NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3975 8.3049 120.3261 54.2840 34.4151 175.1436 1 N 4.5908 7.9657 127.0259 51.3268 41.6607 168.7614 2 V 4.4860 8.7846 123.7164 59.7664 35.4131 173.2389 3 P 4.5265 0.0000 0.0000 62.3754 31.8983 176.5432 4 D 4.6350 9.2318 122.6461 57.0250 42.1998 176.0553 5 M 5.2949 7.7524 116.2878 54.3099 36.2372 173.8677 6 I 5.0957 9.1241 125.1658 59.8698 41.3027 174.0164 7 L 5.2355 8.6255 127.6912 53.4855 43.7857 175.6315 8 Y 5.2644 8.3511 120.4620 54.9915 42.6294 173.7866 9 N 4.2653 8.9300 114.4029 54.8186 37.7111 172.0086 10 G 4.0400 8.0669 104.6776 44.8399 0.0000 171.5935 11 K 4.7202 9.0508 120.5568 54.7550 34.7067 175.8490 12 I 4.7351 8.6517 126.5692 59.6633 40.3534 175.0335 13 T 4.8977 8.6286 124.6338 63.0059 69.5556 174.4627 14 T 4.7077 9.1942 116.1663 59.3074 72.5139 173.7891 15 L 4.8144 8.2975 120.8077 55.1762 42.4101 176.8290 16 D 4.7413 7.8182 119.9015 51.8639 41.5052 174.4150 17 P 4.2235 0.0000 0.0000 65.9323 31.4239 178.2076 18 S 4.3354 8.3803 112.6587 60.7024 62.0136 174.8988 19 Q 4.7074 8.1895 121.3261 54.3967 30.1807 172.5679 20 P 5.0741 0.0000 0.0000 64.2800 33.0867 177.0406 21 E 5.1158 7.6979 119.1998 54.5441 32.5372 175.0003 22 V 4.7798 9.0659 119.1861 60.1312 36.4098 175.5381 23 S 5.3579 9.0534 112.8182 57.6093 64.8437 173.4318 24 A 5.0014 8.4750 122.0567 50.8938 23.1687 174.8456 25 I 5.0156 8.9169 118.5572 59.5139 42.3150 173.3919 26 A 5.2223 9.2637 129.6661 50.1827 21.8405 175.1492 27 I 4.8136 8.9165 123.7512 59.7661 39.9640 174.8215 28 T 4.7658 9.2074 124.2225 61.7103 71.1407 174.0760 29 D 4.2059 10.6100 129.8425 55.2745 39.9735 174.3946 30 G 3.9949 8.1513 104.3647 45.6053 0.0000 172.6872 31 L 4.7596 7.6792 120.0343 52.3972 44.3309 175.9346 32 I 4.2156 8.2996 123.3872 62.0166 37.3943 175.8230 33 T 4.4896 9.0311 122.7697 64.9942 70.0109 174.8825 34 A 4.7084 7.5507 120.1745 51.0717 22.6244 175.6484 35 V 4.7653 9.0967 111.5294 58.5741 35.8025 177.1771 36 G 4.0744 7.7335 110.6482 46.3333 0.0000 170.7949 37 G 4.9104 9.2231 114.0467 42.9012 0.0000 172.8740 38 D 4.4257 8.8295 118.1822 57.1631 40.5378 178.1552 39 E 4.0757 8.1895 117.4320 58.7757 29.4611 178.8127 40 L 4.1237 8.1065 120.3546 57.4459 41.5746 179.0528 41 L 3.9508 7.9123 119.1692 57.5437 41.2257 178.8748 42 N 4.4280 7.7893 115.4029 55.1614 38.5004 176.2898 43 S 4.4413 7.7709 113.9244 57.6472 64.0752 173.9921 44 A 4.3382 7.4352 126.5586 51.9361 19.5097 177.5577 45 T 4.7360 7.3537 112.8549 60.4606 71.1067 174.0265 46 E 4.1945 8.6407 118.8048 58.9824 29.9354 177.9377 47 K 4.1638 7.7613 117.2677 58.3728 32.5061 177.4401 48 T 4.1657 7.7296 109.8143 61.5514 69.3328 174.4137 49 K 4.3055 9.0799 126.8126 56.0654 33.2738 176.1799 50 K 5.2633 8.6938 123.4638 54.7554 35.6366 175.6972 51 I 4.6157 8.8786 123.6800 59.6987 41.4257 174.0466 52 D 3.6817 8.6709 127.0690 52.8823 41.2290 176.1173 53 L 3.9958 8.4282 127.7280 55.4062 41.9559 177.4542 54 K 3.8588 9.2690 117.5835 57.5537 30.0179 176.1521 55 R 4.0198 8.5070 114.5813 56.2087 28.7630 177.1743 56 K 4.2498 7.9272 118.5729 56.2960 33.5399 175.7893 57 R 4.7607 8.4207 122.1919 55.5989 31.0453 175.1034 58 A 4.8155 9.1231 128.6350 50.2449 20.8324 176.0892 59 I 4.5652 8.1680 122.7691 58.2502 40.6902 173.8374 60 P 4.3703 0.0000 0.0000 62.4672 31.7769 176.5774 61 G 3.6589 8.3466 109.6769 44.9256 0.0000 173.0664 62 L 3.9306 8.4091 123.5179 55.2097 42.0851 176.5560 63 N 4.8721 8.5196 125.3688 51.2691 39.1495 171.6953 64 D 4.8305 7.9140 121.3574 51.5521 44.6476 176.4495 65 S 4.2053 8.7869 120.1828 61.0020 63.0837 174.5602 66 H 4.6675 8.5899 116.9688 56.0092 29.0357 175.0777 67 I 4.5745 7.7445 120.2673 59.5219 40.3877 174.0443 68 H 4.5946 8.7735 124.3140 54.2510 30.7469 174.0254 69 V 3.8789 8.0376 127.4576 61.6199 31.5176 175.4453 70 I 3.8895 8.3648 129.2045 61.5618 37.1692 176.0629 71 R 4.4284 8.5066 124.5728 55.8768 31.8694 176.5856 72 G 3.7895 8.7257 106.6411 45.7579 0.0000 173.8272 73 L 4.0342 7.8959 124.3880 54.8515 41.1439 174.2795 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 0 M 8.30 4.40 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 1 N 7.97 4.59 0.00 2.72 2.70 0.00 0.00 6.59 6.79 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 2 V 8.78 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 0.89 0.00 0.00 0.93 0.00 0.00 3 P 0.00 4.53 0.00 2.08 1.97 0.00 3.88 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 4 D 9.23 4.63 0.00 2.71 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 5 M 7.75 5.29 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 6 I 9.12 5.10 1.90 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 1.24 0.59 0.94 0.00 0.00 7 L 8.63 5.24 0.00 1.66 1.58 0.93 0.39 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 8 Y 8.35 5.26 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.93 4.27 0.00 2.98 2.58 0.00 0.00 6.50 7.93 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 10 G 8.07 4.04 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 0.00 11 K 9.05 4.72 0.00 1.62 1.72 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 12 I 8.65 4.74 1.97 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 1.23 0.86 0.91 0.00 0.00 13 T 8.63 4.90 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 14 T 9.19 4.71 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 1.22 0.00 0.00 15 L 8.30 4.81 0.00 1.65 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.82 4.74 0.00 2.69 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 17 P 0.00 4.22 0.00 2.08 2.13 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 18 S 8.38 4.34 0.00 4.03 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 19 Q 8.19 4.71 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 20 P 0.00 5.07 0.00 2.15 2.30 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 21 E 7.70 5.12 0.00 1.91 1.81 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 2.21 2.31 0.00 22 V 9.07 4.78 2.29 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 0.69 0.00 0.00 1.00 0.00 0.00 23 S 9.05 5.36 0.00 3.94 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 24 A 8.48 5.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.92 5.02 1.89 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 1.17 1.45 0.93 0.00 0.00 26 A 9.26 5.22 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 27 I 8.92 4.81 1.88 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 1.24 0.67 0.97 0.00 0.00 28 T 9.21 4.77 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 1.30 0.00 0.00 29 D 10.61 4.21 0.00 2.55 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 30 G 8.15 3.99 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 0.00 0.00 0.00 31 L 7.68 4.76 0.00 1.80 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.30 4.22 1.87 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 1.42 0.74 0.92 0.00 0.00 33 T 9.03 4.49 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 34 A 7.55 4.71 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 35 V 9.10 4.77 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 0.74 0.00 0.00 0.98 0.00 0.00 36 G 7.73 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 37 G 9.22 4.91 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 0.00 0.00 0.00 38 D 8.83 4.43 0.00 2.70 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 39 E 8.19 4.08 0.00 2.14 2.20 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 2.35 2.34 0.00 40 L 8.11 4.12 0.00 1.94 1.75 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.91 3.95 0.00 1.63 1.54 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.79 4.43 0.00 2.76 2.86 0.00 0.00 6.98 8.91 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 43 S 7.77 4.44 0.00 4.02 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 44 A 7.44 4.34 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 45 T 7.35 4.74 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 1.20 0.00 0.00 46 E 8.64 4.19 0.00 1.98 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 2.29 2.32 0.00 47 K 7.76 4.16 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.37 7.81 48 T 7.73 4.17 4.28 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 0.00 0.00 0.00 1.34 0.00 0.00 49 K 9.08 4.31 0.00 1.89 1.79 0.00 1.49 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.48 7.81 50 K 8.69 5.26 0.00 1.64 1.80 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.50 7.81 51 I 8.88 4.62 1.89 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 1.13 1.02 0.87 0.00 0.00 52 D 8.67 3.68 0.00 2.46 2.43 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 53 L 8.43 4.00 0.00 1.75 1.61 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.27 3.86 0.00 1.75 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.52 7.81 55 R 8.51 4.02 0.00 1.91 2.10 0.00 3.56 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 56 K 7.93 4.25 0.00 1.70 1.70 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.52 7.81 57 R 8.42 4.76 0.00 1.81 1.81 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 58 A 9.12 4.82 1.19 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 0.00 0.00 0.00 59 I 8.17 4.57 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 1.47 0.71 0.91 0.00 0.00 60 P 0.00 4.37 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 G 8.35 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.41 3.93 0.00 1.59 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.52 4.87 0.00 2.65 2.68 0.00 0.00 6.91 8.47 0.00 0.00 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 D 7.91 4.83 0.00 2.74 2.44 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 65 S 8.79 4.21 0.00 3.93 3.94 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 0.00 0.00 0.00 0.00 66 H 8.59 4.67 0.00 3.21 3.40 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.74 4.57 1.89 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 1.21 0.64 0.93 0.00 0.00 68 H 8.77 4.59 0.00 3.08 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.04 3.88 2.02 0.00 0.00 0.00 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 0.95 0.00 0.00 70 I 8.36 3.89 1.89 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 1.47 0.72 0.93 0.00 0.00 71 R 8.51 4.43 0.00 1.80 1.84 0.00 3.41 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 72 G 8.73 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 0.00 0.00 0.00 73 L 7.90 4.03 0.00 1.82 1.78 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00