NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2623 8.2644 123.5793 51.9196 19.7849 176.6124 3 K 3.9010 8.4329 114.8326 56.2727 29.6624 173.6108 4 D 4.3908 8.4692 121.1995 54.3665 40.8358 175.7528 5 G 4.0093 7.9710 113.9590 42.2972 0.0000 169.4012 6 P 4.0615 0.0000 0.0000 63.6001 32.2529 176.3661 7 R 4.2155 12.0000 118.8659 56.1482 30.6371 177.1763 8 I 3.3082 7.1716 122.1345 60.9563 35.8545 173.9745 9 I 4.8341 12.0000 123.9522 59.5652 37.7547 175.5381 10 V 4.4034 8.3937 127.4855 61.1469 34.8769 174.1874 11 K 4.4647 8.7256 127.4953 56.5704 33.0164 175.9027 12 M 4.7361 8.4439 122.2951 54.5168 36.6935 174.0932 13 E 4.6175 8.3836 119.1786 55.2400 31.4589 175.4267 14 S 5.4475 8.0914 112.9824 59.3907 65.2674 177.3976 15 S 4.6394 8.6111 120.6377 57.9687 64.0290 173.7013 16 A 3.6587 7.5223 121.7914 51.0004 18.0915 177.2065 17 G 3.7341 8.3408 105.7866 45.8893 0.0000 171.4106 18 T 3.2514 8.5139 115.2626 62.6345 65.5189 174.9416 19 G 3.8834 9.4040 110.8511 46.2288 0.0000 174.5614 20 F 4.8390 8.5898 117.9038 58.1943 35.7787 175.9552 21 Y 3.7820 8.4155 127.3819 56.9727 38.8961 171.8727 22 Y 5.5304 9.5658 118.4933 55.6226 38.7420 175.8735 23 T 4.5634 8.5969 125.1566 62.1724 69.4077 172.5619 24 T 4.0557 8.1201 114.5696 62.0843 69.5233 173.5864 25 T 4.1651 7.5456 109.1945 61.3466 70.9350 171.7937 26 K 4.7939 8.8518 124.1768 55.1022 35.3620 174.6357 27 N 5.1242 8.3901 117.7356 52.6363 44.4366 173.9396 28 R 5.0882 8.7907 115.8112 56.6657 30.8836 175.8620 29 R 3.6731 9.4872 121.7683 60.3187 28.6528 181.2057 30 N 3.4264 6.9826 112.5095 53.4513 41.7843 174.4939 31 T 4.3996 7.4235 110.4546 60.1851 72.0540 175.2367 32 Q 3.0303 8.3054 112.5686 56.9048 26.3608 175.7673 33 A 4.1658 8.6089 134.3271 52.7275 17.1306 180.5022 34 K 4.1622 9.3782 114.2261 56.4273 32.7257 176.9651 35 L 4.5784 10.1948 119.1998 53.0477 43.3472 176.4174 36 E 6.3000 7.8163 130.8975 56.9991 32.3975 175.4579 37 L 5.2398 7.7077 122.7746 52.9904 46.0980 175.6274 38 K 4.4303 9.1982 120.6685 56.3049 37.1593 174.3694 39 K 5.7042 8.9216 122.0240 56.2516 34.2538 177.6974 40 Y 4.2917 8.6139 124.0002 57.1836 43.3846 177.3584 41 D 5.8500 8.9498 131.4272 53.3282 39.6004 174.4013 42 P 4.4426 0.0000 0.0000 62.6726 32.2757 177.5720 43 V 3.4803 6.8912 118.6294 65.7325 31.6375 176.7277 44 A 3.8940 8.0633 123.0731 54.1358 19.8454 177.3833 45 K 4.5107 7.7146 116.3467 55.3560 34.3142 178.1534 46 K 4.6800 8.3970 124.4966 57.0393 36.9842 177.0712 47 H 4.9830 8.7962 115.0627 58.9383 26.1879 175.3975 48 V 3.7852 9.0965 122.6493 64.0069 32.1355 170.8215 49 V 3.9400 8.1385 125.9222 63.8160 31.9555 175.0885 50 F 5.3193 8.2456 120.5973 56.8049 42.0375 174.4399 51 R 4.6133 8.6038 123.1261 56.3479 31.1637 176.9137 52 E 5.0482 8.6022 118.7756 56.7977 32.5616 176.9710 53 K 4.1379 7.8836 116.8384 56.7274 32.9659 176.1756 54 K 4.0306 8.2680 121.4128 57.0732 31.9223 175.2679 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 4.26 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 3 K 8.43 3.90 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 D 8.47 4.39 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 6 P 0.00 4.06 0.00 2.05 2.10 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 7 R 12.00 4.22 0.00 1.91 1.85 0.00 3.12 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 8 I 7.17 3.31 1.87 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 1.41 0.75 0.93 0.00 0.00 9 I 12.00 4.83 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.90 0.00 0.00 10 V 8.39 4.40 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 0.94 0.00 0.00 0.92 0.00 0.00 11 K 8.73 4.46 0.00 1.65 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 M 8.44 4.74 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 13 E 8.38 4.62 0.00 1.79 1.67 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 2.04 2.20 0.00 14 S 8.09 5.45 0.00 4.44 3.92 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 0.00 0.00 0.00 15 S 8.61 4.64 0.00 3.95 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 16 A 7.52 3.66 1.26 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 17 G 8.34 3.73 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 0.00 0.00 0.00 18 T 8.51 3.25 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 G 9.40 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 20 F 8.59 4.84 0.00 2.77 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 3.78 0.00 2.83 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 22 Y 9.57 5.53 0.00 2.97 2.51 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 0.00 0.00 0.00 0.00 23 T 8.60 4.56 4.11 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 0.00 0.00 0.00 1.37 0.00 0.00 24 T 8.12 4.06 4.23 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 0.00 0.00 0.00 1.22 0.00 0.00 25 T 7.55 4.17 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 1.13 0.00 0.00 26 K 8.85 4.79 0.00 1.62 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.42 7.81 27 N 8.39 5.12 0.00 2.75 2.66 0.00 0.00 6.72 7.54 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 28 R 8.79 5.09 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.35 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 29 R 9.49 3.67 0.00 1.93 2.15 0.00 3.05 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 N 6.98 3.43 0.00 2.78 3.31 0.00 0.00 6.73 7.70 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 31 T 7.42 4.40 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 32 Q 8.31 3.03 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 33 A 8.61 4.17 1.17 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 0.00 0.00 34 K 9.38 4.16 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 L 10.19 4.58 0.00 1.65 1.63 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.82 6.30 0.00 1.73 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 2.13 1.79 0.00 37 L 7.71 5.24 0.00 1.50 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.20 4.43 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.28 7.81 39 K 8.92 5.70 0.00 1.80 2.15 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.61 7.81 40 Y 8.61 4.29 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 5.85 0.00 2.75 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 42 P 0.00 4.44 0.00 2.43 2.10 0.00 4.13 0.00 0.00 4.12 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 43 V 6.89 3.48 1.84 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 0.69 0.00 0.00 1.42 0.00 0.00 44 A 8.06 3.89 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 45 K 7.71 4.51 0.00 1.86 1.25 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 46 K 8.40 4.68 0.00 1.73 1.47 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.38 7.81 47 H 8.80 4.98 0.00 3.51 3.35 0.00 6.05 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.10 3.79 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 0.31 0.00 0.00 0.92 0.00 0.00 49 V 8.14 3.94 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 0.94 0.00 0.00 0.93 0.00 0.00 50 F 8.25 5.32 0.00 4.13 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 51 R 8.60 4.61 0.00 1.79 1.87 0.00 3.08 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 52 E 8.60 5.05 0.00 1.93 2.04 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 2.23 2.20 0.00 53 K 7.88 4.14 0.00 1.74 1.78 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.49 7.81 54 K 8.27 4.03 0.00 1.57 1.54 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.40 7.81