NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 H 4.8024 8.4449 116.3277 55.1154 29.9262 173.6989 57 H 4.4573 7.8284 115.3463 54.5064 32.7641 171.9418 58 S 4.5850 9.3396 120.6737 57.6179 64.2503 173.2041 59 H 4.4817 8.7846 123.7206 57.4391 28.6449 175.4458 60 M 4.5665 7.4406 118.8539 53.5974 33.2086 177.4524 61 S 4.2191 8.7475 116.9134 60.3902 63.6482 173.7434 62 G 3.9553 6.9323 104.9484 45.9142 0.0000 171.6001 63 E 4.6678 8.2522 115.3534 54.5737 32.1085 174.8502 64 K 4.1322 8.4603 120.4654 56.6823 32.4887 177.4348 65 T 4.3792 8.5111 113.6448 62.0436 70.0010 175.1174 66 V 4.8014 7.4826 121.6738 59.5888 34.4469 174.8671 67 V 4.0983 8.9139 123.9592 62.8121 32.2221 175.8787 68 C 4.3119 9.2206 127.3206 58.9214 31.7661 174.6155 69 K 4.2520 8.5320 129.5065 60.3540 32.2079 178.7381 70 H 4.4045 8.0622 117.1536 58.4903 28.7469 177.2873 71 W 4.0230 8.3389 129.7694 60.4319 30.3337 177.7437 72 L 3.4599 7.8403 118.0144 56.8290 41.0014 178.7468 73 R 4.5111 7.1650 114.2347 55.0022 30.6369 176.2338 74 G 3.8734 7.5710 105.5717 46.9167 0.0000 174.7372 75 L 4.6640 8.5758 117.1996 53.9042 41.9667 175.8942 76 C 4.9341 8.0147 118.0674 57.7489 33.6488 173.6907 77 K 4.6235 8.5784 123.7368 56.2229 33.0067 177.7988 78 K 4.0640 8.2618 119.2054 56.9778 33.4390 178.3689 79 G 3.8373 7.5980 109.8532 46.3111 0.0000 176.1692 80 D 4.2828 8.7297 120.6326 57.1448 40.8237 177.1448 81 Q 4.1988 7.7521 115.8565 56.3203 27.6806 175.8695 82 C 4.3258 7.7722 119.7095 58.8330 32.1757 174.0569 83 E 3.9317 8.6140 125.2796 58.0999 29.4453 176.7747 84 F 4.8983 6.9339 114.6913 54.9472 41.5110 174.9926 85 L 4.0487 8.5522 124.7891 55.6500 42.5418 177.4973 86 H 3.5196 8.1304 124.2347 54.5929 28.8336 174.3587 87 E 4.4139 6.8815 116.2664 54.6367 33.6628 175.6971 88 Y 4.4629 8.8422 122.9288 56.9573 38.1318 174.5539 89 D 4.4981 7.8672 128.0412 51.8344 41.7093 176.2174 90 M 3.8701 7.9309 124.3598 57.0854 31.1177 177.2861 91 T 4.3384 7.9271 108.6090 61.8633 69.7242 175.1685 92 K 4.6195 8.2175 122.7280 56.4329 33.0537 175.5267 93 M 4.7658 7.9704 118.0993 55.0261 33.0899 176.5576 94 S 4.5769 8.8017 116.9286 57.7152 65.2885 172.5544 95 E 4.5527 8.5813 121.0606 55.9642 30.4840 175.7342 96 C 4.3200 9.2965 127.2997 59.1223 32.2373 173.5887 97 Y 3.8244 8.7396 128.3711 60.8454 38.2580 178.0930 98 F 4.4494 8.1580 118.1784 60.8672 39.1829 176.9577 99 Y 4.1427 8.2568 118.7562 60.4856 38.3748 177.9105 100 S 4.0208 7.9813 113.5371 61.3954 62.6929 175.9145 101 K 3.8674 7.8066 119.4822 57.8189 30.6697 178.2349 102 F 4.6759 8.5658 116.2849 56.0727 39.9030 176.9998 103 G 3.3721 8.5885 106.6222 45.0868 0.0000 172.8567 104 E 4.6608 7.0523 113.2659 55.8123 32.3893 174.5709 105 C 4.8102 8.4416 118.7605 58.2628 34.5418 174.0574 106 S 4.2599 8.6053 121.2424 59.3980 63.0945 173.6944 107 N 4.6745 7.9106 120.2926 51.8373 38.2777 175.2749 108 K 3.9567 8.7327 126.5277 58.9754 32.2868 177.8376 109 E 4.5872 8.3303 117.0844 55.7565 29.7543 175.4836 110 C 4.0904 8.1262 120.4203 59.5964 31.7051 171.8469 111 P 4.4610 0.0000 0.0000 63.2921 31.7939 175.7432 112 F 4.8651 7.5642 117.6070 56.3545 40.6291 175.5239 113 L 3.9947 8.7869 121.6692 55.7694 42.5644 176.2080 114 H 4.7446 8.7419 121.2939 54.0997 29.2700 172.8334 115 I 4.3632 8.1503 123.4088 59.4062 38.3863 176.0162 116 D 4.7129 8.6234 125.4781 52.9652 41.5393 174.3228 117 P 4.1594 0.0000 0.0000 63.2384 31.5381 176.2143 118 E 4.1660 8.7349 123.1461 56.3090 29.5842 175.8047 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 56 H 8.44 4.80 0.00 3.27 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.83 4.46 0.00 3.09 3.11 0.00 5.69 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 58 S 9.34 4.58 0.00 3.82 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 59 H 8.78 4.48 0.00 3.18 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.44 4.57 0.00 2.37 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 61 S 8.75 4.22 0.00 3.96 3.99 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 62 G 6.93 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 0.00 0.00 0.00 63 E 8.25 4.67 0.00 2.02 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 0.00 2.17 2.32 0.00 64 K 8.46 4.13 0.00 1.74 1.80 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 65 T 8.51 4.38 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 66 V 7.48 4.80 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 1.18 0.00 0.00 1.00 0.00 0.00 67 V 8.91 4.10 2.20 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 1.15 0.00 0.00 1.07 0.00 0.00 68 C 9.22 4.31 0.00 3.31 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 69 K 8.53 4.25 0.00 2.13 2.21 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.30 7.81 70 H 8.06 4.40 0.00 3.33 3.59 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 8.34 4.02 0.00 3.13 3.41 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 72 L 7.84 3.46 0.00 1.95 1.65 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.16 4.51 0.00 1.81 1.89 0.00 3.36 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 74 G 7.57 3.87 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 0.00 0.00 0.00 75 L 8.58 4.66 0.00 1.75 1.66 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.01 4.93 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 77 K 8.58 4.62 0.00 1.85 1.83 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 78 K 8.26 4.06 0.00 1.89 1.93 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.52 7.81 79 G 7.60 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.73 4.28 0.00 2.63 2.70 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 0.00 0.00 0.00 81 Q 7.75 4.20 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 82 C 7.77 4.33 0.00 2.98 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 83 E 8.61 3.93 0.00 1.69 1.30 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 1.47 1.96 0.00 84 F 6.93 4.90 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 85 L 8.55 4.05 0.00 1.74 1.54 0.83 1.09 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 86 H 8.13 3.52 0.00 2.61 2.04 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 6.88 4.41 0.00 1.78 1.77 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 2.02 2.15 0.00 88 Y 8.84 4.46 0.00 3.14 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 89 D 7.87 4.50 0.00 2.57 2.39 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 90 M 7.93 3.87 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 91 T 7.93 4.34 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 1.16 0.00 0.00 92 K 8.22 4.62 0.00 1.70 1.94 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.41 7.81 93 M 7.97 4.77 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 94 S 8.80 4.58 0.00 3.91 4.02 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 0.00 0.00 0.00 95 E 8.58 4.55 0.00 2.06 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 2.56 0.00 96 C 9.30 4.32 0.00 3.30 3.20 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 97 Y 8.74 3.82 0.00 2.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 4.45 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 4.14 0.00 3.02 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.02 0.00 4.12 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 0.00 101 K 7.81 3.87 0.00 1.34 1.26 0.00 1.37 0.00 0.00 1.31 0.00 0.00 2.40 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.49 0.29 7.81 102 F 8.57 4.68 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 3.37 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 0.00 104 E 7.05 4.66 0.00 2.04 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 2.33 2.20 0.00 105 C 8.44 4.81 0.00 3.12 2.93 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 0.00 0.00 0.00 106 S 8.61 4.26 0.00 3.81 3.84 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 0.00 0.00 0.00 0.00 107 N 7.91 4.67 0.00 2.76 2.80 0.00 0.00 7.19 6.75 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 0.00 108 K 8.73 3.96 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 109 E 8.33 4.59 0.00 2.04 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 2.23 2.24 0.00 110 C 8.13 4.09 0.00 3.16 2.89 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 0.00 111 P 0.00 4.46 0.00 1.95 2.00 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.60 0.00 112 F 7.56 4.87 0.00 3.09 3.27 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 0.00 113 L 8.79 3.99 0.00 1.69 1.63 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.74 4.74 0.00 2.48 1.44 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.15 4.36 2.12 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 1.44 0.58 0.96 0.00 0.00 116 D 8.62 4.71 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 4.16 0.00 2.03 2.02 0.00 3.69 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 2.00 2.06 0.00 118 E 8.73 4.17 0.00 1.94 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 2.27 2.31 0.00