 0.00 150 D 8.90 4.48 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.86 4.71 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.65 4.56 0.00 3.05 3.13 0.00 0.00 6.70 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 0.00 153 E 8.71 4.85 0.00 1.87 1.86 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 2.23 2.44 0.00 154 I 8.89 4.44 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 1.24 0.00 0.00 155 D 9.69 5.08 0.00 2.84 2.90 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 0.00 0.00 0.00 156 E 8.92 3.10 0.00 1.51 1.75 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 2.02 1.47 0.00 157 D 8.09 4.27 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.84 4.02 0.00 2.34 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 0.00 2.46 2.50 0.00 159 F 8.75 4.34 0.00 3.45 3.34 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 0.00 160 I 8.19 3.58 2.08 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.88 0.00 0.00 161 R 8.33 3.85 0.00 1.96 2.15 0.00 3.11 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 162 I 8.14 3.78 1.90 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 1.52 1.41 1.01 0.00 0.00 163 M 8.25 3.86 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 164 K 8.28 3.90 0.00 1.92 1.84 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 165 K 7.97 3.79 0.00 1.78 2.05 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 166 T 7.95 4.20 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 1.18 0.00 0.00 167 S 8.00 3.75 0.00 3.93 3.89 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 0.00 168 L 7.98 3.90 0.00 1.55 1.32 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 169 F 7.51 4.50 0.00 2.92 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