NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3626 8.1627 120.6116 55.4265 34.0627 173.7189 102 L 4.8551 8.6393 128.4622 51.6955 43.0474 173.8140 103 I 5.1853 9.2253 121.5185 58.6041 41.3088 174.0898 104 K 5.2057 8.5400 120.8883 54.4567 35.7611 175.8880 105 V 4.8054 8.6105 123.3479 59.7345 34.4165 174.2664 106 K 4.6086 9.3965 128.0324 55.3379 33.5996 176.2333 107 T 4.4615 8.5121 122.1278 61.3599 69.0516 173.9635 108 L 4.5627 8.3904 122.3734 55.7473 41.6445 176.5936 109 T 4.5797 7.3270 104.1881 60.6783 69.5774 173.5920 110 G 3.9435 8.2420 108.6739 47.0546 0.0000 176.2295 111 K 3.7738 8.3747 121.4279 58.6225 32.4359 173.1177 112 E 3.8226 8.2975 128.3539 55.6856 27.4828 172.6335 113 I 4.5891 8.3196 119.4281 58.9079 40.8677 174.0548 114 E 4.9712 8.5912 124.1360 55.1507 31.1563 175.1290 115 I 4.7453 9.2869 126.6462 59.7330 42.0439 173.7231 116 D 5.3168 8.6562 125.0875 53.2238 41.8784 176.0107 117 I 4.7254 8.7169 123.7102 59.8040 41.7926 174.2194 118 E 4.7223 9.2284 124.7797 53.9371 31.5975 175.8745 119 P 3.8295 0.0000 0.0000 65.2421 31.8290 177.4846 120 T 4.1574 7.6390 111.0714 63.1236 67.9861 174.5496 121 D 4.5569 8.6675 122.5500 54.2392 41.6843 175.9246 122 K 4.7371 8.2772 121.0937 55.6399 33.6657 178.2402 123 V 3.5814 8.9649 121.6439 66.2762 31.4528 177.9015 124 E 3.8935 7.9449 118.9948 59.7598 29.3180 179.1208 125 R 4.0297 8.0164 118.2424 59.2796 30.2996 178.1629 126 I 3.6696 7.5816 119.3499 64.6086 36.9684 178.4679 127 K 4.2573 7.8634 119.9765 58.8251 31.9798 179.1019 128 E 3.9702 7.7454 117.8451 59.2813 29.3221 179.5503 129 R 3.8805 8.1378 118.2188 59.1691 30.0764 179.1367 130 V 3.5202 7.5810 117.4780 65.9769 31.4505 177.3593 131 E 4.1469 8.4066 119.2140 59.5789 29.2600 178.1037 132 E 3.7112 8.3178 118.0696 59.4843 29.6070 178.6633 133 K 4.2115 7.8330 116.7384 58.3107 32.6955 178.1296 134 E 4.5611 8.9919 116.8533 55.2887 30.5790 176.9465 135 G 3.7523 8.7849 107.7774 46.0193 0.0000 173.5110 136 I 4.1182 7.5518 120.6016 58.6990 37.2466 174.0754 137 P 4.3889 0.0000 0.0000 62.4833 31.8116 176.0777 138 P 4.3476 0.0000 0.0000 65.3644 31.6864 178.5609 139 Q 3.9825 8.2716 116.8914 58.6085 28.6354 177.2658 140 Q 4.5103 7.8814 112.9849 55.8245 28.8857 174.9087 141 Q 4.4118 7.7707 118.2710 55.2141 30.1383 174.9817 142 R 4.6265 8.2523 120.0676 54.5381 33.5138 174.2133 143 L 4.9527 8.3905 124.2541 53.7696 44.2378 176.1360 144 I 4.8017 8.5072 122.2640 59.8585 41.5133 173.5094 145 Y 4.7988 8.8130 128.6258 56.4203 41.1160 175.5481 146 S 3.5095 9.1498 120.2660 59.2583 61.7692 170.7481 147 G 4.3393 8.0464 116.3395 46.4161 0.0000 172.9647 148 K 4.0584 7.7638 119.8000 56.1591 32.4727 176.1237 149 Q 4.8800 8.3944 122.0523 54.4173 28.9515 174.2461 150 M 3.1076 7.8305 124.4407 55.5840 32.6901 175.8261 151 N 4.6942 10.4911 124.8049 52.4554 40.3807 175.3069 152 D 4.8859 8.8187 123.9303 53.9062 39.2966 176.9963 153 E 4.3566 9.0673 121.8235 56.8650 31.2805 176.0906 154 K 4.3815 7.7863 118.1480 55.6040 33.9325 175.0799 155 T 4.9098 9.8631 114.0939 60.2034 69.4039 174.9346 156 A 4.0259 8.8943 129.6268 55.6120 18.8356 180.1581 157 A 3.9997 8.0207 117.6583 55.5232 18.1646 179.2730 158 D 4.1834 7.8159 116.2709 57.4044 40.8319 178.0726 159 Y 4.5937 7.4602 113.8609 56.5949 38.5597 175.5586 160 K 3.9077 8.5870 118.0734 57.4636 30.2853 175.8038 161 I 3.7139 7.7016 118.2317 60.8108 38.1425 176.3015 162 L 4.3837 8.7893 124.7077 53.6231 45.1666 179.1718 163 G 3.8339 9.1827 113.0949 46.7441 0.0000 174.0100 164 G 3.6760 8.8648 112.5237 47.5272 0.0000 174.0973 165 S 4.2949 7.6708 114.6708 58.7231 64.0247 173.9425 166 V 4.9449 8.6286 121.3770 61.3233 33.4395 174.5237 167 L 5.0457 9.1146 128.0026 53.6432 44.4985 175.0810 168 H 5.4115 8.6673 118.4179 53.9824 31.9253 173.1516 169 L 4.8669 8.7605 124.0968 54.5482 42.4179 176.4999 170 V 4.6249 8.4606 121.8560 60.6842 35.1628 173.4773 171 L 4.4257 8.1223 120.5147 54.2156 44.7559 173.5250 172 A 4.7618 8.2389 123.1705 50.1493 21.9107 175.4165 173 L 4.8387 8.2466 120.7913 53.0043 44.6138 177.2527 174 R 4.0105 8.7280 121.7329 59.1511 30.3649 177.5379 175 G 3.8814 7.8983 104.4634 45.9895 0.0000 173.3706 176 G 3.7382 8.2230 106.8208 46.2015 0.0000 173.5370 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 M 8.16 4.36 0.00 2.46 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 102 L 8.64 4.86 0.00 1.71 1.55 1.06 0.79 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 0.00 103 I 9.23 5.19 1.81 0.00 0.00 0.82 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 1.08 0.87 0.00 0.00 104 K 8.54 5.21 0.00 1.71 1.68 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 105 V 8.61 4.81 2.04 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 0.68 0.00 0.00 0.91 0.00 0.00 106 K 9.40 4.61 0.00 1.64 1.74 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.41 1.37 7.81 107 T 8.51 4.46 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 1.26 0.00 0.00 108 L 8.39 4.56 0.00 1.63 1.64 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.33 4.58 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 0.00 110 G 8.24 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 0.00 111 K 8.37 3.77 0.00 1.73 1.84 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 112 E 8.30 3.82 0.00 2.14 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 2.16 2.27 0.00 113 I 8.32 4.59 1.86 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 1.27 0.60 0.93 0.00 0.00 114 E 8.59 4.97 0.00 1.99 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 2.21 2.43 0.00 115 I 9.29 4.75 1.85 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 1.21 0.59 0.89 0.00 0.00 116 D 8.66 5.32 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.73 1.84 0.00 0.00 0.82 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 0.47 0.94 0.00 0.00 118 E 9.23 4.72 0.00 2.00 1.82 0.00 0.00 0.00 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 2.39 0.00 119 P 0.00 3.83 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 120 T 7.64 4.16 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 1.25 0.00 0.00 121 D 8.67 4.56 0.00 2.77 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 0.00 122 K 8.28 4.74 0.00 1.83 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 123 V 8.96 3.58 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 0.95 0.00 0.00 1.16 0.00 0.00 124 E 7.94 3.89 0.00 2.33 1.98 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 2.32 2.36 0.00 125 R 8.02 4.03 0.00 1.94 2.00 0.00 3.36 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 126 I 7.58 3.67 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.87 0.00 0.00 127 K 7.86 4.26 0.00 1.99 1.84 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.50 7.81 128 E 7.75 3.97 0.00 2.26 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 2.33 2.54 0.00 129 R 8.14 3.88 0.00 1.97 1.96 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 130 V 7.58 3.52 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 131 E 8.41 4.15 0.00 2.17 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 0.00 2.31 2.33 0.00 132 E 8.32 3.71 0.00 2.03 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 2.33 2.39 0.00 133 K 7.83 4.21 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.61 7.81 134 E 8.99 4.56 0.00 1.95 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 0.00 2.25 2.43 0.00 135 G 8.78 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 0.00 0.00 0.00 136 I 7.55 4.12 1.87 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 1.41 0.62 0.91 0.00 0.00 137 P 0.00 4.39 0.00 2.17 2.01 0.00 3.60 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 138 P 0.00 4.35 0.00 2.17 2.10 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.27 3.98 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.36 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 140 Q 7.88 4.51 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 141 Q 7.77 4.41 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 142 R 8.25 4.63 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.39 4.95 0.00 1.51 1.49 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.51 4.80 1.89 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 1.10 1.09 0.91 0.00 0.00 145 Y 8.81 4.80 0.00 2.94 2.76 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 0.00 0.00 0.00 0.00 146 S 9.15 3.51 0.00 3.88 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 0.00 147 G 8.05 4.34 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 0.00 148 K 7.76 4.06 0.00 2.11 1.97 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.74 7.81 149 Q 8.39 4.88 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 150 M 7.83 3.11 0.00 1.47 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.87 0.00 151 N 10.49 4.69 0.00 2.74 2.89 0.00 0.00 6.52 8.37 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 0.00 152 D 8.82 4.89 0.00 2.93 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 0.00 153 E 9.07 4.36 0.00 1.89 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 2.24 2.30 0.00 154 K 7.79 4.38 0.00 1.99 1.87 0.00 1.54 0.00 0.00 1.30 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.39 7.81 155 T 9.86 4.91 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 1.41 0.00 0.00 156 A 8.89 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.00 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 0.00 158 D 7.82 4.18 0.00 2.70 2.33 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 0.00 159 Y 7.46 4.59 0.00 2.95 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 0.00 160 K 8.59 3.91 0.00 2.04 1.99 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 161 I 7.70 3.71 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.25 0.69 0.00 0.00 162 L 8.79 4.38 0.00 1.67 1.54 0.95 0.72 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 0.00 163 G 9.18 3.83 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 0.00 0.00 0.00 164 G 8.86 3.68 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 0.00 165 S 7.67 4.29 0.00 3.87 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 0.00 166 V 8.63 4.94 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 0.74 0.00 0.00 1.02 0.00 0.00 167 L 9.11 5.05 0.00 1.55 1.54 0.82 0.69 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 0.00 168 H 8.67 5.41 0.00 3.14 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.76 4.87 0.00 1.64 1.59 0.92 1.00 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 0.00 170 V 8.46 4.62 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 0.66 0.00 0.00 0.93 0.00 0.00 171 L 8.12 4.43 0.00 1.56 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.24 4.76 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.25 4.84 0.00 1.59 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.73 4.01 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 175 G 7.90 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 0.00 0.00 0.00 176 G 8.22 3.74 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 0.00 0.00 0.00