NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3306 0.0000 0.0000 61.6145 33.2463 175.9619 4 R 4.2011 7.9132 119.8596 54.9535 32.0410 173.0143 5 P 4.1572 0.0000 0.0000 65.7527 32.8548 177.8438 6 L 3.9688 8.1982 117.6681 58.3109 41.4558 179.4201 7 D 4.3915 8.7257 118.9461 57.2552 40.4804 178.9793 8 V 3.5852 7.4910 118.1625 65.6600 31.7837 177.7727 9 L 3.9177 7.6581 118.3064 57.7504 41.4082 178.5220 10 N 4.2019 7.6494 116.7597 56.8529 38.6511 176.3610 11 R 4.2062 7.7157 115.3417 57.6423 30.3348 176.4968 12 S 4.6578 8.2612 112.6176 58.2277 64.6366 174.0480 13 L 4.3164 7.7050 121.0220 56.4125 41.7776 177.5136 14 K 3.9635 8.8890 120.0592 56.7742 30.5896 175.6872 15 S 5.0398 7.6205 113.9923 55.3258 66.2405 171.8897 16 P 4.9114 0.0000 0.0000 63.6213 32.5261 175.3848 17 V 4.8347 9.2091 114.2512 60.5465 37.3627 173.3283 18 I 4.7515 9.0433 122.8993 59.8514 39.7609 175.1290 19 V 4.5242 8.7769 128.4650 61.2641 33.2001 174.3855 20 R 4.5940 8.3507 129.1595 54.8459 30.3021 174.9872 21 L 5.2557 8.2161 124.4766 52.2640 45.8775 175.9841 22 K 3.6541 8.3167 121.0240 58.2776 31.8957 176.2835 23 G 4.2691 9.9402 120.2029 43.7290 0.0000 173.2165 24 G 3.9606 7.9295 114.0440 45.2553 0.0000 174.0933 25 R 4.0597 7.5331 120.0044 56.5358 31.3892 175.2614 26 E 5.2386 8.5017 117.9459 54.8790 34.3572 174.5383 27 F 5.3328 9.4033 120.7097 55.8450 43.0394 174.6068 28 R 4.9859 8.6077 119.7722 54.9737 33.8089 175.2433 29 G 4.2676 8.4002 109.6340 46.6363 0.0000 171.2500 30 T 4.8739 7.7656 116.7027 62.0651 70.0571 174.8386 31 L 4.3736 8.6272 129.6878 55.9231 40.6820 176.3622 32 D 4.4596 8.8750 125.4528 56.2182 42.4149 175.5079 33 G 4.3346 7.5810 103.7611 45.9423 0.0000 171.2041 34 Y 5.6903 8.2841 117.2332 57.9969 40.6071 172.0045 35 D 4.3146 8.3638 117.7513 51.9994 42.0909 175.7418 36 I 3.6494 8.4509 119.1465 64.7897 37.6320 176.3700 37 H 4.3589 8.0684 114.9561 57.3695 29.0991 175.2237 38 M 3.4006 8.8339 118.9457 55.7974 31.3309 175.8211 39 N 5.0818 8.2076 112.8324 52.9316 40.2465 174.2297 40 L 5.3686 8.4931 119.2415 53.1721 46.9545 175.6825 41 V 5.4185 8.3681 119.3657 60.2154 35.0143 174.3757 42 L 5.7862 8.2476 125.1766 52.0374 46.4551 175.2452 43 L 4.9119 8.3261 120.5590 53.2816 45.1993 175.8890 44 D 4.3642 7.8863 117.3568 55.4222 38.5401 172.9130 45 A 5.2073 8.0486 124.2091 50.2783 23.3400 176.1276 46 E 5.0196 9.1558 117.9341 54.5804 33.7564 175.4630 47 E 3.8331 8.7283 124.2054 54.6435 30.8509 174.8971 48 I 4.3946 8.3656 130.1494 60.3974 36.7324 173.6714 49 Q 3.8035 8.8831 128.1814 56.0816 29.9827 175.6843 50 N 3.9916 9.2010 126.3802 54.3120 36.6847 172.5588 51 G 4.3712 7.7427 119.3549 45.2474 0.0000 172.1842 52 E 4.2609 8.0359 117.6299 53.9918 31.1591 176.2511 53 V 3.8030 8.1823 120.7874 63.3515 31.0824 175.8087 54 V 4.3198 8.5879 121.6209 59.5791 32.0018 176.0268 55 R 4.8407 6.7012 124.7410 56.3345 32.5576 172.7722 56 K 5.1860 8.4138 123.1306 54.9126 35.7947 175.9457 57 V 4.4995 8.5427 115.1899 59.6623 36.0486 176.4234 58 G 3.8485 9.0863 111.3884 49.4517 0.0000 173.1684 59 S 5.7401 7.4525 110.6019 58.6207 65.2434 176.2069 60 V 4.5534 7.8093 113.0666 59.8212 36.3605 174.0278 61 V 4.7546 8.2747 122.0857 61.1835 33.9922 174.5930 62 I 4.4016 8.2972 128.4427 59.0801 39.8500 175.5208 63 R 4.3470 8.7428 126.8107 56.3496 30.6349 178.0751 64 G 3.6928 9.2657 112.7532 48.0221 0.0000 174.8860 65 D 4.4270 8.0643 118.0631 56.7745 41.6004 176.8660 66 T 4.2296 8.0650 115.5596 64.8433 69.1715 175.1188 67 V 4.1118 7.3843 121.4446 62.9032 32.1896 175.0836 68 V 4.3326 8.3683 127.1212 64.2898 32.6612 175.6548 69 F 5.0691 7.3119 112.8262 55.7886 40.9477 172.7452 70 V 5.0391 8.6148 119.9428 61.4382 34.0288 174.5192 71 S 4.7291 9.0111 120.9368 55.8523 66.5038 171.1010 72 P 4.5606 0.0000 0.0000 63.3598 31.4206 176.4673 73 A 4.4227 8.4347 129.8041 51.9180 21.0680 175.6416 74 P 4.3407 0.0000 0.0000 62.5125 31.0166 175.7804 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 3 P 0.00 4.33 0.00 2.06 2.13 0.00 3.65 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 1.92 2.07 0.00 4 R 7.91 4.20 0.00 1.87 2.06 0.00 3.36 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 5 P 0.00 4.16 0.00 2.23 2.08 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 6 L 8.20 3.97 0.00 1.74 1.88 1.00 1.23 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 7 D 8.73 4.39 0.00 2.81 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 8 V 7.49 3.59 2.14 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 0.79 0.00 0.00 0.91 0.00 0.00 9 L 7.66 3.92 0.00 1.38 0.96 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.65 4.20 0.00 2.86 3.00 0.00 0.00 6.94 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 11 R 7.72 4.21 0.00 1.84 2.07 0.00 3.24 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 S 8.26 4.66 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.32 0.00 1.72 1.67 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.89 3.96 0.00 1.93 1.96 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 15 S 7.62 5.04 0.00 3.89 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 16 P 0.00 4.91 0.00 2.15 2.24 0.00 3.70 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 2.08 2.01 0.00 17 V 9.21 4.83 2.22 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 0.76 0.00 0.00 1.01 0.00 0.00 18 I 9.04 4.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.08 1.02 0.00 0.00 19 V 8.78 4.52 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 0.94 0.00 0.00 0.94 0.00 0.00 20 R 8.35 4.59 0.00 1.31 0.66 0.00 2.79 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.24 0.00 21 L 8.22 5.26 0.00 1.71 1.50 1.05 0.89 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 22 K 8.32 3.65 0.00 1.65 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 23 G 9.94 4.27 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 0.00 24 G 7.93 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 0.00 0.00 0.00 25 R 7.53 4.06 0.00 1.75 1.79 0.00 3.16 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 26 E 8.50 5.24 0.00 1.86 1.74 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 2.11 2.34 0.00 27 F 9.40 5.33 0.00 2.90 2.88 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 28 R 8.61 4.99 0.00 1.76 1.82 0.00 3.18 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 29 G 8.40 4.27 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 0.00 30 T 7.77 4.87 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 1.20 0.00 0.00 31 L 8.63 4.37 0.00 1.79 1.59 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.88 4.46 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 33 G 7.58 4.33 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 0.00 34 Y 8.28 5.69 0.00 3.03 2.91 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 35 D 8.36 4.31 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 36 I 8.45 3.65 1.81 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 1.33 0.62 0.72 0.00 0.00 37 H 8.07 4.36 0.00 3.35 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.83 3.40 0.00 2.16 2.37 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 2.50 2.51 0.00 39 N 8.21 5.08 0.00 3.02 2.72 0.00 0.00 6.81 6.60 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 40 L 8.49 5.37 0.00 1.48 1.48 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.37 5.42 2.19 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 1.13 0.00 0.00 0.92 0.00 0.00 42 L 8.25 5.79 0.00 1.51 1.47 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.33 4.91 0.00 1.58 1.55 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.89 4.36 0.00 2.76 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 45 A 8.05 5.21 1.40 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 0.00 0.00 46 E 9.16 5.02 0.00 1.86 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 2.21 2.23 0.00 47 E 8.73 3.83 0.00 1.38 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 48 I 8.37 4.39 1.80 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 1.06 0.92 0.91 0.00 0.00 49 Q 8.88 3.80 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.23 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 50 N 9.20 3.99 0.00 2.75 2.93 0.00 0.00 7.48 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 51 G 7.74 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.04 4.26 0.00 2.14 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 0.00 2.23 2.20 0.00 53 V 8.18 3.80 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 0.78 0.00 0.00 0.90 0.00 0.00 54 V 8.59 4.32 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 0.88 0.00 0.00 0.93 0.00 0.00 55 R 6.70 4.84 0.00 1.91 1.74 0.00 3.14 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 56 K 8.41 5.19 0.00 1.64 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.42 7.81 57 V 8.54 4.50 2.14 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 0.94 0.00 0.00 1.09 0.00 0.00 58 G 9.09 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 59 S 7.45 5.74 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.81 4.55 1.80 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 0.79 0.00 0.00 0.53 0.00 0.00 61 V 8.27 4.75 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 0.84 0.00 0.00 0.90 0.00 0.00 62 I 8.30 4.40 1.76 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.84 0.00 0.00 63 R 8.74 4.35 0.00 1.82 1.87 0.00 3.27 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 64 G 9.27 3.69 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 0.00 0.00 0.00 65 D 8.06 4.43 0.00 2.64 2.71 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 0.00 0.00 0.00 0.00 66 T 8.06 4.23 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 67 V 7.38 4.11 2.21 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 0.73 0.00 0.00 0.92 0.00 0.00 68 V 8.37 4.33 1.90 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 0.92 0.00 0.00 0.87 0.00 0.00 69 F 7.31 5.07 0.00 3.07 3.13 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 70 V 8.61 5.04 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 0.82 0.00 0.00 0.96 0.00 0.00 71 S 9.01 4.73 0.00 3.85 3.72 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 72 P 0.00 4.56 0.00 1.97 2.00 0.00 3.71 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 2.01 2.09 0.00 73 A 8.43 4.42 1.29 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 0.00 0.00 74 P 0.00 4.34 0.00 2.08 1.95 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00