NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2118 8.1727 121.7900 56.3154 33.9264 176.8952 3 L 3.8196 7.4036 120.9147 55.4590 42.0268 176.7587 4 S 3.8192 8.2509 113.7263 61.9183 63.1272 175.5402 5 E 3.9129 7.6786 119.8876 59.1879 29.1039 179.2755 6 V 3.5262 8.6634 119.3648 66.0321 31.7712 178.1164 7 R 3.4479 8.1086 115.3131 59.4480 28.9637 178.5515 8 K 4.1170 7.9481 118.6724 58.9256 31.6640 179.0512 9 Q 3.9177 7.9263 119.9206 59.2261 29.1149 178.2549 10 L 4.0155 8.7665 120.9526 57.7203 41.4718 178.9765 11 E 3.9055 8.2349 118.4204 59.3280 29.5802 178.3952 12 E 4.0213 7.8702 117.1964 59.3745 29.9173 178.1142 13 A 4.1333 7.9716 119.6089 54.8706 19.6940 179.2478 14 R 4.3019 8.3015 117.4190 53.3452 27.7713 177.3145 15 K 5.2904 6.6102 132.5577 57.9244 33.4536 175.5276 16 L 4.5880 6.8467 114.8455 53.6015 44.7078 173.4691 17 S 3.6796 7.5713 121.5749 57.3741 63.0070 169.8422 18 P 3.6895 0.0000 0.0000 64.9573 31.1307 177.8331 19 V 3.7725 7.9528 120.7239 65.5552 31.6082 178.2136 20 E 3.9763 8.3217 118.8684 59.0115 29.5311 178.0971 21 L 3.9415 7.9391 118.4450 58.0298 41.2054 178.8511 22 E 3.9360 8.3113 118.1928 59.7573 29.3970 179.7603 23 K 3.8960 7.6992 117.6991 59.4609 32.0999 178.7510 24 L 4.0385 8.0500 120.4564 58.4660 41.8608 178.7658 25 V 3.5463 8.1222 118.0781 67.5262 31.2966 177.6833 26 R 3.5913 8.2922 114.0456 59.3521 29.8579 178.4270 27 E 3.8399 8.3135 118.0370 60.0654 29.9956 179.8785 28 K 3.9212 8.4185 118.2070 59.7698 32.1590 179.6008 29 K 4.0386 8.7720 119.6597 59.2537 31.9304 179.6334 30 R 3.9083 8.2605 116.8624 59.2978 29.3027 178.6080 31 E 3.9040 8.5579 119.9428 59.1134 29.5236 178.9862 32 L 3.9396 7.9334 120.1581 58.6266 42.1842 178.8052 33 M 4.3822 8.0884 117.9623 58.1911 31.9034 177.7320 34 E 3.9164 8.4165 119.4808 59.2450 30.0137 178.6864 35 L 4.1482 8.3160 119.0958 58.1212 41.8440 179.4298 36 R 3.5467 8.5641 118.2754 59.7607 29.5409 178.7448 37 F 4.5464 8.4381 117.6199 58.9265 38.7823 177.1244 38 Q 3.9931 8.8406 117.2739 57.1094 29.1047 177.1769 39 A 4.2493 7.9112 120.7867 54.0898 19.0391 179.3179 40 S 4.1947 7.8319 113.2468 61.2073 63.0892 175.9145 41 I 4.3326 7.4284 115.5800 60.9302 39.4108 180.9995 42 G 3.6639 8.8752 108.2255 47.4162 0.0000 172.9693 43 Q 3.9133 5.7400 124.9789 55.1716 29.1654 176.8474 44 L 5.0417 7.8935 133.5939 56.0800 44.1483 174.5389 45 S 4.5615 7.8154 111.2726 57.6288 63.4743 173.4659 46 Q 4.5055 8.0725 119.0595 57.9232 29.6914 177.8046 47 N 3.7266 8.9570 120.3888 54.5262 40.4111 177.6752 48 H 3.8076 8.8019 128.6264 58.7802 29.6024 175.6477 49 K 3.8565 7.5862 123.2394 57.7710 31.7405 178.4148 50 I 3.6659 8.3721 119.9115 64.2035 38.1838 177.8809 51 R 4.0475 7.8954 116.0534 58.7326 28.9117 178.1721 52 D 4.3464 8.1806 120.3407 57.4326 40.7964 178.6690 53 L 4.0163 7.4132 118.8863 57.7302 41.6043 179.4307 54 K 3.8279 7.7829 118.0834 59.9596 32.0980 179.3663 55 R 4.0534 8.1875 117.3823 58.4736 29.9389 179.0093 56 Q 4.1099 8.1916 120.1042 58.4594 28.7480 178.3465 57 I 3.6523 8.4027 120.9191 65.0054 37.1940 177.5542 58 A 3.9223 8.0873 120.6810 55.5979 17.8475 179.4494 59 R 3.8765 8.4681 115.8479 60.3318 30.6449 178.4661 60 L 3.8096 8.4448 117.8182 57.4249 41.3933 179.2182 61 L 3.8578 8.4519 120.4837 58.5392 41.9165 180.2767 62 T 3.8287 8.0275 115.7455 66.8112 68.4385 176.4477 63 V 3.8091 7.9417 121.5403 65.3986 31.4775 177.5871 64 L 3.8025 7.8736 119.1020 58.3693 41.7681 178.7830 65 N 4.2557 7.7008 115.5751 56.7113 39.1978 176.3279 66 E 4.0940 8.3210 119.2780 59.5348 29.2112 179.2923 67 K 3.9866 8.7719 119.6678 58.8410 32.8567 178.2595 68 R 4.5325 7.6636 118.3810 54.4235 28.2783 177.2379 69 R 4.6330 7.4137 109.3317 54.5065 32.6176 175.7458 70 Q 4.6447 8.3377 114.3817 57.3275 34.5946 175.0959 71 N 4.8445 7.6160 113.0777 52.2925 38.9872 174.6556 72 A 4.2845 7.7976 127.1573 52.3661 19.4161 176.5932 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 K 8.17 4.21 0.00 1.86 1.88 0.00 1.58 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.50 7.81 3 L 7.40 3.82 0.00 1.84 1.57 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.25 3.82 0.00 4.08 4.15 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 5 E 7.68 3.91 0.00 2.03 2.12 0.00 0.00 0.00 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 2.38 0.00 6 V 8.66 3.53 2.23 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 1.00 0.00 0.00 0.96 0.00 0.00 7 R 8.11 3.45 0.00 2.07 2.20 0.00 3.01 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 8 K 7.95 4.12 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 9 Q 7.93 3.92 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 10 L 8.77 4.02 0.00 1.67 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 3.91 0.00 1.97 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 2.33 2.33 0.00 12 E 7.87 4.02 0.00 2.14 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 2.32 2.32 0.00 13 A 7.97 4.13 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 14 R 8.30 4.30 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 15 K 6.61 5.29 0.00 1.97 1.95 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.21 7.81 16 L 6.85 4.59 0.00 1.70 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.57 3.68 0.00 4.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.69 0.00 2.20 1.90 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 19 V 7.95 3.77 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 1.23 0.00 0.00 0.93 0.00 0.00 20 E 8.32 3.98 0.00 2.14 2.15 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 2.30 2.38 0.00 21 L 7.94 3.94 0.00 1.94 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.31 3.94 0.00 2.00 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 2.34 2.56 0.00 23 K 7.70 3.90 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.76 7.81 24 L 8.05 4.04 0.00 1.83 1.90 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.12 3.55 2.33 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 0.97 0.00 0.00 0.93 0.00 0.00 26 R 8.29 3.59 0.00 2.17 1.84 0.00 3.38 0.00 0.00 3.16 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 27 E 8.31 3.84 0.00 2.11 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 2.33 2.51 0.00 28 K 8.42 3.92 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.65 7.81 29 K 8.77 4.04 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.59 7.81 30 R 8.26 3.91 0.00 1.99 2.17 0.00 2.76 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 31 E 8.56 3.90 0.00 2.16 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 2.33 2.47 0.00 32 L 7.93 3.94 0.00 1.94 1.88 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.09 4.38 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 34 E 8.42 3.92 0.00 2.10 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 2.32 2.40 0.00 35 L 8.32 4.15 0.00 1.90 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.56 3.55 0.00 1.92 2.01 0.00 3.12 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.01 0.00 37 F 8.44 4.55 0.00 3.46 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 38 Q 8.84 3.99 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 39 A 7.91 4.25 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 40 S 7.83 4.19 0.00 3.88 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 41 I 7.43 4.33 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.93 0.00 0.00 42 G 8.88 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 5.74 3.91 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 44 L 7.89 5.04 0.00 1.82 1.80 0.94 0.71 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 45 S 7.82 4.56 0.00 3.88 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 46 Q 8.07 4.51 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 5.73 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 47 N 8.96 3.73 0.00 2.90 2.72 0.00 0.00 6.75 8.16 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 48 H 8.80 3.81 0.00 3.38 3.47 0.00 5.48 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 49 K 7.59 3.86 0.00 1.72 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.25 7.81 50 I 8.37 3.67 1.97 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 1.58 1.20 0.95 0.00 0.00 51 R 7.90 4.05 0.00 2.08 2.18 0.00 3.05 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 52 D 8.18 4.35 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.41 4.02 0.00 1.61 1.71 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.78 3.83 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.66 7.81 55 R 8.19 4.05 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 56 Q 8.19 4.11 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 57 I 8.40 3.65 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 0.91 0.00 0.00 58 A 8.09 3.92 1.39 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 0.00 0.00 59 R 8.47 3.88 0.00 2.07 2.04 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 60 L 8.44 3.81 0.00 1.86 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.45 3.86 0.00 1.85 1.76 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.03 3.83 4.49 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 1.21 0.00 0.00 63 V 7.94 3.81 2.23 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 1.29 0.00 0.00 1.05 0.00 0.00 64 L 7.87 3.80 0.00 1.75 1.84 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.70 4.26 0.00 2.94 2.95 0.00 0.00 7.27 8.84 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 66 E 8.32 4.09 0.00 2.22 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 0.00 2.47 2.36 0.00 67 K 8.77 3.99 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 68 R 7.66 4.53 0.00 1.94 1.92 0.00 3.20 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 69 R 7.41 4.63 0.00 1.93 1.85 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 70 Q 8.34 4.64 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.28 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 71 N 7.62 4.84 0.00 2.74 2.84 0.00 0.00 6.78 7.23 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 72 A 7.80 4.28 1.18 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