NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2881 8.2649 123.5816 51.7968 20.8022 177.3455 3 K 3.9790 7.7956 114.1601 55.9337 31.8987 173.4775 4 H 3.8563 8.8957 115.4115 59.7384 29.8382 172.9966 5 P 4.2608 0.0000 0.0000 63.3517 31.7385 176.8600 6 V 4.3309 8.1563 122.8336 59.5074 33.8135 172.3020 7 P 4.3320 0.0000 0.0000 63.1390 31.2766 175.7520 8 K 4.4824 8.3860 117.9558 56.2635 33.3052 175.9577 9 K 4.5080 7.4639 115.5765 55.3567 35.9198 175.9529 10 K 3.9849 8.5213 123.8429 55.8599 30.9827 175.3444 11 T 3.8449 8.4867 117.7375 61.1362 68.1570 173.6832 12 S 4.0443 8.6197 120.8276 58.6028 63.5390 175.9468 13 K 3.8035 8.9790 122.4244 60.4447 31.6448 177.7849 14 A 4.1431 8.2311 121.1117 54.2590 18.2437 178.3540 15 R 3.9881 7.9924 117.9349 57.4359 30.7218 178.8700 16 R 3.9407 8.2493 119.0563 60.2905 30.0011 178.0423 17 D 4.3241 7.7563 116.4880 56.9215 40.7896 178.0630 18 A 4.1151 7.5021 120.5396 55.3570 18.3798 179.4321 19 R 3.9989 7.2581 113.8517 59.1221 31.6634 178.8501 20 R 3.9596 7.3224 117.5919 55.5501 26.3309 174.9808 21 S 4.4417 7.5417 115.2249 60.3167 65.4246 176.5940 22 H 4.7390 7.8995 116.0945 56.1489 28.3258 175.8829 23 H 4.4564 7.9312 116.0259 56.1084 29.5971 176.9004 24 A 4.4114 7.8992 126.3867 51.6825 17.3372 181.9498 25 L 4.9147 8.3511 123.8411 56.3034 44.3147 173.1982 26 T 4.1404 8.2804 118.5351 60.2848 66.8327 172.4060 27 P 4.2065 0.0000 0.0000 61.8315 31.7644 174.5333 28 P 4.1098 0.0000 0.0000 63.6254 30.9529 176.7232 29 T 4.2114 8.3602 114.2739 60.5054 67.5066 173.0974 30 L 4.7728 7.9633 128.1947 53.5574 44.3399 176.4730 31 V 4.5814 8.3714 114.5812 58.5386 36.0347 173.0440 32 P 4.2820 0.0000 0.0000 63.5084 32.1376 175.3726 33 C 4.3897 8.5358 125.7334 58.1590 32.6832 171.3254 34 P 4.8266 0.0000 0.0000 61.6551 29.7022 175.7219 35 E 5.9800 7.5787 135.0000 57.9977 29.7739 177.1403 36 C 4.9542 7.2998 111.2113 56.1112 32.6439 173.2337 37 K 4.3127 8.5897 118.3101 57.6267 32.3789 176.3866 38 A 4.8005 7.7922 120.2329 51.6570 22.3627 176.2660 39 M 5.0743 8.5283 118.5385 53.4700 34.3230 175.5251 40 K 4.8786 8.3807 121.7313 54.0889 37.1071 174.0650 41 P 4.7117 0.0000 0.0000 61.1572 32.2913 173.8380 42 P 4.4459 0.0000 0.0000 65.0708 31.2923 176.6137 43 H 4.4625 9.2932 119.4448 56.0588 26.3994 175.6379 44 T 4.1206 7.5517 116.1188 64.1561 69.7924 174.5371 45 V 4.3973 7.5510 116.2998 62.7586 32.2072 173.0374 46 C 4.4987 7.6226 116.5733 56.6029 31.5902 173.8239 47 P 4.6395 0.0000 0.0000 62.8813 29.9162 176.2831 48 E 4.6817 7.9179 112.6235 56.8035 30.4924 175.2101 49 C 4.3313 8.1125 115.2922 55.1351 27.8690 175.3115 50 G 4.1766 7.0069 110.5512 43.9772 0.0000 174.2361 51 Y 4.8656 8.1444 126.4156 54.8778 41.7976 173.3966 52 Y 4.2170 7.9313 122.0550 58.0037 37.9614 175.4345 53 A 3.7160 8.8753 127.2503 52.7790 16.2338 176.4578 54 G 4.0132 8.4769 108.8923 45.2439 0.0000 174.4033 55 R 3.7532 8.4042 124.6832 56.2285 30.4775 175.3565 56 K 4.6121 8.1739 123.2104 55.0281 35.2299 176.3848 57 V 3.3052 7.6607 119.9910 65.4984 32.2500 176.2327 58 L 4.4635 6.7225 117.8666 53.5977 45.7794 174.7948 59 E 5.0988 7.7686 114.4118 56.4106 30.4947 176.8323 60 V 3.9828 8.3346 123.0966 62.9013 31.9501 174.9585 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 4.29 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 7.80 3.98 0.00 1.80 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.51 7.81 4 H 8.90 3.86 0.00 3.13 3.20 0.00 5.73 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.26 0.00 2.05 2.05 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 6 V 8.16 4.33 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 0.74 0.00 0.00 0.93 0.00 0.00 7 P 0.00 4.33 0.00 2.19 2.13 0.00 3.72 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 2.00 1.98 0.00 8 K 8.39 4.48 0.00 1.71 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 9 K 7.46 4.51 0.00 1.73 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.52 3.98 0.00 1.71 1.77 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 11 T 8.49 3.84 4.24 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 1.21 0.00 0.00 12 S 8.62 4.04 0.00 4.01 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 13 K 8.98 3.80 0.00 1.81 1.94 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.54 7.81 14 A 8.23 4.14 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 15 R 7.99 3.99 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 16 R 8.25 3.94 0.00 2.14 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 17 D 7.76 4.32 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 4.12 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 19 R 7.26 4.00 0.00 1.87 2.08 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 20 R 7.32 3.96 0.00 1.82 1.72 0.00 3.10 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 21 S 7.54 4.44 0.00 3.84 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 7.90 4.74 0.00 3.24 3.33 0.00 5.61 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 23 H 7.93 4.46 0.00 3.04 3.34 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.90 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.35 4.91 0.00 1.71 1.63 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.28 4.14 4.24 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 1.21 0.00 0.00 27 P 0.00 4.21 0.00 2.08 2.00 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.11 0.00 2.17 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 29 T 8.36 4.21 4.24 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 1.27 0.00 0.00 30 L 7.96 4.77 0.00 1.65 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.37 4.58 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 0.83 0.00 0.00 1.00 0.00 0.00 32 P 0.00 4.28 0.00 1.94 2.06 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 2.05 2.12 0.00 33 C 8.54 4.39 0.00 3.10 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 34 P 0.00 4.83 0.00 2.22 2.09 0.00 4.01 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 35 E 7.58 5.98 0.00 2.11 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 2.11 2.02 0.00 36 C 7.30 4.95 0.00 3.09 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 37 K 8.59 4.31 0.00 1.89 1.94 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.79 4.80 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.53 5.07 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 40 K 8.38 4.88 0.00 1.92 1.89 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 41 P 0.00 4.71 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 42 P 0.00 4.45 0.00 1.97 2.09 0.00 3.68 0.00 0.00 3.73 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 43 H 9.29 4.46 0.00 3.30 3.58 0.00 5.72 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 44 T 7.55 4.12 4.24 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 1.18 0.00 0.00 45 V 7.55 4.40 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 0.51 0.00 0.00 0.08 0.00 0.00 46 C 7.62 4.50 0.00 3.11 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 47 P 0.00 4.64 0.00 2.20 2.17 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 48 E 7.92 4.68 0.00 1.93 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 2.20 2.21 0.00 49 C 8.11 4.33 0.00 3.17 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 50 G 7.01 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 0.00 0.00 0.00 51 Y 8.14 4.87 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 52 Y 7.93 4.22 0.00 3.01 2.91 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 0.00 0.00 0.00 53 A 8.88 3.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.48 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 55 R 8.40 3.75 0.00 1.75 1.86 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 56 K 8.17 4.61 0.00 1.84 1.83 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.56 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.54 7.81 57 V 7.66 3.31 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 58 L 6.72 4.46 0.00 1.60 1.54 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.77 5.10 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 60 V 8.33 3.98 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00