NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3633 8.2644 123.5827 51.5424 20.4666 177.2585 3 K 4.3394 7.4924 110.0587 56.3868 38.0238 172.0645 4 E 4.5100 8.7370 118.4256 54.8380 32.2164 174.6500 5 L 4.5181 7.9839 120.5958 54.1405 43.3771 177.8193 6 R 4.5851 7.9165 116.7599 54.0443 30.1966 174.7300 7 C 4.3880 8.1843 117.5383 56.7748 41.1760 174.5380 8 Q 3.9790 9.0415 121.5566 58.4588 28.6052 177.6820 9 C 4.9286 8.6732 114.9587 55.4148 43.2283 173.2254 10 I 4.1026 8.3893 125.5971 63.0245 37.8188 175.9745 11 K 4.2750 7.8185 119.0272 55.9260 32.8523 176.9838 12 T 4.7663 8.1777 113.9266 60.1981 71.3647 172.9197 13 Y 4.6365 8.1564 121.8727 57.1476 39.6975 175.2583 14 S 4.8911 7.5406 118.5713 57.4916 63.5013 175.1984 15 K 4.1147 7.8476 121.1676 55.2486 33.7997 174.2762 16 P 2.9700 0.0000 0.0000 62.1230 31.7904 176.2884 17 F 5.0188 7.8333 116.9434 55.6680 40.9022 172.7397 18 H 4.8642 9.0937 118.3275 54.0245 32.1105 173.9850 19 P 4.5308 0.0000 0.0000 64.5815 31.4106 178.0181 20 K 3.8886 8.3818 118.7720 58.6614 31.9526 176.4400 21 F 4.9919 8.1162 117.4114 57.1988 39.6262 174.5447 22 I 4.7275 8.4166 121.5654 59.6273 39.4012 175.5979 23 K 4.7006 8.4002 124.1501 56.5782 34.7492 176.3889 24 E 4.7169 7.8286 120.1747 54.3489 33.0731 173.6887 25 L 4.9045 8.6110 127.8981 53.4396 44.9723 175.4368 26 R 4.8175 9.0327 122.6190 54.5995 34.7979 174.4774 27 V 4.6892 8.3232 121.2857 61.4810 34.9882 174.0407 28 I 4.5211 8.3950 128.0809 59.3385 39.7988 175.1317 29 E 4.6464 9.1902 128.2340 54.5795 30.7511 175.9612 30 S 4.5353 8.0879 116.7676 58.6039 63.5084 174.1837 31 G 4.2284 9.1410 110.8843 43.7433 0.0000 170.9219 32 P 4.5466 0.0000 0.0000 64.0650 31.6249 176.1270 33 H 4.8793 8.1863 113.5448 55.4160 30.5805 173.8386 34 C 4.9286 7.9770 120.1274 55.0591 46.3663 173.5515 35 A 4.9227 8.5089 128.8378 51.9567 20.0930 176.3718 36 N 4.7650 7.5735 119.1000 54.3493 43.9143 173.6863 37 T 5.0243 8.6027 119.3985 62.6822 73.4479 172.8678 38 E 4.5843 8.8436 122.8887 54.6447 32.7553 175.0593 39 I 4.1280 8.4058 126.4365 60.3254 37.9032 175.3056 40 I 4.8104 8.3149 128.6037 60.5940 39.2795 175.5236 41 V 4.7071 8.3300 122.2456 60.3981 35.5290 173.8003 42 K 4.8737 9.0226 120.9300 54.4801 34.8587 175.9334 43 L 4.4830 9.0485 126.6960 54.2920 42.2869 178.4297 44 S 4.3981 8.4944 117.9162 61.6920 62.9085 175.5462 45 D 4.3884 8.2794 117.7452 54.5007 39.0373 176.5765 46 G 3.8641 8.7064 108.4429 46.1054 0.0000 173.3033 47 R 4.8139 7.9334 116.9875 53.7077 33.8527 175.0760 48 E 5.0119 8.6830 119.2444 55.0275 31.6931 175.0803 49 L 4.7343 8.2289 124.6867 53.0400 45.7394 174.6161 50 C 5.1784 8.4477 115.5365 55.7457 43.6531 174.3741 51 L 5.0780 8.6960 124.1006 53.3603 43.9960 175.5940 52 D 4.8059 8.1772 119.0300 51.6474 43.0425 174.6342 53 P 4.2710 0.0000 0.0000 64.4603 31.3471 177.1771 54 K 4.0078 8.3502 120.3346 58.1365 32.4364 176.0371 55 E 4.5323 7.6989 119.1499 54.7002 31.2658 176.4526 56 N 4.2437 8.7301 121.8888 56.4544 39.1090 177.1190 57 W 4.2977 8.0731 117.5740 59.3968 28.2374 178.3464 58 V 3.0537 6.2035 119.1654 65.5478 30.6968 177.6625 59 Q 3.9741 7.6346 118.5243 58.1827 28.7138 177.7987 60 R 3.9937 7.6076 119.5050 59.2653 30.4489 178.4151 61 V 3.5293 7.9291 112.1289 64.2098 31.5074 178.9820 62 V 3.6387 7.6412 117.6685 65.9594 31.5082 177.5738 63 E 3.9727 7.9489 118.9363 59.3059 29.2729 179.0612 64 K 3.9629 8.3298 118.6485 59.3304 32.1638 178.7971 65 F 4.1867 7.9261 120.9261 61.5024 39.1316 177.2203 66 L 3.7335 7.9308 118.0865 57.7874 41.4822 179.6532 67 K 3.8979 8.0708 118.3071 59.2647 31.8968 179.3699 68 R 3.8401 7.9870 118.8936 59.1371 29.9104 178.3696 69 A 3.8204 7.7875 119.6357 54.4892 18.2558 178.7953 70 E 4.0155 8.0780 117.8630 59.1161 29.9353 177.9244 71 N 4.4043 7.8617 116.0525 56.4080 39.0447 175.2973 72 S 4.3901 7.7604 120.4061 58.7586 63.0543 173.8427 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 2 A 8.26 4.36 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 3 K 7.49 4.34 0.00 1.68 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 E 8.74 4.51 0.00 1.97 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 2.24 2.37 0.00 5 L 7.98 4.52 0.00 1.61 1.63 0.92 0.82 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 6 R 7.92 4.59 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 7 C 8.18 4.39 0.00 2.95 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 8 Q 9.04 3.98 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 9 C 8.67 4.93 0.00 3.04 2.97 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 0.00 0.00 0.00 10 I 8.39 4.10 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.92 0.00 0.00 11 K 7.82 4.27 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 T 8.18 4.77 4.35 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 0.00 0.00 0.00 1.36 0.00 0.00 13 Y 8.16 4.64 0.00 3.06 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 14 S 7.54 4.89 0.00 3.92 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 15 K 7.85 4.11 0.00 1.15 1.79 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.25 7.81 16 P 0.00 2.97 0.00 1.61 0.99 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.00 17 F 7.83 5.02 0.00 3.25 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 18 H 9.09 4.86 0.00 3.30 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.53 0.00 2.27 2.25 0.00 3.39 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 20 K 8.38 3.89 0.00 1.31 0.86 0.00 1.37 0.00 0.00 1.17 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.55 1.13 7.81 21 F 8.12 4.99 0.00 3.18 2.97 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 0.00 0.00 0.00 22 I 8.42 4.73 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.25 0.00 0.00 23 K 8.40 4.70 0.00 1.57 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 24 E 7.83 4.72 0.00 2.00 1.70 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 2.24 2.31 0.00 25 L 8.61 4.90 0.00 1.31 1.60 0.75 0.98 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 26 R 9.03 4.82 0.00 1.73 1.73 0.00 3.11 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 27 V 8.32 4.69 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 0.75 0.00 0.00 0.95 0.00 0.00 28 I 8.39 4.52 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.12 1.03 0.00 0.00 29 E 9.19 4.65 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 2.29 2.15 0.00 30 S 8.09 4.54 0.00 3.96 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 31 G 9.14 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 0.00 0.00 0.00 0.00 32 P 0.00 4.55 0.00 2.19 2.19 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.19 4.88 0.00 3.50 3.51 0.00 5.41 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.98 4.93 0.00 2.33 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 35 A 8.51 4.92 1.25 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 0.00 0.00 0.00 36 N 7.57 4.76 0.00 2.66 2.53 0.00 0.00 6.75 7.04 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 37 T 8.60 5.02 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 1.20 0.00 0.00 38 E 8.84 4.58 0.00 2.04 2.03 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 2.17 2.44 0.00 39 I 8.41 4.13 1.85 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 1.33 0.77 0.97 0.00 0.00 40 I 8.31 4.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.97 0.00 0.00 41 V 8.33 4.71 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 0.77 0.00 0.00 0.89 0.00 0.00 42 K 9.02 4.87 0.00 1.65 1.70 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.50 7.81 43 L 9.05 4.48 0.00 1.58 1.75 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.49 4.40 0.00 3.89 4.09 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 45 D 8.28 4.39 0.00 2.76 2.83 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 46 G 8.71 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 0.00 0.00 0.00 47 R 7.93 4.81 0.00 1.86 1.74 0.00 3.02 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 48 E 8.68 5.01 0.00 1.90 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 2.13 2.22 0.00 49 L 8.23 4.73 0.00 1.44 1.46 0.78 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.45 5.18 0.00 2.87 2.97 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 0.00 0.00 0.00 51 L 8.70 5.08 0.00 1.54 1.60 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.18 4.81 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.27 0.00 2.15 2.10 0.00 3.78 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 54 K 8.35 4.01 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 55 E 7.70 4.53 0.00 1.16 1.43 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 2.22 2.21 0.00 56 N 8.73 4.24 0.00 2.83 2.86 0.00 0.00 7.02 7.98 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 57 W 8.07 4.30 0.00 3.62 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 58 V 6.20 3.05 1.56 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 0.72 0.00 0.00 -0.60 0.00 0.00 59 Q 7.63 3.97 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 60 R 7.61 3.99 0.00 1.95 2.02 0.00 3.28 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 61 V 7.93 3.53 1.75 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 0.92 0.00 0.00 0.93 0.00 0.00 62 V 7.64 3.64 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 0.99 0.00 0.00 0.91 0.00 0.00 63 E 7.95 3.97 0.00 2.23 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 2.31 2.41 0.00 64 K 8.33 3.96 0.00 2.07 1.84 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 65 F 7.93 4.19 0.00 3.06 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 66 L 7.93 3.73 0.00 1.92 1.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.07 3.90 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.62 7.81 68 R 7.99 3.84 0.00 1.98 1.75 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 69 A 7.79 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.08 4.02 0.00 1.96 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 2.26 2.26 0.00 71 N 7.86 4.40 0.00 2.76 2.84 0.00 0.00 7.26 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 72 S 7.76 4.39 0.00 3.99 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