NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.3477 8.0327 117.3787 63.6654 70.0329 175.0080 14 F 4.0256 8.7117 131.4507 59.2004 40.8137 175.4915 15 L 3.9066 8.8367 122.5903 58.7736 41.1080 178.6317 16 T 3.8727 7.3563 115.0941 66.2533 68.5553 176.1736 17 Q 3.9856 7.4140 119.2974 59.4778 28.5315 178.9654 18 V 3.4780 7.5093 120.5310 65.0206 31.0473 177.4879 19 K 3.2606 8.3461 119.8093 59.4470 31.6352 178.3462 20 E 4.0358 8.0092 117.9063 58.3223 29.5704 178.6031 21 S 4.3100 7.7913 116.1452 59.8582 63.5303 176.3093 22 L 4.0349 8.5363 121.8668 58.3903 40.2655 178.3136 23 S 4.5482 7.6452 112.5150 59.5120 62.3304 175.5502 24 S 4.2213 8.0221 116.7093 60.2625 62.8476 174.6638 25 Y 4.9597 7.6418 118.6216 57.7810 38.8227 176.4514 26 W 4.3770 8.0553 128.8761 58.9749 30.9689 177.0369 27 E 4.2684 8.2674 118.6272 58.3303 29.1185 178.3004 28 S 4.2949 8.2797 114.2377 60.7863 62.4964 175.4505 29 A 3.8308 7.2552 121.0970 55.1637 18.1581 179.2014 30 K 4.0323 7.5393 116.4229 58.9876 32.5180 179.4459 31 T 3.9836 8.2492 110.3408 63.5823 68.3686 175.5145 32 A 4.6180 7.6579 121.0172 51.7003 20.1788 177.2946 33 A 4.1614 7.3362 122.5110 55.8134 19.7286 180.4286 34 Q 4.1026 7.7392 114.1792 58.5472 28.8587 178.3438 35 N 4.6883 7.9587 118.2408 56.8354 39.2066 176.8007 36 L 4.0839 7.8265 119.8472 57.9197 42.0446 178.8804 37 Y 4.0776 8.9224 116.9099 60.8716 37.4576 178.6019 38 E 4.0842 7.8022 119.3418 58.5085 29.7549 177.9670 39 K 4.3557 8.1336 118.2888 55.3209 32.3486 176.3443 40 T 3.5380 7.9659 111.7947 66.1266 66.5774 171.1325 41 Y 3.9843 8.1529 115.6495 58.0097 37.9049 172.4249 42 L 3.7873 7.9868 120.8899 57.5042 42.1643 177.3843 43 P 4.1367 0.0000 0.0000 65.9394 31.1022 177.2874 44 A 4.2246 6.8652 118.7525 52.0285 20.6528 178.6389 45 V 3.3302 7.2546 122.9762 65.9638 31.7333 178.2621 46 D 4.3981 7.7836 118.7130 56.0207 40.8735 176.6249 47 E 4.6642 7.6498 116.5207 55.6119 30.4662 175.3041 48 K 4.7649 7.7277 119.2281 57.9158 39.5486 177.9534 49 L 4.3705 7.2587 117.2560 54.6160 41.8206 177.0132 50 R 4.6023 7.2570 124.0916 56.3059 33.8665 175.1460 51 D 4.7325 8.3698 115.7186 54.9212 43.0189 176.0004 52 L 4.5854 7.5624 118.7122 54.9714 42.2806 175.6128 53 Y 4.4815 7.6422 117.4557 58.4543 41.1578 176.1730 54 S 3.9072 8.7828 112.1574 60.1780 60.1509 171.9362 55 K 3.9334 8.4503 114.2232 57.3197 31.0858 175.2724 56 S 4.1601 7.8437 112.7190 61.0918 62.1417 176.2362 57 T 4.6558 7.0902 112.9874 62.8660 70.8439 175.6964 58 A 4.2912 8.8102 127.2849 54.8432 18.4137 180.3582 59 A 4.1117 7.9935 117.1261 55.1393 18.6053 179.1837 60 M 4.2498 8.0608 116.5702 58.5474 31.9638 177.7216 61 S 4.5138 8.1580 115.5235 57.6793 63.1292 175.1661 62 T 3.5569 8.3159 115.2950 63.3192 67.3401 173.5577 63 Y 3.9758 7.8842 121.2146 61.7940 37.5366 178.7370 64 T 3.8696 8.3922 115.4116 66.0080 68.5796 175.2234 65 G 4.0794 9.1833 105.3567 44.6824 0.0000 174.3301 66 I 4.3597 7.3823 120.2531 60.9922 38.5191 176.7041 67 F 3.4722 8.8749 122.3125 61.3210 39.3298 176.2869 68 T 4.5482 7.9693 113.1298 64.3033 69.7081 176.0408 69 D 4.3977 7.8977 119.9656 57.1862 41.1336 177.8065 70 Q 3.9143 8.8951 120.6411 58.6328 29.2947 177.6070 71 V 3.9306 7.6427 118.5456 65.0117 31.9471 177.4542 72 L 4.0212 8.4456 120.4311 58.1874 41.7535 179.0552 73 S 4.1810 7.9422 115.1348 60.9329 62.5796 176.4867 74 V 3.5683 7.5077 120.6183 65.8248 31.2238 177.4016 75 L 4.2119 7.3688 118.7734 56.4514 41.8351 176.6792 76 K 4.0017 7.9740 114.3574 58.3776 35.0964 174.2343 77 G 3.9779 9.3256 114.3432 44.6773 0.0000 172.8299 78 E 3.6294 7.9999 118.2920 56.9010 28.3520 174.1117 79 E 4.2434 7.6722 119.7886 56.0170 29.6364 176.1246 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 13 T 8.03 4.35 4.30 0.00 0.00 0.00 0.00 0.00 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 14 F 8.71 4.03 0.00 3.14 3.02 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 0.00 0.00 0.00 0.00 15 L 8.84 3.91 0.00 1.98 1.98 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.36 3.87 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 1.17 0.00 0.00 17 Q 7.41 3.99 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.56 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 18 V 7.51 3.48 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 0.99 0.00 0.00 0.91 0.00 0.00 19 K 8.35 3.26 0.00 2.01 1.83 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 20 E 8.01 4.04 0.00 2.05 1.91 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 2.27 2.49 0.00 21 S 7.79 4.31 0.00 3.84 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 22 L 8.54 4.03 0.00 1.73 1.85 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.65 4.55 0.00 3.93 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 24 S 8.02 4.22 0.00 3.80 4.08 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 0.00 0.00 0.00 0.00 25 Y 7.64 4.96 0.00 3.07 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 26 W 8.06 4.38 0.00 3.65 3.19 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 27 E 8.27 4.27 0.00 2.29 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 28 S 8.28 4.29 0.00 4.01 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 29 A 7.26 3.83 1.09 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 0.00 0.00 30 K 7.54 4.03 0.00 1.86 1.83 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.56 7.81 31 T 8.25 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 1.25 0.00 0.00 32 A 7.66 4.62 1.24 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 0.00 0.00 0.00 33 A 7.34 4.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.10 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 35 N 7.96 4.69 0.00 2.81 2.79 0.00 0.00 7.26 6.67 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 36 L 7.83 4.08 0.00 1.85 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.92 4.08 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 4.08 0.00 2.13 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 0.00 2.34 2.42 0.00 39 K 8.13 4.36 0.00 1.84 1.78 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 40 T 7.97 3.54 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 1.17 0.00 0.00 41 Y 8.15 3.98 0.00 2.85 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 L 7.99 3.79 0.00 1.96 1.65 0.91 0.86 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 43 P 0.00 4.14 0.00 2.20 2.18 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 44 A 6.87 4.22 1.07 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 45 V 7.25 3.33 1.96 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 0.63 0.00 0.00 0.88 0.00 0.00 46 D 7.78 4.40 0.00 2.57 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 47 E 7.65 4.66 0.00 1.82 1.87 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 2.13 2.13 0.00 48 K 7.73 4.76 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.50 7.81 49 L 7.26 4.37 0.00 1.70 1.63 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.26 4.60 0.00 1.95 1.90 0.00 3.14 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 51 D 8.37 4.73 0.00 2.75 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 52 L 7.56 4.59 0.00 1.67 1.89 0.97 0.92 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 53 Y 7.64 4.48 0.00 2.96 2.90 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 54 S 8.78 3.91 0.00 4.04 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 55 K 8.45 3.93 0.00 1.88 1.85 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.46 7.81 56 S 7.84 4.16 0.00 3.70 3.07 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 57 T 7.09 4.66 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 1.29 0.00 0.00 58 A 8.81 4.29 1.51 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 0.00 0.00 59 A 7.99 4.11 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 60 M 8.06 4.25 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 61 S 8.16 4.51 0.00 4.29 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 0.00 62 T 8.32 3.56 4.25 0.00 0.00 0.00 0.00 0.00 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 63 Y 7.88 3.98 0.00 3.08 3.19 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 64 T 8.39 3.87 4.32 0.00 0.00 0.00 0.00 0.00 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 65 G 9.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.38 4.36 1.53 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.74 0.00 0.00 67 F 8.87 3.47 0.00 3.28 3.15 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 0.00 68 T 7.97 4.55 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 69 D 7.90 4.40 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.90 3.91 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 71 V 7.64 3.93 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 1.02 0.00 0.00 1.03 0.00 0.00 72 L 8.45 4.02 0.00 1.90 1.69 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.94 4.18 0.00 3.96 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 74 V 7.51 3.57 2.25 0.00 0.00 0.00 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 1.03 0.00 0.00 75 L 7.37 4.21 0.00 1.97 1.70 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.97 4.00 0.00 1.67 1.64 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.24 7.81 77 G 9.33 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.00 3.63 0.00 2.00 1.95 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 2.21 2.37 0.00 79 E 7.67 4.24 0.00 2.03 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 0.00 2.43 2.37 0.00