NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9326 8.3544 109.7308 46.0359 0.0000 172.2072 2 S 4.1228 7.7805 113.2721 59.0889 64.7613 173.1152 3 S 4.2664 7.8425 117.4189 57.2320 61.7346 171.9966 4 G 4.2028 8.1195 117.2888 45.7348 0.0000 170.5846 5 S 4.6668 7.5831 115.3563 57.0031 64.9665 174.5959 6 S 4.1847 8.9418 120.8859 59.7406 62.7064 175.4037 7 G 4.1895 7.6283 103.1355 44.0721 0.0000 174.1085 8 S 4.3598 8.4320 113.1109 59.0275 63.0761 174.3407 9 K 4.7026 9.0607 124.1020 56.8410 34.5349 177.0931 10 V 4.6070 8.1912 117.2193 62.2004 32.0595 176.9744 11 W 4.8104 8.2771 120.6773 58.7013 31.8803 177.8419 12 K 3.7745 7.6565 117.0429 59.7699 31.0569 177.7701 13 Y 4.0191 7.7838 115.6232 60.2048 38.1149 175.0340 14 F 4.7535 7.5861 120.0280 55.2859 37.7602 173.3047 15 G 3.9230 7.9180 111.2993 43.0795 0.0000 170.5136 16 F 4.4694 8.3387 121.1832 56.1693 38.0448 175.7340 17 D 4.8171 8.3091 127.6161 52.3740 39.6593 175.2421 18 T 4.7439 7.8536 115.2110 59.9867 70.7059 173.2561 19 N 4.6120 8.2706 123.6544 52.6739 39.4056 173.3323 20 A 4.3628 8.5803 125.0035 51.2044 22.0126 176.2253 21 E 3.9271 9.1603 117.2810 59.8531 29.4685 179.2734 22 G 3.6422 8.2308 107.0770 46.8437 0.0000 173.3713 23 C 4.1340 8.2534 116.6627 60.1519 26.0779 174.3874 24 I 4.0466 7.7507 120.0226 63.5821 38.2991 177.0395 25 L 4.0887 8.3730 119.9335 59.0320 40.1554 178.5334 26 Q 4.0343 8.2374 116.5169 58.6535 28.5116 176.7239 27 W 4.2624 8.0652 117.5178 56.4286 29.7383 177.1510 28 K 4.4008 8.5867 120.1272 54.9905 29.9628 175.0501 29 K 4.7348 7.6861 120.4334 54.4462 35.5129 175.0733 30 I 5.0495 8.2310 127.4181 59.7911 41.4359 173.9785 31 Y 5.3596 8.2110 122.0633 55.6238 41.2443 174.2955 32 C 4.3941 9.3832 124.1135 58.8174 31.7959 174.1611 33 R 4.2872 8.2802 122.0063 59.3457 29.4384 178.9785 34 I 3.6616 7.8972 118.6721 64.1679 36.9823 177.1376 35 C 4.6599 7.9701 111.6284 58.1936 30.0148 173.2321 36 M 3.2236 7.6550 117.0385 57.3376 30.9183 175.7075 37 A 4.8739 8.3245 119.6196 50.4166 22.8782 176.6318 38 Q 5.0508 8.6034 117.6670 54.3400 29.9633 175.6692 39 I 4.5998 8.7356 124.3755 59.0927 40.4622 175.0850 40 A 4.3481 8.7403 129.2578 52.0895 19.1287 175.9339 41 Y 4.6813 8.6002 122.1020 57.0436 40.0669 174.8118 42 S 4.5937 7.7322 119.9035 55.6194 66.0241 173.7677 43 G 3.9230 8.3770 108.3731 48.5263 0.0000 172.5852 44 N 5.0747 7.2924 114.1276 51.6604 42.1422 173.2407 45 T 4.5225 8.2503 106.4967 62.8042 69.6260 177.6144 46 S 4.3984 8.1212 120.3737 62.9610 63.1262 175.6039 47 N 4.4759 8.0313 118.7209 55.8895 37.2547 177.0099 48 L 3.1071 7.8550 120.4767 57.7151 41.5312 179.7512 49 S 4.0631 7.5220 113.9673 61.6946 63.0630 175.3630 50 Y 4.0868 7.7234 124.3556 60.5674 38.3987 177.5189 51 H 3.4791 8.5044 119.1646 59.3850 29.6801 176.9232 52 L 3.8155 7.5188 120.4606 57.9503 41.3260 178.9734 53 E 2.7424 7.3562 117.9227 58.4031 29.2719 178.2749 54 K 4.1795 6.8972 116.3805 58.7349 33.4851 177.5481 55 N 4.4546 8.3007 116.5907 52.9408 39.0195 175.6320 56 H 4.7227 7.7439 127.6486 53.7516 29.8432 173.8366 57 P 4.4656 0.0000 0.0000 64.7553 31.2660 178.2219 58 E 4.1301 8.0424 118.8343 59.5064 29.7383 178.5615 59 E 4.0033 8.0715 118.1509 59.0723 29.5927 178.7322 60 F 4.0954 8.0673 120.6066 61.5314 39.1814 176.5744 61 C 3.9224 7.5552 115.3249 62.8053 31.4954 174.9204 62 E 4.0790 7.6940 118.6998 59.5691 29.1211 178.8796 63 F 4.4540 8.0854 119.4343 59.5806 40.9124 176.8892 64 V 3.8190 7.6347 119.8417 60.3320 29.2784 175.7980 65 K 4.2954 7.1900 119.9734 54.1943 31.9177 174.3726 66 S 4.4754 7.9757 115.9465 57.0519 63.5907 174.4338 67 N 4.7217 8.0353 125.9868 50.6510 37.2449 173.5868 68 S 4.4937 7.7170 116.9749 57.3696 66.9833 176.1462 69 G 3.9169 8.7360 110.6217 45.2330 0.0000 171.6006 70 P 4.3550 0.0000 0.0000 62.4296 32.0525 175.7887 71 S 4.8126 8.2051 115.2725 56.1561 64.8725 173.8175 72 S 4.1436 8.7303 121.0370 62.1118 62.7759 175.2337 73 G 4.0764 8.3029 111.6008 45.8168 0.0000 173.2842 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 G 8.35 3.93 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 0.00 0.00 0.00 2 S 7.78 4.12 0.00 3.80 3.77 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 3 S 7.84 4.27 0.00 3.85 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 4 G 8.12 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 5 S 7.58 4.67 0.00 3.84 3.79 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 6 S 8.94 4.18 0.00 3.86 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 7 G 7.63 4.19 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 0.00 8 S 8.43 4.36 0.00 4.22 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 9 K 9.06 4.70 0.00 2.01 2.15 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.61 7.81 10 V 8.19 4.61 2.27 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 0.66 0.00 0.00 0.53 0.00 0.00 11 W 8.28 4.81 0.00 3.42 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.77 0.00 1.03 1.56 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 13 Y 7.78 4.02 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.59 4.75 0.00 2.80 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 15 G 7.92 3.92 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 0.00 0.00 0.00 16 F 8.34 4.47 0.00 3.34 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 17 D 8.31 4.82 0.00 2.94 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 18 T 7.85 4.74 4.43 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 1.47 0.00 0.00 19 N 8.27 4.61 0.00 2.86 2.80 0.00 0.00 5.94 7.29 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 20 A 8.58 4.36 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 21 E 9.16 3.93 0.00 2.11 2.16 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 2.32 2.39 0.00 22 G 8.23 3.64 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 0.00 0.00 0.00 23 C 8.25 4.13 0.00 3.21 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 24 I 7.75 4.05 1.95 0.00 0.00 0.95 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 1.89 1.02 0.00 0.00 25 L 8.37 4.09 0.00 2.20 2.22 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.24 4.03 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.03 0.00 0.00 0.00 0.00 0.00 2.55 1.97 0.00 27 W 8.07 4.26 0.00 3.44 3.21 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 28 K 8.59 4.40 0.00 1.93 1.97 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.52 7.81 29 K 7.69 4.73 0.00 1.73 1.66 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.58 7.81 30 I 8.23 5.05 2.05 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.93 0.00 0.00 31 Y 8.21 5.36 0.00 3.16 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 32 C 9.38 4.39 0.00 3.22 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 33 R 8.28 4.29 0.00 2.19 2.31 0.00 2.81 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 34 I 7.90 3.66 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.45 0.68 0.00 0.00 35 C 7.97 4.66 0.00 3.13 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 36 M 7.65 3.22 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 37 A 8.32 4.87 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 38 Q 8.60 5.05 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 39 I 8.74 4.60 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.79 0.00 0.00 40 A 8.74 4.35 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 41 Y 8.60 4.68 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.73 4.59 0.00 3.82 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 43 G 8.38 3.92 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 0.00 0.00 0.00 44 N 7.29 5.07 0.00 2.62 2.73 0.00 0.00 6.86 7.54 0.00 0.00 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 T 8.25 4.52 4.16 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 1.34 0.00 0.00 46 S 8.12 4.40 0.00 3.86 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 47 N 8.03 4.48 0.00 2.76 2.89 0.00 0.00 7.13 6.60 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 48 L 7.86 3.11 0.00 1.55 1.29 -0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.52 4.06 0.00 4.66 4.16 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 50 Y 7.72 4.09 0.00 2.99 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 51 H 8.50 3.48 0.00 3.20 3.61 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.52 3.82 0.00 2.08 1.86 0.74 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.36 2.74 0.00 1.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 54 K 6.90 4.18 0.00 1.21 1.58 0.00 1.41 0.00 0.00 1.49 0.00 0.00 3.27 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.36 7.81 55 N 8.30 4.45 0.00 2.26 2.21 0.00 0.00 6.79 8.05 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 56 H 7.74 4.72 0.00 3.05 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.47 0.00 2.28 2.27 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 58 E 8.04 4.13 0.00 2.06 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 0.00 2.42 2.42 0.00 59 E 8.07 4.00 0.00 1.76 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 2.36 2.26 0.00 60 F 8.07 4.10 0.00 3.22 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 61 C 7.56 3.92 0.00 3.31 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 62 E 7.69 4.08 0.00 2.21 2.13 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 2.40 2.50 0.00 63 F 8.09 4.45 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 64 V 7.63 3.82 1.66 0.00 0.00 0.00 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 -0.51 0.00 0.00 65 K 7.19 4.30 0.00 1.64 1.66 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 66 S 7.98 4.48 0.00 3.77 3.72 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 67 N 8.04 4.72 0.00 2.69 2.73 0.00 0.00 6.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.72 4.49 0.00 3.78 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 69 G 8.74 3.92 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 0.00 0.00 0.00 70 P 0.00 4.36 0.00 2.20 2.07 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 71 S 8.21 4.81 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.14 0.00 3.91 3.97 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 73 G 8.30 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 0.00 0.00 0.00