NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0658 8.0544 114.0556 60.6341 33.2437 174.7958 10 N 4.1951 8.0902 120.9302 53.4590 39.1518 171.2283 11 V 3.8052 9.2648 119.5660 63.5416 32.7156 176.2522 12 Q 4.6312 8.9415 117.3785 55.6181 29.8924 176.3336 13 R 4.6661 7.8158 117.8607 52.7252 30.6105 173.9586 14 P 4.2795 0.0000 0.0000 65.8110 31.5440 178.2213 15 L 4.0764 7.8423 116.9582 56.4156 41.5256 178.5247 16 D 4.3703 8.2737 119.3967 56.9563 40.4447 178.2758 17 A 4.0066 7.7485 120.7890 54.6956 18.5337 179.4933 18 L 3.8498 7.8671 118.3258 57.6882 41.5528 179.4204 19 G 4.0737 7.9326 105.1964 48.3280 0.0000 174.8947 20 N 4.6335 8.4293 116.8189 54.5944 38.8097 176.4380 21 S 4.6600 8.0968 116.4959 57.0291 63.5666 173.7352 22 L 4.3116 7.4085 122.8680 56.2760 41.7949 177.0283 23 N 4.3598 9.4624 119.1615 53.6606 37.0071 174.0038 24 S 5.0468 7.8266 113.5334 55.4978 66.2084 171.8804 25 P 4.9575 0.0000 0.0000 63.2808 32.0120 175.6691 26 V 4.8053 8.8818 113.9021 60.0177 36.8643 174.0264 27 I 4.7482 9.1553 122.8878 59.6932 40.0450 174.7997 28 I 4.8393 9.1304 127.7108 59.3035 40.2099 174.2582 29 K 4.5327 8.3348 128.4050 54.5397 34.2735 175.3065 30 L 5.0576 8.4862 126.9715 52.5016 44.8336 176.1726 31 K 4.1106 8.4564 120.6717 58.2050 32.2667 178.1735 32 G 3.8327 8.6846 111.0377 44.8956 0.0000 173.6575 33 D 4.5121 7.9911 117.4800 54.5198 39.2703 174.4117 34 R 4.1390 7.5513 118.5075 56.4057 31.4968 175.1129 35 E 5.1210 8.4498 121.0824 54.6864 33.8784 174.1880 36 F 5.1905 9.2444 122.1121 55.7924 43.7726 173.9550 37 R 5.1483 8.2164 120.6173 53.5453 33.9336 175.0011 38 G 4.4051 8.1704 108.5335 45.9164 0.0000 171.6791 39 V 4.4725 8.1755 120.4975 61.8189 32.9324 174.9887 40 L 4.3508 8.8593 131.0328 55.3822 42.3641 176.9416 41 K 4.4645 9.1657 126.5601 58.0883 33.9113 176.4243 42 S 4.7547 7.7924 112.2024 57.9558 66.2950 173.1228 43 F 5.9509 7.9074 114.2413 57.3277 40.6532 172.0181 44 D 4.8620 8.4959 117.8267 51.2203 42.3185 175.9077 45 L 4.1462 8.4479 117.9396 58.3136 40.5986 177.2422 46 H 4.5355 8.4907 116.3954 55.7352 28.9009 175.9279 47 M 3.4376 8.3290 118.0095 55.9883 30.0396 176.5577 48 N 4.9409 8.1211 116.7171 53.6489 40.0057 173.9225 49 L 5.2080 9.0808 121.8191 54.4758 45.0647 174.6784 50 V 4.8911 8.7598 119.1563 61.1253 34.2440 174.2674 51 L 5.3278 8.9889 127.1114 53.1125 45.3100 175.2013 52 N 5.1903 8.9997 118.5688 51.3740 42.3185 173.9703 53 D 4.4371 8.5824 116.8587 55.3480 38.8694 174.0439 54 A 4.7786 8.0287 119.2669 51.8005 20.4711 177.6532 55 E 5.1203 9.2259 119.0109 54.5785 34.2952 174.2507 56 E 4.4529 9.0751 123.9661 54.3568 32.2738 174.6132 57 L 5.2566 8.5111 125.7522 53.1495 45.8236 175.3429 58 E 4.7202 8.8847 120.9990 55.3716 33.9992 175.5088 59 D 4.3861 9.9638 122.3734 55.4353 38.6619 174.7078 60 G 3.9471 9.1633 104.1080 45.4125 0.0000 173.3756 61 E 4.6638 8.0624 116.7372 53.9037 32.8474 174.6795 62 V 4.0867 8.2773 120.0124 63.1909 31.8407 175.5701 63 T 4.5465 8.7404 116.9912 61.8536 70.5076 174.3981 64 R 4.5665 7.6286 121.0631 55.4181 33.6982 173.2790 65 R 4.7989 8.6515 124.9143 55.0016 30.9213 175.8640 66 L 4.3982 9.1523 124.4752 52.9369 43.5247 178.7422 67 G 3.9538 8.2956 107.0722 46.7239 0.0000 174.4948 68 T 4.9200 8.4566 121.4734 62.7040 69.4159 173.7735 69 V 4.4901 8.8302 124.6379 60.1023 35.3513 173.3056 70 L 4.9563 8.4947 125.4033 53.6210 43.5725 175.1258 71 I 4.3416 8.5801 127.7769 59.3126 39.6915 175.5342 72 R 4.4945 8.4851 126.4601 55.6453 30.9344 177.9062 73 G 3.8787 9.8275 112.0169 48.1191 0.0000 175.1495 74 D 4.3099 8.1528 118.1791 56.4605 41.3509 176.2939 75 N 4.7707 7.9212 114.6106 53.1052 39.1887 174.5843 76 I 4.1912 7.7090 120.8650 61.1076 38.0845 175.6032 77 V 4.2188 8.7639 125.8915 64.7937 32.2627 175.2285 78 Y 5.0263 7.1451 116.0954 55.8873 41.6396 173.1050 79 I 5.1840 8.4740 119.9678 59.6937 40.5579 174.9369 80 S 4.7997 9.3535 121.5591 56.5931 65.4357 174.5498 81 R 4.3088 9.0092 123.9018 55.6375 31.0943 178.9228 82 G 3.7493 8.3814 108.0520 46.5769 0.0000 173.7965 83 K 4.1630 8.3935 120.4226 56.7040 33.2022 175.9565 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 9 V 8.05 4.07 2.07 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 0.85 0.00 0.00 0.92 0.00 0.00 10 N 8.09 4.20 0.00 2.72 2.70 0.00 0.00 7.45 6.83 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 11 V 9.26 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.94 4.63 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.20 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 13 R 7.82 4.67 0.00 1.92 1.94 0.00 3.31 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 14 P 0.00 4.28 0.00 2.24 2.31 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 15 L 7.84 4.08 0.00 1.71 1.75 1.01 1.11 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 16 D 8.27 4.37 0.00 2.80 2.73 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 17 A 7.75 4.01 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 18 L 7.87 3.85 0.00 0.47 0.13 0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.93 4.07 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 0.00 0.00 0.00 20 N 8.43 4.63 0.00 2.80 2.89 0.00 0.00 7.00 7.14 0.00 0.00 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 S 8.10 4.66 0.00 3.85 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 22 L 7.41 4.31 0.00 1.73 1.68 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.46 4.36 0.00 2.86 2.97 0.00 0.00 6.83 7.57 0.00 0.00 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 S 7.83 5.05 0.00 3.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.96 0.00 2.12 2.11 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 26 V 8.88 4.81 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 0.86 0.00 0.00 1.01 0.00 0.00 27 I 9.16 4.75 2.00 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 1.28 0.90 1.02 0.00 0.00 28 I 9.13 4.84 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.89 0.00 0.00 29 K 8.33 4.53 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.21 7.81 30 L 8.49 5.06 0.00 1.67 1.66 1.09 0.43 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 31 K 8.46 4.11 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.57 7.81 32 G 8.68 3.83 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 0.00 0.00 0.00 33 D 7.99 4.51 0.00 2.87 2.81 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 34 R 7.55 4.14 0.00 1.80 1.77 0.00 3.19 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 35 E 8.45 5.12 0.00 1.93 1.58 0.00 0.00 0.00 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 2.39 0.00 36 F 9.24 5.19 0.00 3.01 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 37 R 8.22 5.15 0.00 1.73 1.80 0.00 3.18 0.00 0.00 3.29 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 38 G 8.17 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 0.00 0.00 0.00 0.00 39 V 8.18 4.47 2.10 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 0.99 0.00 0.00 0.95 0.00 0.00 40 L 8.86 4.35 0.00 1.85 1.74 1.12 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.17 4.46 0.00 1.74 1.84 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.64 7.81 42 S 7.79 4.75 0.00 3.74 3.88 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 43 F 7.91 5.95 0.00 3.15 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 44 D 8.50 4.86 0.00 2.86 2.76 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 45 L 8.45 4.15 0.00 1.74 1.85 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.49 4.54 0.00 3.46 3.38 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.33 3.44 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 48 N 8.12 4.94 0.00 2.95 2.74 0.00 0.00 6.53 6.74 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 49 L 9.08 5.21 0.00 1.85 1.82 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.76 4.89 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 0.94 0.00 0.00 0.92 0.00 0.00 51 L 8.99 5.33 0.00 1.60 1.53 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.00 5.19 0.00 2.61 2.69 0.00 0.00 7.29 8.60 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 53 D 8.58 4.44 0.00 2.79 2.72 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 54 A 8.03 4.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.23 5.12 0.00 1.87 1.77 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 2.22 2.24 0.00 56 E 9.08 4.45 0.00 1.86 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 0.00 1.82 1.47 0.00 57 L 8.51 5.26 0.00 1.46 1.47 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.88 4.72 0.00 1.77 1.72 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 2.12 2.17 0.00 59 D 9.96 4.39 0.00 2.74 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 60 G 9.16 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.06 4.66 0.00 2.07 1.98 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 2.28 2.20 0.00 62 V 8.28 4.09 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 0.84 0.00 0.00 0.91 0.00 0.00 63 T 8.74 4.55 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 1.22 0.00 0.00 64 R 7.63 4.57 0.00 1.86 1.73 0.00 3.17 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 65 R 8.65 4.80 0.00 1.73 1.86 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 66 L 9.15 4.40 0.00 1.58 1.76 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.30 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.46 4.92 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 69 V 8.83 4.49 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 0.78 0.00 0.00 0.81 0.00 0.00 70 L 8.49 4.96 0.00 1.61 1.56 0.95 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 71 I 8.58 4.34 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.36 0.68 0.00 0.00 72 R 8.49 4.49 0.00 1.83 1.82 0.00 3.10 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 73 G 9.83 3.88 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 0.00 0.00 0.00 74 D 8.15 4.31 0.00 2.62 2.72 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 75 N 7.92 4.77 0.00 2.74 2.81 0.00 0.00 6.84 8.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.71 4.19 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.91 0.00 0.00 77 V 8.76 4.22 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 0.89 0.00 0.00 0.94 0.00 0.00 78 Y 7.15 5.03 0.00 3.01 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 79 I 8.47 5.18 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.91 0.00 0.00 80 S 9.35 4.80 0.00 3.90 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 81 R 9.01 4.31 0.00 1.84 1.95 0.00 3.58 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 82 G 8.38 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.39 4.16 0.00 1.69 1.64 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81