NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3490 8.3231 115.4065 57.7129 63.6298 172.5771 3 G 3.7164 7.8253 110.0654 47.1777 0.0000 171.6348 4 T 4.5928 7.3368 113.2900 60.9247 74.9790 170.8560 5 R 4.5543 8.3279 123.3277 54.9963 32.0373 174.3466 6 Y 5.0861 8.8364 124.6193 56.8223 41.0540 174.8106 7 S 4.5815 7.8474 114.3336 56.8234 66.5300 172.5107 8 W 5.6034 9.0148 123.0941 54.8673 34.1787 174.6496 9 K 4.8475 8.8374 122.5259 55.9129 33.6189 175.5896 10 V 4.4363 8.7194 127.5132 59.6939 32.0739 174.4895 11 S 4.6639 8.5430 125.5015 56.1626 59.3696 171.9927 12 G 4.2800 7.7295 116.6227 45.7807 0.0000 171.2977 13 M 4.4122 7.4190 120.4020 54.9697 32.0669 176.2535 14 D 5.1275 8.7212 120.6728 52.1116 41.5198 175.5282 15 C 4.6418 7.4258 116.7735 57.0259 33.5047 174.5255 16 A 3.1599 7.8702 124.5884 54.6547 17.9128 180.2503 17 A 3.8254 7.6090 119.0262 55.4137 18.5774 179.1231 18 C 3.9746 7.9507 114.5219 63.0667 28.2637 175.7473 19 A 3.8738 7.8527 122.3694 55.5135 17.8309 179.5793 20 R 4.0794 8.0958 118.3398 59.0673 30.1672 178.8779 21 K 3.9769 8.3939 118.5805 59.2476 31.8966 179.5361 22 V 3.5482 8.2260 119.2124 66.0039 31.1449 177.8957 23 E 3.9569 8.6975 117.7041 59.4589 29.2321 178.7809 24 N 4.3363 8.4643 117.2708 56.1920 38.4787 177.1319 25 A 4.0054 8.1228 120.8911 55.0578 18.5730 179.6741 26 V 3.8801 8.0790 110.8035 64.2232 31.8558 178.6011 27 R 3.9015 8.3604 117.6960 59.4279 29.9104 178.1472 28 Q 4.1499 8.1639 116.5417 59.4757 28.4086 177.6387 29 L 3.9934 8.3327 121.3124 55.2383 41.4530 179.0390 30 A 5.1182 8.0399 129.5864 53.3626 18.9027 178.6379 31 G 3.9083 7.6792 103.2031 48.1635 0.0000 173.9346 32 V 3.9093 7.2477 119.9174 61.8884 31.7980 174.8829 33 N 4.7222 9.2882 122.7936 54.6273 39.5853 175.0299 34 Q 4.7081 7.9279 119.2311 54.2140 32.1414 173.8858 35 V 4.6396 8.3377 118.3426 59.9120 34.4289 175.9692 36 Q 4.3213 9.0969 125.7119 54.8807 30.7602 172.2637 37 V 4.2937 8.2081 116.8132 59.5938 32.8176 175.4005 38 L 4.5544 8.6576 131.0314 52.5521 40.8571 175.8951 39 F 4.4475 8.5914 118.1199 57.3654 38.5013 175.8845 40 A 4.1801 9.4374 129.1884 53.6890 17.6293 179.9911 41 T 4.1327 7.5529 107.6601 63.5527 68.6566 174.1949 42 E 4.0027 8.0374 121.8343 56.6057 28.7388 173.3027 43 K 5.3380 8.0013 114.2883 54.6315 36.5467 174.6630 44 L 5.0550 8.9308 121.7839 53.9882 43.7583 175.3083 45 V 4.6338 8.7413 120.9547 61.0805 34.9611 174.3213 46 V 4.6868 8.5260 126.4209 61.1994 35.2721 173.7626 47 D 5.4911 9.4229 127.5243 51.9166 42.6018 175.2751 48 A 5.0650 7.9687 125.0250 48.4296 21.7195 176.5902 49 D 4.7034 8.1838 126.9814 52.4618 40.4390 175.1315 50 N 4.9465 6.9454 118.8407 51.7576 45.7800 173.3751 51 D 5.5423 7.9250 135.0000 54.7298 43.3387 175.8842 52 I 4.6616 7.5013 115.7192 59.7621 40.1405 177.4944 53 R 3.5098 8.0930 121.7462 59.5271 29.6656 178.4668 54 A 4.0366 7.7517 118.2745 54.6131 18.4346 179.2975 55 Q 4.0238 7.6653 116.4986 58.8446 29.1492 178.1609 56 V 3.5613 8.0117 119.7704 65.9138 31.5099 177.8822 57 E 3.5527 8.0761 117.4327 59.5342 29.4727 178.8461 58 S 4.0335 7.9699 116.8114 61.1264 62.9255 176.8477 59 A 3.9536 8.1286 123.1830 55.2359 18.2091 179.6502 60 L 4.1389 8.3368 117.8824 58.0522 41.4910 179.5245 61 Q 4.2989 8.2342 120.0052 58.5395 29.0363 178.2878 62 K 4.0686 8.3171 118.4628 59.5410 32.2358 178.7988 63 A 4.1620 8.2328 120.1100 54.9807 18.7706 176.8357 64 G 3.3531 7.4669 105.9477 46.5764 0.0000 172.2695 65 Y 4.8809 7.8076 116.6620 55.9934 41.8439 175.4756 66 S 4.9514 8.2209 113.6533 56.9727 62.8562 172.9911 67 L 5.2122 8.0627 124.8213 54.2342 42.8784 176.0431 68 R 4.6931 8.2558 117.0769 54.7515 33.5951 173.2256 69 D 4.4527 8.9031 124.7301 54.3836 41.4935 176.8920 70 E 4.5150 8.0802 128.3791 55.6836 27.8261 175.9697 71 Q 3.4988 8.6782 120.5606 55.4901 29.2056 175.0550 72 A 4.5937 8.2574 120.0006 50.9835 18.0292 177.9991 73 A 3.6761 7.9256 123.4942 50.8340 17.1526 178.2437 74 E 4.2391 8.6285 114.7277 56.6712 29.9002 176.8319 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 S 8.32 4.35 0.00 3.93 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 3 G 7.83 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 0.00 0.00 0.00 4 T 7.34 4.59 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 5 R 8.33 4.55 0.00 1.68 1.72 0.00 3.33 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 6 Y 8.84 5.09 0.00 2.88 2.77 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 7 S 7.85 4.58 0.00 3.69 3.47 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 0.00 0.00 0.00 0.00 8 W 9.01 5.60 0.00 3.24 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 9 K 8.84 4.85 0.00 2.06 2.17 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.42 7.81 10 V 8.72 4.44 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 0.88 0.00 0.00 0.91 0.00 0.00 11 S 8.54 4.66 0.00 3.90 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 12 G 7.73 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 0.00 0.00 0.00 0.00 13 M 7.42 4.41 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 14 D 8.72 5.13 0.00 2.80 2.80 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 0.00 0.00 0.00 0.00 15 C 7.43 4.64 0.00 2.82 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 16 A 7.87 3.16 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 17 A 7.61 3.83 1.26 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 0.00 0.00 0.00 18 C 7.95 3.97 0.00 3.04 3.08 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 19 A 7.85 3.87 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 20 R 8.10 4.08 0.00 1.97 1.92 0.00 3.13 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 21 K 8.39 3.98 0.00 2.08 1.92 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 22 V 8.23 3.55 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 1.09 0.00 0.00 0.49 0.00 0.00 23 E 8.70 3.96 0.00 2.19 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 2.50 2.36 0.00 24 N 8.46 4.34 0.00 3.10 2.92 0.00 0.00 6.88 7.58 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 25 A 8.12 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.08 3.88 2.16 0.00 0.00 0.00 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 1.04 0.00 0.00 27 R 8.36 3.90 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 28 Q 8.16 4.15 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 29 L 8.33 3.99 0.00 1.71 1.67 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.04 5.12 1.33 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 31 G 7.68 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 0.00 0.00 0.00 32 V 7.25 3.91 2.17 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 0.78 0.00 0.00 1.02 0.00 0.00 33 N 9.29 4.72 0.00 2.68 2.88 0.00 0.00 7.18 7.65 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 34 Q 7.93 4.71 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 35 V 8.34 4.64 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 0.91 0.00 0.00 0.94 0.00 0.00 36 Q 9.10 4.32 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 37 V 8.21 4.29 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 0.68 0.00 0.00 1.03 0.00 0.00 38 L 8.66 4.55 0.00 1.71 1.60 0.75 0.96 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 39 F 8.59 4.45 0.00 3.18 2.99 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 40 A 9.44 4.18 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 41 T 7.55 4.13 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 1.16 0.00 0.00 42 E 8.04 4.00 0.00 2.01 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 0.00 2.34 2.26 0.00 43 K 8.00 5.34 0.00 2.02 1.82 0.00 1.15 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.39 7.81 44 L 8.93 5.05 0.00 1.75 1.81 0.83 0.78 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 45 V 8.74 4.63 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 0.95 0.00 0.00 0.87 0.00 0.00 46 V 8.53 4.69 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 1.13 0.00 0.00 0.95 0.00 0.00 47 D 9.42 5.49 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 5.07 1.37 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 49 D 8.18 4.70 0.00 2.78 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 50 N 6.95 4.95 0.00 2.65 2.59 0.00 0.00 7.21 8.51 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 51 D 7.93 5.54 0.00 2.85 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 52 I 7.50 4.66 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.66 0.98 0.00 0.00 53 R 8.09 3.51 0.00 1.54 1.38 0.00 2.21 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 0.00 54 A 7.75 4.04 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 55 Q 7.67 4.02 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 56 V 8.01 3.56 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 1.06 0.00 0.00 1.17 0.00 0.00 57 E 8.08 3.55 0.00 1.97 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 58 S 7.97 4.03 0.00 4.08 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 59 A 8.13 3.95 1.41 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 0.00 0.00 0.00 60 L 8.34 4.14 0.00 1.93 1.85 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.23 4.30 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 62 K 8.32 4.07 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.49 7.81 63 A 8.23 4.16 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.47 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 0.00 0.00 0.00 65 Y 7.81 4.88 0.00 3.13 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 66 S 8.22 4.95 0.00 3.88 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 67 L 8.06 5.21 0.00 1.83 1.73 0.52 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.26 4.69 0.00 1.91 1.79 0.00 3.20 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 69 D 8.90 4.45 0.00 2.75 2.58 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 70 E 8.08 4.51 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 71 Q 8.68 3.50 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.20 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 72 A 8.26 4.59 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 73 A 7.93 3.68 1.37 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 74 E 8.63 4.24 0.00 1.89 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 2.17 2.25 0.00