NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.1592 0.0000 0.0000 62.3252 33.0563 176.4023 11 Y 4.5676 7.2384 115.8490 57.2037 38.3075 173.7607 12 H 4.2151 7.9804 120.4276 55.2524 31.3650 173.0299 13 P 4.5383 0.0000 0.0000 62.9412 32.0186 175.1530 14 S 4.8963 8.1905 114.2844 56.7961 65.0412 173.8858 15 E 4.4058 8.6620 122.9089 56.2757 30.5444 176.3548 16 C 5.2011 8.7172 120.7132 55.2329 44.2292 173.8942 17 C 4.8251 8.3465 117.9956 55.4137 41.6383 174.0028 18 F 4.5551 8.5154 121.0707 57.6233 40.6232 174.9373 19 T 4.4689 7.4922 112.8719 60.4418 70.4813 171.8700 20 Y 5.2071 8.0556 121.3636 55.9124 41.0156 175.8535 21 T 4.1604 8.7710 119.4303 62.9734 67.8696 173.9019 22 T 4.5347 8.7615 116.7243 61.8494 69.9333 173.9624 23 Y 4.6440 7.7556 120.2898 54.7319 39.9358 175.3120 24 K 2.0000 7.8528 123.4680 55.2008 32.4901 176.5428 25 I 3.5022 6.2512 127.7906 59.9266 37.7966 174.2233 26 P 4.2230 0.0000 0.0000 62.5830 31.9792 177.1757 27 R 3.2661 8.7189 123.0231 59.3140 30.0031 178.2163 28 Q 3.9976 7.8376 117.0974 58.5309 29.2885 176.7974 29 R 4.2022 7.9684 115.9180 57.1720 30.5956 175.8735 30 I 4.5683 7.3941 119.6840 60.3972 38.4796 174.4179 31 M 4.5642 8.8756 124.1768 56.9219 33.8593 174.9557 32 D 5.1220 8.0357 115.9413 53.3772 45.4459 172.7949 33 Y 5.3526 8.1348 118.5257 56.0804 41.1618 173.1682 34 Y 4.6190 8.3184 117.4980 55.6579 42.0745 173.0935 35 E 4.8703 8.7177 121.4705 55.2432 30.8310 175.9523 36 T 4.4030 8.4192 117.1930 60.8955 70.3759 173.8563 37 N 4.3725 8.2204 121.6627 53.6029 39.3738 175.9791 38 S 4.1589 8.8080 119.8121 61.5136 62.9243 175.6066 39 Q 4.1543 8.4951 118.8324 57.7287 28.7513 175.9134 40 C 4.4608 8.0306 116.3975 57.0175 40.6298 174.5479 41 S 4.2025 8.4716 115.1806 59.2268 63.3355 174.2952 42 K 4.6971 7.2864 120.1202 53.9195 35.8646 174.5096 43 P 4.4662 0.0000 0.0000 63.1526 32.1889 176.0181 44 G 4.2607 8.1109 105.4602 45.3784 0.0000 171.9061 45 I 4.7476 8.2224 124.3884 59.1053 40.1797 174.6267 46 V 4.4450 7.9051 127.8154 61.3214 32.8710 174.7473 47 F 5.0082 8.8695 127.3213 56.8434 41.0310 174.7964 48 I 5.1300 8.8552 124.0255 59.8270 39.5531 176.0274 49 T 4.7016 9.1799 118.4025 60.7483 70.2210 175.9739 50 K 4.1009 8.9398 121.1414 59.0877 32.0062 178.7477 51 R 4.1297 7.8978 115.7361 56.5558 30.4864 177.0662 52 G 4.0345 8.0785 106.6292 45.2590 0.0000 173.0053 53 H 4.8455 8.0181 116.6457 54.9227 30.5365 174.3835 54 S 5.3233 8.7476 118.1736 56.9816 64.7731 173.6489 55 V 4.5420 8.9608 125.0637 61.0440 34.4953 173.9481 56 C 5.1307 8.9901 125.9378 57.3169 37.8081 172.7538 57 T 5.1053 8.7392 112.5762 59.8418 72.7585 172.6294 58 N 3.3907 8.0185 121.2291 51.7976 39.0279 174.1966 59 P 3.9562 0.0000 0.0000 64.7684 31.4998 177.1967 60 S 4.3387 7.6980 111.3131 58.4978 63.8542 174.5807 61 D 4.4232 7.7566 123.3377 53.4877 42.2801 176.8751 62 K 3.8141 8.5099 125.1068 59.3638 32.2713 178.8926 63 W 4.0711 8.1295 116.5025 59.5454 27.6993 178.0593 64 V 2.8455 6.2561 118.2003 65.6768 30.8433 177.8650 65 Q 3.8580 7.5468 117.1868 59.0296 28.5415 178.5922 66 D 4.4046 8.7189 120.2279 57.5846 40.7955 178.4644 67 Y 4.3534 8.3815 117.4998 61.2060 37.6717 178.7374 68 I 3.3797 7.6026 119.4732 64.1324 37.3339 178.0372 69 K 4.0213 8.0727 119.3976 59.8856 31.8167 178.7264 70 D 4.5070 8.0808 115.4921 56.4346 41.2122 176.8803 71 M 4.4721 7.3876 116.9758 54.1856 32.6422 175.9686 72 K 4.2048 7.4550 121.9121 56.6864 32.7985 176.6959 73 E 4.8352 8.5981 126.6741 55.2894 30.5455 175.6447 74 N 4.4979 8.0722 121.3687 53.4049 37.0536 173.9125 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 10 P 0.00 4.16 0.00 1.57 1.95 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.68 0.00 11 Y 7.24 4.57 0.00 3.12 3.01 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 12 H 7.98 4.22 0.00 3.10 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.21 2.04 0.00 3.28 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 14 S 8.19 4.90 0.00 3.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.41 0.00 2.07 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 0.00 2.42 2.35 0.00 16 C 8.72 5.20 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 4.83 0.00 2.92 2.98 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 0.00 0.00 0.00 0.00 18 F 8.52 4.56 0.00 3.02 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 19 T 7.49 4.47 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 1.26 0.00 0.00 20 Y 8.06 5.21 0.00 3.01 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 21 T 8.77 4.16 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 22 T 8.76 4.53 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 1.33 0.00 0.00 23 Y 7.76 4.64 0.00 3.08 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 24 K 7.85 2.00 0.00 0.81 1.20 0.00 1.39 0.00 0.00 1.37 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.74 0.21 7.81 25 I 6.25 3.50 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.12 0.88 0.00 0.00 26 P 0.00 4.22 0.00 2.14 1.95 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 27 R 8.72 3.27 0.00 1.13 1.68 0.00 2.21 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 28 Q 7.84 4.00 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 29 R 7.97 4.20 0.00 2.08 1.97 0.00 3.21 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 30 I 7.39 4.57 1.88 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 1.19 0.52 1.12 0.00 0.00 31 M 8.88 4.56 0.00 2.22 2.09 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 2.55 2.50 0.00 32 D 8.04 5.12 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 5.35 0.00 2.34 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.62 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.72 4.87 0.00 2.06 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 2.25 2.28 0.00 36 T 8.42 4.40 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 37 N 8.22 4.37 0.00 2.84 2.74 0.00 0.00 7.32 7.51 0.00 0.00 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 S 8.81 4.16 0.00 4.01 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 39 Q 8.50 4.15 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 C 8.03 4.46 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.20 0.00 4.05 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 42 K 7.29 4.70 0.00 1.77 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 43 P 0.00 4.47 0.00 2.02 1.97 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 44 G 8.11 4.26 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 0.00 0.00 0.00 45 I 8.22 4.75 1.46 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 0.86 0.86 0.06 0.00 0.00 46 V 7.91 4.44 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.70 0.00 0.00 47 F 8.87 5.01 0.00 3.19 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 48 I 8.86 5.13 2.00 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 1.44 1.09 1.00 0.00 0.00 49 T 9.18 4.70 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 1.33 0.00 0.00 50 K 8.94 4.10 0.00 1.78 1.94 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.44 7.81 51 R 7.90 4.13 0.00 1.82 1.89 0.00 3.33 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 G 8.08 4.03 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 0.00 0.00 0.00 53 H 8.02 4.85 0.00 3.20 3.30 0.00 5.59 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 54 S 8.75 5.32 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.96 4.54 2.30 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 1.17 0.00 0.00 1.10 0.00 0.00 56 C 8.99 5.13 0.00 3.07 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 57 T 8.74 5.11 3.98 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 0.00 0.00 0.00 1.60 0.00 0.00 58 N 8.02 3.39 0.00 1.95 2.38 0.00 0.00 6.93 7.71 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 59 P 0.00 3.96 0.00 1.91 1.93 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 60 S 7.70 4.34 0.00 3.89 3.91 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 61 D 7.76 4.42 0.00 2.08 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 0.00 0.00 0.00 62 K 8.51 3.81 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.47 7.81 63 W 8.13 4.07 0.00 3.10 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 64 V 6.26 2.85 1.63 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 0.72 0.00 0.00 -0.66 0.00 0.00 65 Q 7.55 3.86 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 66 D 8.72 4.40 0.00 2.89 2.85 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 0.00 0.00 0.00 67 Y 8.38 4.35 0.00 3.16 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 68 I 7.60 3.38 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.17 0.69 0.00 0.00 69 K 8.07 4.02 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 70 D 8.08 4.51 0.00 2.78 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 71 M 7.39 4.47 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.63 0.00 72 K 7.45 4.20 0.00 1.88 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.46 7.81 73 E 8.60 4.84 0.00 1.97 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 2.22 2.51 0.00 74 N 8.07 4.50 0.00 2.78 2.73 0.00 0.00 6.12 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