NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 A 4.3238 8.2649 123.5822 52.2014 19.9503 176.0575 102 S 4.5006 7.5743 111.8718 55.8524 66.2727 175.3343 103 D 5.1249 9.4115 134.5669 54.7240 40.1609 176.6009 104 G 4.0624 8.3762 107.9609 43.0880 0.0000 173.7767 105 L 4.5955 8.1709 121.8297 53.5797 45.0756 170.6245 106 P 4.4072 0.0000 0.0000 62.7783 30.4524 175.0239 107 N 5.1006 8.0934 118.5114 51.1918 40.8638 175.8920 108 K 4.5076 8.0998 117.6154 55.6397 32.6983 174.7583 109 K 4.2601 7.6515 119.8918 56.5815 33.6888 176.2289 110 R 4.2832 8.0945 119.9175 54.8351 31.7726 175.1306 111 K 4.3041 8.3183 125.2691 54.3878 31.6975 175.5429 112 R 4.1299 8.0856 125.5646 54.8853 30.9604 176.0794 113 R 3.8193 8.5310 124.3380 56.9488 30.6967 177.8197 114 V 4.2998 7.8802 128.4257 60.4815 30.8212 176.0612 115 L 3.7970 7.3292 119.5125 55.0123 42.8267 177.4273 116 F 5.0069 7.6997 121.8327 56.5423 39.9322 176.5193 117 T 4.1286 8.2839 114.1917 61.4098 70.3770 175.4317 118 K 4.1123 8.8832 123.4988 60.3910 31.9313 178.0616 119 A 4.4389 8.2108 119.9736 55.4226 18.1481 179.0126 120 Q 3.8427 8.0189 114.7559 59.4649 28.2219 179.6421 121 T 3.5509 9.0749 116.7833 67.0004 68.2062 175.5274 122 Y 4.5917 8.8837 121.8797 61.1257 38.7707 178.3278 123 E 3.5389 8.2787 119.5295 58.9890 29.4410 179.3090 124 L 3.5728 7.6211 119.3594 57.5437 41.1832 179.0909 125 E 3.9680 8.7449 118.3837 59.9133 29.3450 179.3294 126 R 3.8946 8.8967 118.0678 60.1606 29.9357 179.2169 127 R 4.4400 8.4045 118.8113 58.4708 30.3855 178.9481 128 F 4.7786 9.0599 122.5609 61.0455 39.4255 177.3999 129 R 4.3443 9.7431 115.3572 58.2586 30.0230 177.9584 130 Q 4.4625 7.8447 117.8205 56.1088 30.2246 175.5208 131 Q 4.5271 7.4106 120.2677 54.7481 32.3054 175.3523 132 R 3.0541 8.2212 124.2930 58.5138 30.4782 176.5759 133 Y 4.8295 7.4602 114.2780 57.2853 41.4171 173.8447 134 L 4.7057 8.3716 125.1401 52.3199 44.9891 177.3739 135 S 4.4446 8.3335 117.4628 57.4990 64.9156 175.2566 136 A 3.9284 8.3985 124.9916 55.2008 18.0608 178.4611 137 P 4.6546 0.0000 0.0000 66.1763 31.6020 177.6171 138 E 3.8945 8.4170 117.0773 60.0463 29.2379 179.2829 139 R 3.8835 8.3201 115.6657 59.4688 29.7290 178.6792 140 E 3.9812 9.4855 119.7681 59.6991 29.4620 178.9524 141 H 3.9924 8.1794 118.0550 59.0040 29.8866 177.1311 142 L 3.8724 7.8149 121.6149 58.0803 42.0328 178.5459 143 A 3.9516 8.4871 121.0447 55.0695 16.8449 179.6809 144 S 4.0190 8.9865 112.8427 61.5008 62.3103 176.4043 145 L 4.1961 7.8161 120.7883 57.1742 41.5205 178.6571 146 I 4.1526 7.5217 110.0529 60.0719 38.5145 175.5423 147 R 3.9770 7.4336 119.6638 57.3764 28.4664 175.6596 148 L 4.5442 7.4888 115.6074 52.9774 42.9565 176.1804 149 T 4.4407 7.9803 109.1054 60.1147 70.1486 174.3772 150 P 4.8270 0.0000 0.0000 66.1700 31.2098 178.9523 151 T 3.9499 8.0242 114.0811 66.9264 67.8634 176.3905 152 Q 3.8758 9.6285 120.0553 59.2135 28.5995 177.9521 153 V 3.5650 7.9429 119.6162 64.8197 30.8379 177.9696 154 K 4.3999 9.2631 117.9315 59.9820 32.2214 178.9718 155 I 4.2836 8.9362 120.6731 64.3294 36.8562 178.4533 156 W 4.2438 7.9641 127.2097 60.3361 30.6564 177.8528 157 F 4.7166 8.8125 118.5173 60.5005 38.3121 177.3677 158 Q 4.2861 9.7765 118.0579 59.5928 28.5635 179.0793 159 N 4.3168 8.6670 117.3686 56.4020 38.4861 177.0295 160 H 3.7693 7.6779 120.1371 58.7069 29.8903 177.4594 161 R 4.1423 7.9334 117.8890 59.4834 29.1967 178.2509 162 Y 4.3323 8.0140 119.8291 60.4518 38.6516 177.7319 163 K 3.5504 7.1954 117.3100 59.3243 32.4445 178.6441 164 T 3.7420 7.5925 113.3358 65.3421 67.1805 175.9836 165 K 3.9303 7.3825 117.4035 59.5139 32.2250 179.4282 166 R 3.7261 7.3212 118.0740 59.3438 30.0223 178.6519 167 A 3.9177 7.5222 119.8978 55.6033 18.2985 179.5501 168 Q 4.0731 7.9684 115.7486 58.3350 28.7341 177.9952 169 N 4.3574 7.9858 118.4622 56.5305 38.3697 176.3694 170 E 4.0975 7.9892 120.4168 58.0275 30.1956 176.0790 171 K 4.2944 7.7232 119.5827 55.5489 30.2055 174.6476 172 G 3.7209 8.1317 113.2368 42.1905 0.0000 172.8072 173 Y 5.0187 6.6203 119.5110 55.4909 41.1439 172.1799 174 E 4.3952 7.6264 120.0445 55.0958 28.9387 178.4382 175 G 2.6823 7.2091 108.3289 45.0175 0.0000 172.4604 176 H 4.5952 7.9538 123.0924 52.9456 32.5067 172.2841 177 P 4.3957 0.0000 0.0000 63.0024 31.2028 176.1356 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 101 A 8.26 4.32 1.27 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 0.00 0.00 0.00 102 S 7.57 4.50 0.00 3.90 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 0.00 103 D 9.41 5.12 0.00 2.80 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 0.00 104 G 8.38 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 0.00 0.00 0.00 105 L 8.17 4.60 0.00 1.65 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.41 0.00 2.08 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 107 N 8.09 5.10 0.00 2.74 2.72 0.00 0.00 6.10 7.14 0.00 0.00 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 K 8.10 4.51 0.00 1.84 1.83 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 109 K 7.65 4.26 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 110 R 8.09 4.28 0.00 1.78 1.82 0.00 3.40 0.00 0.00 3.46 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 111 K 8.32 4.30 0.00 1.70 1.74 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 112 R 8.09 4.13 0.00 1.80 1.80 0.00 3.30 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 113 R 8.53 3.82 0.00 1.77 1.80 0.00 3.20 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 114 V 7.88 4.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 115 L 7.33 3.80 0.00 1.60 1.56 0.83 0.88 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 0.00 116 F 7.70 5.01 0.00 3.07 2.99 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 0.00 0.00 0.00 117 T 8.28 4.13 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 1.26 0.00 0.00 118 K 8.88 4.11 0.00 1.87 1.92 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.59 7.81 119 A 8.21 4.44 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 0.00 120 Q 8.02 3.84 0.00 2.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 121 T 9.07 3.55 4.41 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 1.42 0.00 0.00 122 Y 8.88 4.59 0.00 2.76 3.16 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 0.00 0.00 0.00 123 E 8.28 3.54 0.00 1.77 1.72 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 2.19 2.36 0.00 124 L 7.62 3.57 0.00 0.27 0.13 0.17 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.74 3.97 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 126 R 8.90 3.89 0.00 1.49 1.81 0.00 2.79 0.00 0.00 2.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 127 R 8.40 4.44 0.00 2.16 1.72 0.00 3.09 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 128 F 9.06 4.78 0.00 3.73 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.74 4.34 0.00 2.09 2.10 0.00 3.51 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 130 Q 7.84 4.46 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 131 Q 7.41 4.53 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 132 R 8.22 3.05 0.00 1.36 0.66 0.00 3.14 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.28 0.00 133 Y 7.46 4.83 0.00 2.90 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 L 8.37 4.71 0.00 1.38 1.39 0.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.33 4.44 0.00 4.02 3.96 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 0.00 136 A 8.40 3.93 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 0.00 137 P 0.00 4.65 0.00 2.01 2.12 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 138 E 8.42 3.89 0.00 2.18 1.83 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 2.35 2.24 0.00 139 R 8.32 3.88 0.00 2.01 2.07 0.00 2.98 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 140 E 9.49 3.98 0.00 2.02 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 0.00 2.33 2.36 0.00 141 H 8.18 3.99 0.00 3.48 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.81 3.87 0.00 1.76 1.74 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.49 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.99 4.02 0.00 3.75 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 0.00 145 L 7.82 4.20 0.00 1.61 1.67 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.52 4.15 1.79 0.00 0.00 0.58 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 0.63 0.88 0.00 0.00 147 R 7.43 3.98 0.00 2.08 2.16 0.00 3.29 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 148 L 7.49 4.54 0.00 1.52 1.46 0.25 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.98 4.44 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 1.23 0.00 0.00 150 P 0.00 4.83 0.00 2.20 2.16 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 151 T 8.02 3.95 4.31 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 1.27 0.00 0.00 152 Q 9.63 3.88 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 153 V 7.94 3.56 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 1.49 0.00 0.00 0.98 0.00 0.00 154 K 9.26 4.40 0.00 2.15 2.00 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.77 7.81 155 I 8.94 4.28 2.13 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 1.69 0.99 1.03 0.00 0.00 156 W 7.96 4.24 0.00 3.68 3.04 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 0.00 157 F 8.81 4.72 0.00 3.52 3.43 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 0.00 158 Q 9.78 4.29 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 159 N 8.67 4.32 0.00 2.62 2.58 0.00 0.00 6.90 7.76 0.00 0.00 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 H 7.68 3.77 0.00 2.24 1.31 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.93 4.14 0.00 2.22 2.48 0.00 3.31 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.87 0.00 162 Y 8.01 4.33 0.00 2.98 2.99 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 0.00 0.00 0.00 163 K 7.20 3.55 0.00 1.64 1.51 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.50 7.81 164 T 7.59 3.74 4.15 0.00 0.00 0.00 0.00 0.00 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 0.00 165 K 7.38 3.93 0.00 1.93 1.91 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.76 7.81 166 R 7.32 3.73 0.00 1.43 1.71 0.00 2.65 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.00 167 A 7.52 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 4.07 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 169 N 7.99 4.36 0.00 2.87 2.95 0.00 0.00 6.68 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.99 4.10 0.00 2.16 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 0.00 2.30 2.48 0.00 171 K 7.72 4.29 0.00 1.97 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 172 G 8.13 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 0.00 173 Y 6.62 5.02 0.00 3.23 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 0.00 174 E 7.63 4.40 0.00 1.94 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 2.27 2.26 0.00 175 G 7.21 2.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 7.95 4.60 0.00 3.14 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.40 0.00 2.17 2.02 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00