NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4947 8.0393 114.0042 61.7209 33.3079 174.1105 2 R 4.5025 8.4324 118.0407 54.6864 33.1621 172.0487 3 D 4.8948 8.7886 122.3244 53.6034 42.5744 176.7787 4 A 3.4934 6.9477 123.0158 50.9291 23.7103 174.6434 5 Y 5.0445 8.3666 117.0284 57.0249 38.9341 175.5931 6 I 3.9031 8.5913 125.3979 61.1853 38.8448 174.7096 7 A 4.9091 8.5726 130.9501 50.4761 20.5964 176.4810 8 K 4.1672 8.7925 123.0677 53.9125 33.4848 174.4789 9 P 4.2763 0.0000 0.0000 63.1390 31.8639 175.6213 10 H 4.5398 8.4410 119.5618 54.6309 29.7023 173.9505 11 N 4.2746 8.5590 125.5346 55.1430 37.2538 174.0372 12 C 4.9155 7.9381 113.5525 54.8719 43.3789 174.7971 13 V 4.2615 7.9770 115.9561 61.3118 32.9681 175.1250 14 Y 4.5879 8.5930 119.2218 56.7645 38.8577 175.8864 15 E 4.9515 8.9380 124.3387 56.8130 30.6608 175.0938 16 C 4.7209 9.1835 114.3168 54.9990 44.5139 173.8375 17 A 4.5952 8.2703 120.3263 51.5018 20.3683 176.0833 18 R 4.8696 7.5494 111.8018 53.6694 32.6156 176.0146 19 N 4.5647 8.9814 117.5436 56.6273 38.5288 177.6321 20 E 4.0165 8.2997 119.6400 59.3678 29.5391 178.4231 21 Y 4.0802 7.6687 119.7397 61.0546 38.7843 177.8040 22 C 4.1978 8.2613 116.8320 59.8496 39.9476 175.3396 23 N 4.3112 8.3928 118.8260 56.5840 38.5488 176.2815 24 D 4.2268 8.2921 119.6635 57.2905 40.8281 177.9316 25 L 3.6854 7.4868 120.5848 58.2893 42.0376 178.3380 26 C 4.2290 8.3816 116.9623 60.2943 40.5888 176.3300 27 T 4.0222 8.0834 112.9077 64.0796 68.1340 176.7992 28 K 4.0085 7.9365 120.6930 58.7659 32.0306 177.8921 29 N 4.7672 7.4070 113.7155 52.8242 38.7323 176.0269 30 G 3.8519 7.9597 108.9066 44.7998 0.0000 173.9975 31 A 4.5900 7.7279 121.5819 50.9081 19.2479 178.8745 32 K 4.0414 8.7813 121.4718 59.5197 33.0317 176.5753 33 S 4.6419 7.6616 112.3991 58.7253 65.9403 174.8454 34 G 4.6738 9.1994 106.7722 46.5797 0.0000 171.6186 35 Y 4.9555 8.8027 117.3822 56.0534 42.0954 173.1993 36 C 4.6878 9.1335 120.9020 55.5888 43.7485 172.3697 37 Q 3.9455 8.2785 129.2179 54.5841 29.2926 176.6023 38 W 4.6019 8.6731 127.0489 58.5890 29.8096 177.0412 39 V 4.5904 7.7680 116.1682 59.1439 34.1148 175.3421 40 G 4.0524 8.2147 107.5798 45.6761 0.0000 172.2103 41 K 3.6490 9.0723 119.7408 59.3483 31.8953 178.2621 42 Y 4.6022 7.5246 113.4144 57.3133 39.1901 177.7310 43 G 3.8418 7.9211 108.2570 45.7419 0.0000 173.7038 44 N 4.8252 9.1025 121.8021 53.7952 39.7850 175.5143 45 G 4.3760 8.9405 112.8145 46.1293 0.0000 171.3129 46 C 5.1623 8.9684 118.5977 56.5184 42.7494 172.8976 47 W 4.9250 9.0246 133.9508 55.7914 32.7056 173.5577 48 C 5.2650 8.6568 124.9577 55.1546 44.1113 172.6405 49 I 4.3492 8.4984 123.4639 59.7315 38.9052 175.5159 50 E 3.9633 8.9346 130.8967 57.3157 27.2842 174.6373 51 L 4.1232 7.8499 121.3302 53.9789 43.5026 174.5184 52 P 4.6489 0.0000 0.0000 62.4901 31.9439 177.1729 53 D 4.3894 8.6482 121.0229 57.2352 40.8332 177.2734 54 N 4.5749 8.0461 113.7348 52.8181 37.8749 174.5348 55 V 4.1956 7.4504 120.0320 60.5193 32.7665 173.6243 56 P 4.5720 0.0000 0.0000 62.9856 32.4057 175.2384 57 I 4.9828 8.0062 114.9301 58.5728 41.0568 174.7934 58 R 4.0684 8.5777 124.0125 56.4549 30.1760 176.0666 59 V 4.6084 8.4000 118.4940 58.3669 35.7302 173.5482 60 P 4.3500 0.0000 0.0000 63.7693 31.5301 175.5412 61 G 3.8224 8.3307 106.7184 43.7971 0.0000 172.5934 62 K 4.4681 8.0972 120.1083 54.5710 33.6935 176.3803 63 C 4.8508 8.7757 124.1839 56.0471 44.3620 173.1190 64 H 4.4321 8.8457 121.6574 56.1161 28.0823 173.1239 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 V 8.04 4.49 1.94 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 0.87 0.00 0.00 0.91 0.00 0.00 2 R 8.43 4.50 0.00 1.76 1.94 0.00 2.96 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 3 D 8.79 4.89 0.00 2.62 2.46 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 0.00 0.00 0.00 4 A 6.95 3.49 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 5 Y 8.37 5.04 0.00 2.91 2.97 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 6 I 8.59 3.90 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.94 0.00 0.00 7 A 8.57 4.91 1.21 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 0.00 0.00 8 K 8.79 4.17 0.00 0.79 1.20 0.00 1.13 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 1.00 7.81 9 P 0.00 4.28 0.00 1.88 1.71 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 10 H 8.44 4.54 0.00 2.69 2.91 0.00 5.96 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.56 4.27 0.00 2.95 2.99 0.00 0.00 6.92 7.65 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 12 C 7.94 4.92 0.00 2.89 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 13 V 7.98 4.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.02 0.00 0.00 14 Y 8.59 4.59 0.00 3.04 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 15 E 8.94 4.95 0.00 1.91 1.99 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 2.67 2.37 0.00 16 C 9.18 4.72 0.00 3.18 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 17 A 8.27 4.60 1.16 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 0.00 0.00 18 R 7.55 4.87 0.00 2.03 2.03 0.00 3.00 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 19 N 8.98 4.56 0.00 2.86 3.03 0.00 0.00 7.00 7.66 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 20 E 8.30 4.02 0.00 2.13 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 2.44 2.47 0.00 21 Y 7.67 4.08 0.00 2.93 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.20 0.00 3.17 3.18 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 23 N 8.39 4.31 0.00 2.98 2.83 0.00 0.00 6.86 8.09 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 24 D 8.29 4.23 0.00 2.76 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 25 L 7.49 3.69 0.00 1.31 1.49 0.23 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.38 4.23 0.00 2.96 3.05 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 0.00 0.00 0.00 27 T 8.08 4.02 4.21 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 1.28 0.00 0.00 28 K 7.94 4.01 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.50 7.81 29 N 7.41 4.77 0.00 2.84 2.78 0.00 0.00 7.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.96 3.85 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 0.00 0.00 0.00 31 A 7.73 4.59 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 32 K 8.78 4.04 0.00 1.77 1.95 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.38 7.81 33 S 7.66 4.64 0.00 4.04 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 34 G 9.20 4.67 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 0.00 0.00 0.00 35 Y 8.80 4.96 0.00 3.24 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 36 C 9.13 4.69 0.00 3.27 3.29 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 37 Q 8.28 3.95 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 38 W 8.67 4.60 0.00 3.45 3.10 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 39 V 7.77 4.59 2.18 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 0.79 0.00 0.00 0.96 0.00 0.00 40 G 8.21 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.07 3.65 0.00 1.66 1.66 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 1.08 7.81 42 Y 7.52 4.60 0.00 1.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 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 0.00 0.00 0.00 44 N 9.10 4.83 0.00 2.85 2.83 0.00 0.00 6.64 7.98 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 45 G 8.94 4.38 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 0.00 0.00 0.00 46 C 8.97 5.16 0.00 3.01 3.05 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 0.00 0.00 0.00 47 W 9.02 4.92 0.00 2.94 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 48 C 8.66 5.26 0.00 2.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 4.35 1.91 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 1.22 1.43 0.98 0.00 0.00 50 E 8.93 3.96 0.00 2.18 1.93 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 2.21 2.34 0.00 51 L 7.85 4.12 0.00 1.59 1.55 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 2.36 1.93 0.00 3.70 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 2.08 2.08 0.00 53 D 8.65 4.39 0.00 2.65 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 54 N 8.05 4.57 0.00 2.82 2.91 0.00 0.00 5.86 7.68 0.00 0.00 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 7.45 4.20 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 0.79 0.00 0.00 0.97 0.00 0.00 56 P 0.00 4.57 0.00 2.11 1.95 0.00 3.59 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 2.11 2.09 0.00 57 I 8.01 4.98 1.93 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 1.22 0.66 0.93 0.00 0.00 58 R 8.58 4.07 0.00 1.57 1.42 0.00 3.20 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 V 8.40 4.61 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 0.77 0.00 0.00 0.97 0.00 0.00 60 P 0.00 4.35 0.00 2.09 2.08 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 61 G 8.33 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.47 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 63 C 8.78 4.85 0.00 3.05 2.95 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 64 H 8.85 4.43 0.00 3.25 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00