NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3665 8.1744 117.3775 63.0208 70.8187 173.4490 2 R 4.6113 7.8196 120.9150 55.4825 31.9901 173.7556 3 G 3.8093 8.9417 103.6543 45.3919 0.0000 174.7415 4 S 4.5204 8.8127 120.4528 55.7505 63.1762 172.5290 5 D 4.2299 8.4231 125.0491 55.9832 41.4716 176.1533 6 I 4.3586 6.9557 119.3169 61.8867 37.5734 175.4764 7 S 4.6657 7.7435 111.0036 58.3847 63.2327 174.8901 8 K 4.3308 7.8528 116.6342 55.8012 30.3315 176.7438 9 T 4.4939 7.1962 113.3642 60.3879 69.6680 174.8069 10 C 4.6449 8.3507 124.1414 56.5283 41.6884 172.1548 11 C 5.0699 7.9521 116.7046 56.6091 43.4102 172.5116 12 F 4.8420 7.8893 117.8531 59.2002 47.5608 174.8916 13 Q 3.8555 7.6108 120.0426 55.6135 29.3910 175.3910 14 Y 5.0941 7.8923 118.0887 56.3069 40.7328 175.7024 15 S 4.4737 8.4063 121.5116 58.6610 63.8721 174.4439 16 H 4.7149 8.0483 123.8267 52.7792 28.9827 172.8143 17 K 3.7182 6.2137 117.7777 54.0537 35.9220 173.6520 18 P 3.6604 0.0000 0.0000 61.2948 31.1085 176.1188 19 L 3.9477 7.6770 125.7463 53.5961 42.8952 174.7052 20 P 4.3492 0.0000 0.0000 62.3823 31.2168 176.8783 21 W 4.4529 9.0052 125.1410 59.8132 29.2560 178.6503 22 T 3.9771 8.2334 107.4485 63.9695 68.1342 174.7050 23 W 4.9602 8.9225 119.8684 56.1970 29.6766 175.4747 24 V 4.4580 7.7776 118.9252 61.8435 32.0610 174.0953 25 R 4.6584 9.2533 124.3402 57.1481 32.5437 175.6388 26 S 4.7781 7.6383 113.4717 58.4513 66.7319 170.1071 27 Y 5.1726 7.7844 117.4202 58.1481 41.1510 173.8795 28 E 4.2185 8.4066 113.5063 55.8125 32.8600 175.6612 29 F 4.5309 8.8202 125.6199 57.5619 40.7576 175.0771 30 T 4.2381 8.3316 115.3513 61.5295 69.8633 173.3457 31 S 4.5170 8.3962 116.6812 57.5432 62.7084 173.2136 32 N 4.5538 8.4298 118.5880 55.3300 38.7198 177.8796 33 S 4.2547 7.9944 111.7509 60.7243 62.8187 175.0940 34 C 4.3494 7.2128 114.0546 57.4289 40.2862 174.0979 35 S 4.1055 8.3913 117.4430 59.7623 62.8710 174.6537 36 Q 4.3035 7.3983 120.2803 53.4759 29.3824 173.3872 37 R 4.0620 8.3601 122.2476 56.2787 30.9846 176.1757 38 A 4.4653 9.5838 124.0434 50.6307 23.1406 175.7854 39 V 3.4374 7.6766 120.3030 62.0967 33.5261 174.9258 40 I 4.8427 7.9494 123.5619 59.5353 41.5842 174.3467 41 F 5.6386 9.5144 125.5624 56.2637 41.5192 174.6904 42 T 4.8942 9.6859 121.8842 62.7045 70.6456 174.7875 43 T 4.8273 7.9837 115.1757 60.4001 71.5907 175.1747 44 K 4.2110 9.3248 120.8425 58.5652 32.2115 178.4773 45 R 3.8114 7.6685 117.5968 57.2349 30.2397 176.8449 46 G 3.8249 7.8956 104.1585 45.4217 0.0000 172.9642 47 K 4.3183 7.5398 120.4703 54.1907 32.3553 175.6213 48 K 4.5349 8.5329 126.8588 56.0520 32.9173 176.5210 49 V 4.4725 8.8947 124.1820 61.4110 33.7240 174.4737 50 C 5.1322 8.7448 124.5403 57.2280 38.1719 172.2213 51 T 4.8378 9.1549 110.9535 61.6827 71.0971 171.5288 52 H 4.7718 8.3844 118.4940 53.5193 30.0818 175.1927 53 P 4.2365 0.0000 0.0000 65.1527 31.9252 177.8882 54 R 3.9081 7.9182 118.8178 59.0689 30.4815 176.8974 55 K 3.9282 7.3368 115.8418 56.9608 32.7307 177.8079 56 K 3.9761 9.0419 123.8475 59.2832 32.1100 179.0159 57 W 4.4454 8.4135 116.5220 59.9263 27.6507 178.4164 58 V 2.2371 6.5169 118.1742 65.3239 30.8298 178.0829 59 Q 3.9487 7.7370 117.2243 58.7776 28.5530 178.7503 60 K 4.1436 8.0662 119.7137 59.3669 31.6114 178.9936 61 Y 4.0344 7.8831 116.8155 60.6765 37.6248 178.1190 62 I 3.2442 8.0542 120.9172 64.5073 37.0337 178.7220 63 S 4.0804 7.5465 113.9809 61.3349 62.6251 176.7502 64 L 4.0323 7.5527 120.5031 57.7970 41.6292 178.8391 65 L 4.3459 8.4151 117.9606 56.6740 42.0837 177.8599 66 K 4.3277 7.4535 114.4723 56.1496 35.7655 173.9304 67 T 4.5439 8.5374 122.3572 61.6900 69.8346 174.3366 68 P 4.7058 0.0000 0.0000 62.0433 29.7889 176.4050 69 K 4.6225 7.9840 130.8079 57.1143 32.8356 177.2507 70 Q 4.5470 7.8802 118.3261 55.0754 31.6670 174.6534 71 L 4.2807 8.5459 123.9563 54.9615 41.8786 176.3388 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 T 8.17 4.37 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 1.22 0.00 0.00 2 R 7.82 4.61 0.00 1.78 1.84 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 3 G 8.94 3.81 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 0.00 0.00 0.00 4 S 8.81 4.52 0.00 3.81 3.71 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 D 8.42 4.23 0.00 2.65 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 6 I 6.96 4.36 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 1.18 0.69 0.91 0.00 0.00 7 S 7.74 4.67 0.00 4.04 3.81 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 8 K 7.85 4.33 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.41 7.81 9 T 7.20 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 1.27 0.00 0.00 10 C 8.35 4.64 0.00 2.96 2.93 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 11 C 7.95 5.07 0.00 2.96 3.09 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 0.00 0.00 0.00 0.00 12 F 7.89 4.84 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 3.86 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 14 Y 7.89 5.09 0.00 2.97 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 15 S 8.41 4.47 0.00 4.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.05 4.71 0.00 3.12 3.15 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 6.21 3.72 0.00 1.47 1.35 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.06 1.15 7.81 18 P 0.00 3.66 0.00 2.22 2.08 0.00 3.08 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 19 L 7.68 3.95 0.00 1.51 1.54 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.35 0.00 2.09 2.07 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.80 0.00 21 W 9.01 4.45 0.00 3.43 3.34 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 22 T 8.23 3.98 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 1.23 0.00 0.00 23 W 8.92 4.96 0.00 3.49 3.20 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 24 V 7.78 4.46 2.26 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 0.75 0.00 0.00 0.81 0.00 0.00 25 R 9.25 4.66 0.00 1.86 2.10 0.00 3.38 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 S 7.64 4.78 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 5.17 0.00 3.28 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 28 E 8.41 4.22 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 29 F 8.82 4.53 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.33 4.24 4.29 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 1.34 0.00 0.00 31 S 8.40 4.52 0.00 3.85 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 32 N 8.43 4.55 0.00 2.76 2.81 0.00 0.00 6.40 7.48 0.00 0.00 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 S 7.99 4.25 0.00 3.82 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 34 C 7.21 4.35 0.00 3.13 2.96 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 35 S 8.39 4.11 0.00 3.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.40 4.30 0.00 1.70 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.23 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 37 R 8.36 4.06 0.00 1.91 2.06 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 38 A 9.58 4.47 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.68 3.44 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 -0.05 0.00 0.00 40 I 7.95 4.84 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.95 0.00 0.00 41 F 9.51 5.64 0.00 3.02 2.92 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 42 T 9.69 4.89 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 1.25 0.00 0.00 43 T 7.98 4.83 4.36 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 1.33 0.00 0.00 44 K 9.32 4.21 0.00 1.68 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.56 1.54 7.81 45 R 7.67 3.81 0.00 1.38 1.77 0.00 2.69 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 46 G 7.90 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 47 K 7.54 4.32 0.00 1.82 1.70 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 48 K 8.53 4.53 0.00 1.80 1.75 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 49 V 8.89 4.47 2.35 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 1.04 0.00 0.00 1.01 0.00 0.00 50 C 8.74 5.13 0.00 3.08 3.11 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 0.00 51 T 9.15 4.84 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 52 H 8.38 4.77 0.00 2.95 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.24 0.00 2.23 2.02 0.00 3.58 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 54 R 7.92 3.91 0.00 1.68 1.91 0.00 3.20 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 55 K 7.34 3.93 0.00 2.03 1.83 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.81 1.73 7.81 56 K 9.04 3.98 0.00 1.85 1.94 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.50 7.81 57 W 8.41 4.45 0.00 3.57 3.36 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 58 V 6.52 2.24 1.82 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 0.81 0.00 0.00 -0.12 0.00 0.00 59 Q 7.74 3.95 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 60 K 8.07 4.14 0.00 2.30 2.07 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.55 7.81 61 Y 7.88 4.03 0.00 2.40 1.50 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 0.00 0.00 0.00 0.00 62 I 8.05 3.24 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.16 0.00 0.00 63 S 7.55 4.08 0.00 3.97 3.91 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 64 L 7.55 4.03 0.00 2.04 1.37 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.42 4.35 0.00 1.87 2.03 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.45 4.33 0.00 1.90 2.05 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 67 T 8.54 4.54 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 1.24 0.00 0.00 68 P 0.00 4.71 0.00 2.25 2.25 0.00 3.76 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 2.05 0.00 69 K 7.98 4.62 0.00 1.87 1.90 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.40 7.81 70 Q 7.88 4.55 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 71 L 8.55 4.28 0.00 1.65 1.55 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00