NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7051 8.4249 118.2174 52.5614 39.2250 174.1730 3 Q 4.3298 7.7040 116.9721 55.5164 28.9279 175.9584 4 G 3.7713 8.8469 109.7206 47.8175 0.0000 174.6383 5 K 4.3602 7.8780 118.7333 56.3818 32.4784 178.2190 6 I 3.3969 7.5056 122.1701 63.7651 37.7641 177.3040 7 W 5.2575 7.7891 116.3435 56.9825 29.0591 176.9313 8 T 4.2444 7.9816 109.1395 63.1476 68.8054 175.7582 9 V 4.1969 7.6458 113.6469 61.9600 34.2949 175.8878 10 V 4.1542 7.8849 120.1245 61.0262 32.6160 174.2458 11 N 4.7511 8.7867 125.6720 52.9645 39.6909 173.7921 12 P 4.1525 0.0000 0.0000 65.6533 31.0735 178.1055 13 A 3.9741 8.0988 120.0304 54.5025 18.4542 178.7884 14 I 4.2413 7.6717 117.4250 63.4822 38.1190 178.3291 15 G 3.8956 8.5554 107.0081 47.8385 0.0000 175.9618 16 I 3.7134 7.7877 122.1742 63.7784 37.0802 176.7877 17 P 4.2561 0.0000 0.0000 65.3852 31.0765 178.5149 18 A 3.9994 8.1537 119.7310 54.9486 18.2594 179.3543 19 L 3.9337 8.2057 118.9563 58.4282 42.3311 179.2874 20 L 4.1056 8.1471 118.9928 57.7684 41.5551 179.8112 21 G 3.6349 8.4574 106.0454 47.8065 0.0000 175.9896 22 S 4.1425 8.3291 117.7569 61.3477 62.9088 176.7659 23 V 3.6201 7.9701 120.9872 66.5396 31.1655 178.2503 24 T 3.9270 7.8416 114.8294 66.5106 68.1979 176.8855 25 V 3.6026 7.9849 120.2341 66.0620 31.4750 178.0525 26 I 3.6888 7.9716 119.3058 64.4258 36.9734 178.2309 27 A 4.0607 8.1266 121.4662 55.2166 18.1936 179.7484 28 I 3.7309 8.0331 118.3495 64.5780 37.1836 178.6647 29 L 4.0247 8.1976 119.9765 57.7757 41.4485 179.7645 30 V 3.6030 8.1284 118.3704 66.2442 31.4695 177.6762 31 H 4.2704 8.3557 115.8832 59.1959 28.7861 177.8651 32 L 4.0230 8.2643 120.4093 57.5568 41.1586 179.5192 33 A 4.0446 8.0399 120.1838 55.2397 18.7154 179.4284 34 I 3.7347 7.8271 118.3921 64.3904 36.9407 178.3027 35 L 3.4678 7.8272 120.1113 58.1109 41.8766 178.7846 36 S 4.3139 7.7107 112.6240 59.9152 62.9497 174.5561 37 H 4.8142 7.5281 116.7385 55.0863 29.6623 173.0687 38 T 4.6025 7.3098 108.4616 59.8287 71.7515 173.8703 39 T 4.1205 8.2174 112.1947 63.5787 69.7781 176.8838 40 W 4.4386 7.7387 119.6663 58.7336 27.9315 178.3003 41 F 4.2843 7.1493 121.9877 60.9087 38.7947 175.3340 42 P 4.0096 0.0000 0.0000 65.5469 31.1055 178.4184 43 A 4.0818 8.2214 119.4856 55.0662 17.9878 178.9536 44 Y 4.3837 8.0503 117.6370 61.0569 38.9861 178.3075 45 W 4.3712 7.7883 117.2585 59.7529 29.2367 178.0325 46 Q 4.1415 8.4607 119.0186 58.6421 27.6610 177.9348 47 G 3.5782 9.4166 109.6081 46.3419 0.0000 175.0193 48 G 3.8653 8.8710 113.7297 46.2303 0.0000 172.8896 49 V 4.2216 7.1549 112.4497 60.0040 32.6446 177.5775 50 K 4.5584 8.2692 126.6749 54.9434 33.5820 176.5657 51 K 3.7520 7.7089 119.9977 57.2513 30.9433 173.6543 52 A 4.8434 7.6868 118.4394 51.5273 20.0831 176.8955 53 A 4.1411 7.7920 121.8544 53.1170 18.9960 176.4033 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 N 8.42 4.71 0.00 2.84 2.99 0.00 0.00 5.96 6.50 0.00 0.00 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 Q 7.70 4.33 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 4 G 8.85 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.88 4.36 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.41 7.81 6 I 7.51 3.40 1.55 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.79 -0.40 0.00 0.00 7 W 7.79 5.26 0.00 3.34 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 8 T 7.98 4.24 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 1.28 0.00 0.00 9 V 7.65 4.20 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 0.71 0.00 0.00 0.94 0.00 0.00 10 V 7.88 4.15 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 1.11 0.00 0.00 0.85 0.00 0.00 11 N 8.79 4.75 0.00 2.93 2.77 0.00 0.00 6.96 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 12 P 0.00 4.15 0.00 1.90 1.46 0.00 3.83 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 13 A 8.10 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.67 4.24 2.04 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 1.61 1.18 0.95 0.00 0.00 15 G 8.56 3.90 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 0.00 0.00 0.00 16 I 7.79 3.71 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.13 0.81 0.00 0.00 17 P 0.00 4.26 0.00 2.16 2.10 0.00 3.65 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 2.26 2.13 0.00 18 A 8.15 4.00 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 0.00 0.00 19 L 8.21 3.93 0.00 1.97 1.95 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.15 4.11 0.00 1.75 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.33 4.14 0.00 4.06 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 23 V 7.97 3.62 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 1.06 0.00 0.00 1.02 0.00 0.00 24 T 7.84 3.93 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 1.23 0.00 0.00 25 V 7.98 3.60 2.24 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 1.13 0.00 0.00 1.00 0.00 0.00 26 I 7.97 3.69 2.05 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 1.48 0.67 0.93 0.00 0.00 27 A 8.13 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.73 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 0.95 0.00 0.00 29 L 8.20 4.02 0.00 1.86 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.13 3.60 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 1.02 0.00 0.00 1.00 0.00 0.00 31 H 8.36 4.27 0.00 3.56 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.26 4.02 0.00 1.73 1.73 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.04 4.04 1.38 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 34 I 7.83 3.73 1.94 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 1.39 1.01 0.64 0.00 0.00 35 L 7.83 3.47 0.00 1.06 1.64 -0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.71 4.31 0.00 4.06 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 37 H 7.53 4.81 0.00 3.17 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.31 4.60 3.26 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 0.82 0.00 0.00 39 T 8.22 4.12 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 1.21 0.00 0.00 40 W 7.74 4.44 0.00 3.53 3.35 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 0.00 41 F 7.15 4.28 0.00 1.93 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 42 P 0.00 4.01 0.00 2.12 1.98 0.00 3.54 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 43 A 8.22 4.08 1.52 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 0.00 0.00 44 Y 8.05 4.38 0.00 3.18 3.43 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 45 W 7.79 4.37 0.00 3.57 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 46 Q 8.46 4.14 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.42 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.87 3.87 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 0.00 0.00 0.00 49 V 7.15 4.22 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 0.76 0.00 0.00 0.98 0.00 0.00 50 K 8.27 4.56 0.00 1.70 1.74 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.39 7.81 51 K 7.71 3.75 0.00 1.91 1.84 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 52 A 7.69 4.84 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 53 A 7.79 4.14 1.20 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 0.00 0.00 0.00