NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 72 K 4.2094 8.3144 120.1339 56.6470 32.3066 174.0220 73 K 4.4809 7.4355 124.8538 51.4575 35.9118 173.7299 74 K 4.2326 8.9836 123.2098 55.7773 33.6430 177.0020 75 K 4.2399 8.3450 121.3911 56.3595 32.8026 176.1212 76 K 4.5319 7.8351 119.9428 55.1794 34.4960 174.7748 77 K 4.0937 7.8813 116.8516 58.0796 34.5571 174.3453 78 K 3.9402 8.3495 117.5262 56.8009 32.4805 174.7940 79 S 4.6042 8.2049 120.0570 56.6395 63.0435 172.6584 80 Y 4.4169 8.6558 125.6499 56.7732 38.8734 176.2879 81 T 4.0934 8.3526 120.7970 64.1003 69.1617 174.8164 82 T 4.1368 8.4022 121.1002 66.0093 68.8511 176.5732 83 K 4.0837 7.9584 120.9980 59.6164 32.9864 179.0083 84 K 3.8923 8.2356 121.3837 56.6108 33.8606 179.6735 85 K 3.6516 7.7845 114.4177 57.8790 34.3473 177.1119 86 T 4.6815 8.5261 113.7621 62.5311 72.7048 172.3154 87 K 4.6402 8.1469 120.5018 55.4592 35.9286 176.2663 88 H 4.6812 8.9411 118.7068 55.0332 29.8562 174.5356 89 R 4.6258 7.9693 118.5617 54.2236 32.4921 176.1486 90 H 4.2690 8.5555 117.1788 56.4581 29.4381 176.0222 91 V 4.3685 7.7855 120.6872 60.3789 31.1488 173.9149 92 H 4.1359 7.9883 121.1556 55.9684 31.0842 174.0645 93 T 4.5499 8.0598 120.2043 62.0723 72.4008 173.4648 94 K 4.4813 8.3958 124.8321 54.6915 34.0845 176.1413 95 L 4.5072 8.3325 122.0899 53.3998 43.1870 177.4905 96 G 3.5708 8.4730 116.0867 46.4839 0.0000 170.5652 97 A 4.4109 8.3178 124.9380 51.0165 20.5826 176.7174 98 L 4.5568 8.1613 117.0416 53.4628 43.4223 176.8336 99 A 4.6123 8.3016 127.9963 51.0931 17.7528 176.6303 100 F 4.2557 8.8852 119.2127 59.1043 40.2296 174.4807 101 Y 5.2352 8.4071 115.6632 56.2566 40.1041 175.0248 102 K 4.7730 8.9526 119.4597 54.7430 36.5369 175.6203 103 L 4.8371 8.6261 123.1247 53.4993 43.2188 175.5106 104 E 4.4496 8.6588 124.1510 55.0598 31.9608 176.3291 105 N 4.0947 8.7396 120.6283 54.4817 37.5625 173.7988 106 N 4.2440 8.2189 109.9926 53.5643 36.2386 175.1985 107 G 4.1518 8.0747 107.7367 44.6320 0.0000 173.4319 108 K 4.7912 8.0030 117.9355 54.4534 36.2346 175.3599 109 V 4.7802 8.3917 121.1301 61.3188 34.2010 174.5127 110 S 4.9559 10.1861 120.9197 56.6321 65.6830 172.4640 111 L 4.5865 8.4212 122.6824 53.6617 43.1060 175.0113 112 Q 4.3177 8.2628 120.2697 58.3056 29.6389 178.9265 113 Q 4.3710 7.8621 121.9392 55.5996 30.7105 175.0857 114 K 4.5704 8.6627 119.9151 55.6711 35.5090 176.2990 115 G 4.2031 8.1939 110.1690 43.8860 0.0000 172.6564 116 C 4.0754 8.2252 124.5936 59.5281 32.1521 172.6485 117 P 4.1274 0.0000 0.0000 65.8843 30.5183 177.4360 118 K 3.6593 7.3667 117.8082 57.8264 32.8605 177.3476 119 C 4.4649 7.7632 122.0504 59.2551 27.7454 174.4052 120 G 4.5302 7.7049 106.0074 44.0069 0.0000 172.5695 121 P 4.6378 0.0000 0.0000 60.3238 30.5373 177.5711 122 G 4.7054 7.3116 121.8030 47.4065 0.0000 173.0272 123 I 4.5637 6.9462 122.3900 59.7907 39.2565 174.6231 124 F 4.9344 9.1827 124.9894 56.3184 40.7645 175.4388 125 M 4.5447 8.7867 122.0028 54.7026 33.4833 175.8926 126 A 4.4243 10.3537 124.5421 51.5977 19.9576 176.7064 127 K 4.6825 8.6866 123.1671 55.7842 33.2431 176.6455 128 H 4.5643 9.0536 128.3797 55.8157 30.9541 174.7944 129 Y 4.3139 7.9316 116.1661 57.9634 38.1733 174.8029 130 D 4.4171 6.6716 118.5680 53.3760 43.7854 175.6781 131 R 4.8449 7.2812 119.2039 54.7760 34.3741 173.9109 132 H 5.3105 9.6961 120.6310 54.6281 30.4251 173.4072 133 Y 5.3556 9.3535 124.8588 54.9589 42.3283 173.8554 134 C 4.5756 7.4829 124.5960 57.2348 33.3479 174.5748 135 G 3.7131 8.6353 116.4500 47.8280 0.0000 172.2217 136 K 4.2172 6.9077 117.3022 57.8824 34.0140 176.3723 137 C 4.2272 7.8917 114.3985 59.2349 30.2188 174.5357 138 H 4.1004 8.1125 115.8778 56.2727 26.6648 174.3281 139 L 4.0477 7.4677 121.9322 56.2477 42.7890 175.8594 140 T 5.8117 8.5045 122.0249 61.1868 70.8505 173.4738 141 L 4.9288 8.1936 124.3009 53.4088 46.5956 174.9841 142 K 4.4516 8.2792 118.9712 56.1788 34.9454 174.1728 143 I 4.5064 8.2389 125.5745 59.2343 39.3556 175.6736 144 D 4.5386 8.6615 122.6249 54.8238 40.5935 176.3638 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 72 K 8.31 4.21 0.00 1.74 1.87 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 73 K 7.44 4.48 0.00 1.82 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 74 K 8.98 4.23 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81 75 K 8.35 4.24 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 76 K 7.84 4.53 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 77 K 7.88 4.09 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.19 7.81 78 K 8.35 3.94 0.00 2.11 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.59 7.81 79 S 8.20 4.60 0.00 3.81 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 80 Y 8.66 4.42 0.00 2.95 2.92 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 0.00 0.00 0.00 81 T 8.35 4.09 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 1.22 0.00 0.00 82 T 8.40 4.14 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 1.22 0.00 0.00 83 K 7.96 4.08 0.00 1.94 2.06 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 84 K 8.24 3.89 0.00 1.74 1.95 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.56 7.81 85 K 7.78 3.65 0.00 1.96 1.39 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.40 7.81 86 T 8.53 4.68 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 1.21 0.00 0.00 87 K 8.15 4.64 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 88 H 8.94 4.68 0.00 3.25 3.26 0.00 5.49 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.97 4.63 0.00 1.80 1.86 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 90 H 8.56 4.27 0.00 3.15 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.79 4.37 2.11 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 0.82 0.00 0.00 1.00 0.00 0.00 92 H 7.99 4.14 0.00 3.10 3.25 0.00 5.96 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 93 T 8.06 4.55 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 1.19 0.00 0.00 94 K 8.40 4.48 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.39 7.81 95 L 8.33 4.51 0.00 1.59 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.47 3.57 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 0.00 0.00 0.00 97 A 8.32 4.41 1.28 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 0.00 0.00 0.00 98 L 8.16 4.56 0.00 1.75 2.10 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.30 4.61 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 0.00 100 F 8.89 4.26 0.00 2.65 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 0.00 101 Y 8.41 5.24 0.00 2.83 3.09 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 0.00 0.00 0.00 102 K 8.95 4.77 0.00 1.69 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.55 7.81 103 L 8.63 4.84 0.00 1.54 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.66 4.45 0.00 1.93 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 2.26 2.26 0.00 105 N 8.74 4.09 0.00 2.97 2.84 0.00 0.00 7.44 6.71 0.00 0.00 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 N 8.22 4.24 0.00 2.83 2.98 0.00 0.00 6.78 7.65 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 0.00 108 K 8.00 4.79 0.00 1.81 1.68 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 109 V 8.39 4.78 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 0.96 0.00 0.00 0.94 0.00 0.00 110 S 10.19 4.96 0.00 4.12 3.86 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 0.00 111 L 8.42 4.59 0.00 1.53 1.52 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.26 4.32 0.00 2.37 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 113 Q 7.86 4.37 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.60 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 114 K 8.66 4.57 0.00 1.79 1.57 0.00 1.43 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.34 7.81 115 G 8.19 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 0.00 0.00 0.00 0.00 116 C 8.23 4.08 0.00 3.00 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 0.00 117 P 0.00 4.13 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 118 K 7.37 3.66 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 119 C 7.76 4.46 0.00 2.91 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 0.00 120 G 7.70 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.64 0.00 2.16 2.12 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 122 G 7.31 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.95 4.56 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 0.91 0.00 0.00 124 F 9.18 4.93 0.00 2.78 3.15 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 0.00 125 M 8.79 4.54 0.00 2.02 2.00 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 2.68 2.44 0.00 126 A 10.35 4.42 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 0.00 127 K 8.69 4.68 0.00 1.77 1.81 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.56 7.81 128 H 9.05 4.56 0.00 3.18 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.93 4.31 0.00 3.02 2.98 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 0.00 130 D 6.67 4.42 0.00 2.54 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.28 4.84 0.00 1.60 1.76 0.00 3.23 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 132 H 9.70 5.31 0.00 3.14 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 9.35 5.36 0.00 2.89 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 0.00 134 C 7.48 4.58 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.64 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.91 4.22 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.35 7.81 137 C 7.89 4.23 0.00 3.09 3.15 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 0.00 138 H 8.11 4.10 0.00 3.35 3.65 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.47 4.05 0.00 1.76 1.55 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.50 5.81 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 1.22 0.00 0.00 141 L 8.19 4.93 0.00 1.59 1.51 0.91 0.81 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 0.00 142 K 8.28 4.45 0.00 1.74 1.60 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.52 7.81 143 I 8.24 4.51 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.92 0.00 0.00 144 D 8.66 4.54 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00