NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.5702 8.2993 120.1399 56.8691 34.4306 173.8380 2 K 4.6402 8.7738 119.8757 54.9431 36.5335 172.9455 3 N 5.1388 9.3726 116.7828 50.7357 42.3056 175.8401 4 G 3.4517 6.5668 108.5750 46.1350 0.0000 171.0431 5 Y 4.9443 7.7883 117.0080 56.4237 38.3609 175.5146 6 A 4.2471 8.2913 126.8853 51.8172 19.0578 176.7491 7 V 4.6258 7.9394 114.5800 59.5091 35.1212 176.8864 8 D 4.9635 8.7629 123.2896 52.9420 41.2585 176.8624 9 S 4.2163 8.6655 112.2221 61.4433 63.2794 174.7228 10 S 4.2917 8.6538 114.3427 58.5065 62.2909 174.6240 11 G 4.0067 8.0264 107.7202 45.7284 0.0000 174.2023 12 K 4.1924 7.9309 119.2580 56.1816 32.9093 176.5533 13 V 4.6115 7.9446 114.6308 59.5781 33.9974 175.1292 14 A 4.5193 8.2372 123.3696 51.5324 19.6686 176.9066 15 E 4.7923 8.8583 122.6655 56.3654 30.7887 174.5412 16 C 4.8677 9.0952 116.3667 54.7814 45.3337 174.1623 17 L 4.2052 8.5756 117.4441 53.9426 44.1539 176.7187 18 F 4.9963 7.9080 116.0714 54.8291 43.4131 175.4585 19 N 4.6734 9.0073 120.1539 56.7077 38.6590 177.1253 20 N 4.3934 8.4477 117.9013 56.9343 39.0020 175.9913 21 Y 4.1427 8.2060 120.4054 61.0622 38.8993 178.7080 22 C 4.2730 8.0392 116.5494 59.7697 37.2594 175.5514 23 N 4.2218 8.2999 118.8922 56.3771 38.4329 176.9007 24 N 4.2595 8.0137 117.8671 56.1446 38.5794 177.0896 25 E 3.7684 7.7373 119.8345 59.6367 29.5078 178.6737 26 C 4.4169 8.3720 116.8120 60.3324 34.4585 176.5101 27 T 4.1884 7.7191 112.3408 64.3157 68.5058 177.1547 28 K 3.7522 8.1245 120.8094 57.8117 32.1041 178.0803 29 V 3.6802 7.5578 117.4332 63.0940 32.5568 175.7021 30 Y 4.7651 7.3872 113.4990 56.8824 38.9270 174.5937 31 Y 3.8597 7.6024 115.0678 57.9080 35.2608 170.0341 32 A 4.5661 7.9539 120.6288 51.1112 20.9011 179.5325 33 D 4.4037 8.6716 118.8441 57.4633 41.3140 176.9456 34 K 4.6379 7.6133 114.9642 56.1826 36.9526 174.4974 35 G 4.6028 8.5668 105.3113 46.6887 0.0000 172.1773 36 Y 5.2416 8.7815 118.7977 55.8246 42.3542 173.4189 37 C 4.6838 9.5600 121.2893 55.7959 38.6572 171.3064 38 C 4.4377 8.5777 126.6328 55.1569 43.8345 173.8229 39 L 3.5558 9.2466 128.8700 56.1298 38.8118 175.3219 40 L 3.9693 7.9689 113.2160 54.9704 39.6440 174.2653 41 K 5.0676 7.5708 117.7453 54.4757 36.1107 174.9417 42 C 4.9216 9.1965 121.1887 57.2225 42.5138 171.9099 43 Y 4.6180 9.1841 126.5062 55.9827 40.4634 173.5694 44 C 5.2132 8.0965 123.9878 55.2407 38.6441 172.5732 45 F 5.0719 9.1734 121.8761 56.3546 41.0451 176.5228 46 G 3.7626 9.2204 111.8662 46.4094 0.0000 173.8290 47 L 4.1872 8.2776 119.1948 53.9039 42.4669 176.6488 48 A 4.5286 8.2745 122.8325 51.7168 19.1178 178.5983 49 D 4.4067 8.7850 121.3900 57.0840 41.0156 177.7995 50 D 4.5737 7.9294 116.5889 54.3064 40.2403 177.0629 51 K 4.0624 7.9247 120.7083 55.9822 32.7167 174.5756 52 P 4.5541 0.0000 0.0000 62.4110 32.3422 175.7811 53 V 4.9129 8.1356 116.7627 59.0530 35.3823 175.4848 54 L 4.1064 8.6184 122.5786 54.9938 42.3725 177.4708 55 D 4.5643 8.6982 122.4505 53.2923 40.2142 175.2516 56 I 4.5532 7.8206 118.8344 57.8450 40.7861 176.0303 57 W 4.6302 8.1231 120.0575 56.7910 30.7553 177.4123 58 D 4.5056 8.8980 121.9601 57.3140 40.3211 179.3534 59 S 4.2215 8.2294 114.7323 61.7903 63.0373 176.5759 60 T 3.9199 8.0839 119.0513 66.1088 68.3096 175.9839 61 K 3.8719 8.3436 121.5855 60.0961 31.9819 178.4211 62 N 4.4271 8.4276 115.7473 56.3060 38.4918 176.6196 63 Y 4.1973 8.0529 120.9929 61.1379 38.7840 177.6997 64 C 4.5974 8.2033 117.3837 59.2883 40.1222 175.5664 65 D 4.8075 7.9094 120.0556 56.3831 41.6685 178.0269 66 V 3.9628 6.9917 118.4934 60.7554 29.1019 174.4079 67 Q 4.3496 7.0520 120.7950 53.8694 32.5691 173.8889 68 I 4.2920 7.8383 122.4746 59.7133 39.7950 175.3642 69 I 3.9935 8.1317 126.7668 63.1799 37.7942 175.5259 70 D 4.3894 7.2870 115.5656 53.1717 41.6582 175.9438 71 L 4.5450 8.1287 120.9151 52.4889 40.6125 177.0902 72 S 4.1661 8.2897 116.6314 58.8692 62.8768 175.3202 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 1 K 8.30 4.57 0.00 1.84 1.89 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 2 K 8.77 4.64 0.00 1.78 1.92 0.00 1.22 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.42 7.81 3 N 9.37 5.14 0.00 2.56 2.44 0.00 0.00 6.71 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 4 G 6.57 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 0.00 0.00 0.00 5 Y 7.79 4.94 0.00 2.87 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 6 A 8.29 4.25 0.23 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 0.00 0.00 0.00 7 V 7.94 4.63 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 0.76 0.00 0.00 0.91 0.00 0.00 8 D 8.76 4.96 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.67 4.22 0.00 4.03 4.08 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 10 S 8.65 4.29 0.00 3.82 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 11 G 8.03 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 12 K 7.93 4.19 0.00 2.02 1.74 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.46 7.81 13 V 7.94 4.61 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 0.66 0.00 0.00 0.79 0.00 0.00 14 A 8.24 4.52 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.86 4.79 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 16 C 9.10 4.87 0.00 3.06 3.39 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 17 L 8.58 4.21 0.00 1.50 1.41 0.81 0.61 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 18 F 7.91 5.00 0.00 3.19 2.96 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 19 N 9.01 4.67 0.00 2.91 3.09 0.00 0.00 6.73 6.92 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 20 N 8.45 4.39 0.00 2.84 2.92 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.21 4.14 0.00 3.20 3.30 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 22 C 8.04 4.27 0.00 3.48 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 23 N 8.30 4.22 0.00 3.04 2.86 0.00 0.00 7.12 6.03 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 24 N 8.01 4.26 0.00 2.83 2.75 0.00 0.00 6.92 7.08 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 25 E 7.74 3.77 0.00 1.97 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 1.66 2.03 0.00 26 C 8.37 4.42 0.00 3.05 3.19 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 27 T 7.72 4.19 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 1.33 0.00 0.00 28 K 8.12 3.75 0.00 1.74 1.72 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.34 7.81 29 V 7.56 3.68 1.59 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 0.03 0.00 0.00 0.71 0.00 0.00 30 Y 7.39 4.77 0.00 3.17 2.96 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 31 Y 7.60 3.86 0.00 3.11 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 32 A 7.95 4.57 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 33 D 8.67 4.40 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 34 K 7.61 4.64 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.51 7.81 35 G 8.57 4.60 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 0.00 0.00 0.00 36 Y 8.78 5.24 0.00 3.27 3.07 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 37 C 9.56 4.68 0.00 3.25 3.26 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 0.00 38 C 8.58 4.44 0.00 1.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.25 3.56 0.00 1.88 1.68 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.97 3.97 0.00 1.81 1.73 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.57 5.07 0.00 1.17 1.34 0.00 0.73 0.00 0.00 0.76 0.00 0.00 2.48 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.08 1.12 7.81 42 C 9.20 4.92 0.00 2.96 3.07 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 43 Y 9.18 4.62 0.00 2.54 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 44 C 8.10 5.21 0.00 2.62 2.84 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 45 F 9.17 5.07 0.00 3.08 2.94 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 46 G 9.22 3.76 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 0.00 0.00 0.00 47 L 8.28 4.19 0.00 1.76 1.59 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.27 4.53 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 49 D 8.79 4.41 0.00 2.68 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 50 D 7.93 4.57 0.00 2.78 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 51 K 7.92 4.06 0.00 1.87 1.78 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.46 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.65 7.81 52 P 0.00 4.55 0.00 2.06 1.97 0.00 3.56 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 V 8.14 4.91 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 0.59 0.00 0.00 0.90 0.00 0.00 54 L 8.62 4.11 0.00 1.66 1.65 0.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.70 4.56 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.82 4.55 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 1.06 0.00 0.00 57 W 8.12 4.63 0.00 3.47 3.02 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 58 D 8.90 4.51 0.00 2.75 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 59 S 8.23 4.22 0.00 4.16 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 0.00 60 T 8.08 3.92 4.47 0.00 0.00 0.00 0.00 0.00 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 61 K 8.34 3.87 0.00 1.97 2.02 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.65 7.81 62 N 8.43 4.43 0.00 2.79 2.94 0.00 0.00 7.11 7.92 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 63 Y 8.05 4.20 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.20 4.60 0.00 1.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.91 4.81 0.00 2.91 2.88 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 66 V 6.99 3.96 1.96 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 0.73 0.00 0.00 0.98 0.00 0.00 67 Q 7.05 4.35 0.00 1.64 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 68 I 7.84 4.29 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.81 0.00 0.00 69 I 8.13 3.99 1.80 0.00 0.00 1.10 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 0.32 0.94 0.00 0.00 70 D 7.29 4.39 0.00 2.70 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 71 L 8.13 4.54 0.00 1.62 1.63 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.29 4.17 0.00 3.96 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