NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7327 8.2876 120.3923 56.0670 31.7349 174.4686 6 S 4.2114 8.1910 112.7705 58.9225 63.3490 173.0161 7 L 4.4772 7.7218 123.6629 56.7212 43.7241 178.7252 8 Q 3.9023 7.8611 118.8555 59.2392 29.0046 177.8106 9 D 4.3964 7.6769 119.7746 57.1382 40.9070 177.0683 10 P 4.3197 0.0000 0.0000 65.5767 31.3206 178.0494 11 Y 3.9497 7.9032 117.8451 60.8719 38.7941 178.2500 12 L 3.7469 8.0656 120.0643 57.5659 41.4541 179.0700 13 N 4.6221 8.5818 117.5757 56.9248 38.8672 177.2217 14 T 3.8876 8.0877 117.4498 66.4980 68.5543 176.8021 15 L 3.8526 7.6673 120.9717 57.5398 41.6431 179.6910 16 R 4.1016 8.0129 119.9546 59.0402 29.9615 178.7320 17 K 3.9532 8.2090 117.1440 59.2607 32.1426 177.7504 18 E 4.3552 8.2883 115.5164 55.2665 29.6608 176.1124 19 R 3.6779 7.4773 116.7860 57.0092 28.3237 176.8358 20 V 3.8442 7.7084 116.9227 61.9149 32.4079 174.4198 21 P 4.6033 0.0000 0.0000 62.9858 32.6510 175.7463 22 V 4.9409 9.0606 116.2992 59.7620 36.6548 174.4014 23 S 5.0472 8.8709 118.5148 56.8349 65.6983 173.2235 24 I 4.8630 8.9130 126.3756 59.7875 39.5535 174.1630 25 Y 4.8369 8.8782 125.6586 56.8538 39.7518 175.6304 26 L 4.9569 9.0042 124.0984 53.4600 43.5635 178.4007 27 V 3.6621 8.7535 114.8410 64.3605 31.5257 177.3189 28 N 4.6197 8.1818 114.9125 52.7858 37.3743 175.9235 29 G 4.0464 8.2620 108.2547 45.3217 0.0000 174.1756 30 I 4.0651 8.1976 121.4860 60.9944 38.5186 174.7567 31 K 4.6303 8.5628 126.9585 54.6300 33.7763 175.0335 32 L 4.8236 8.8816 127.4382 53.1629 44.4780 175.5565 33 Q 4.8882 9.4852 119.7971 53.8353 32.9959 176.5288 34 G 3.7818 6.8962 106.9514 45.7585 0.0000 171.1429 35 Q 4.9389 8.0417 118.8068 53.9752 32.3754 175.4300 36 I 4.3459 8.1549 123.1768 61.1345 37.5681 176.2260 37 E 4.2829 9.2382 130.3894 58.6616 30.4454 176.2900 38 S 4.6204 7.8781 111.6717 58.3111 65.0038 174.1174 39 F 5.1167 7.6819 114.6206 56.3932 39.9911 172.5974 40 D 4.5422 8.5389 119.3395 52.2862 41.6750 174.5425 41 Q 3.9461 8.7378 118.4605 58.7678 29.1033 177.7695 42 F 5.1046 9.2257 114.9903 57.1879 41.5745 174.8395 43 V 5.0459 7.9582 112.0926 59.5135 36.5441 174.3696 44 I 5.0550 8.6268 122.1177 59.5927 40.7731 174.5200 45 L 4.7318 9.3675 130.1497 53.9885 43.3660 174.7335 46 L 5.1826 8.9808 129.9370 53.1589 44.1380 175.0557 47 K 4.8753 8.8178 125.8001 53.9404 35.4627 175.1460 48 N 4.7326 8.2249 121.7730 54.6393 42.2094 176.7921 49 T 3.9770 9.1296 112.1370 65.3571 68.4352 174.5650 50 V 4.2893 7.3827 119.6584 59.5131 33.2987 174.8202 51 S 4.7185 8.6362 120.4646 58.1844 63.1232 172.9059 52 Q 4.6078 8.9676 122.6115 55.7232 32.1951 172.2221 53 M 4.7693 8.5735 120.5931 54.1608 33.7471 174.9994 54 V 4.4069 8.5443 126.5076 61.1390 34.4527 174.2499 55 Y 4.4870 8.5558 125.8537 57.3025 38.6832 176.5169 56 K 3.9917 9.2719 125.6968 59.8180 32.4038 178.9410 57 H 4.2254 8.3636 112.6352 57.9333 28.5325 175.6707 58 A 4.4869 8.1829 121.8601 52.2170 19.2519 176.3472 59 I 4.7020 7.8327 118.3935 60.2633 38.4660 175.4678 60 S 4.7339 9.0090 121.0076 60.1970 63.9063 174.4208 61 T 4.7963 7.7842 110.1061 59.2377 72.5618 172.1503 62 V 4.7119 8.4780 122.4718 61.3466 33.8749 174.9476 63 V 4.3926 8.9631 129.4783 60.4458 32.6187 173.1428 64 P 4.8090 0.0000 0.0000 62.3729 32.0502 177.9420 65 S 4.4608 8.9952 118.0778 60.7599 63.4044 174.4555 66 R 4.6754 7.3882 115.8695 53.8065 32.2084 173.1253 67 P 4.4061 0.0000 0.0000 62.9726 31.9649 176.2258 68 V 4.3619 8.1258 114.1815 59.4495 34.2051 175.0676 69 R 4.4689 8.4116 123.6270 54.8197 31.2518 176.0617 70 L 4.3135 8.4822 123.9697 54.9360 41.8906 176.2458 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 5 H 8.29 4.73 0.00 3.21 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.19 4.21 0.00 4.15 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 7 L 7.72 4.48 0.00 1.72 1.61 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.86 3.90 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 9 D 7.68 4.40 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.20 2.13 0.00 3.72 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 2.34 2.17 0.00 11 Y 7.90 3.95 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.07 3.75 0.00 0.56 0.47 0.41 0.66 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 13 N 8.58 4.62 0.00 3.25 2.90 0.00 0.00 7.19 6.78 0.00 0.00 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 T 8.09 3.89 4.22 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 1.16 0.00 0.00 15 L 7.67 3.85 0.00 1.70 1.58 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.01 4.10 0.00 2.09 2.25 0.00 3.35 0.00 0.00 3.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 17 K 8.21 3.95 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.63 7.81 18 E 8.29 4.36 0.00 2.05 1.93 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 2.27 2.24 0.00 19 R 7.48 3.68 0.00 1.92 1.94 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 20 V 7.71 3.84 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 21 P 0.00 4.60 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 9.06 4.94 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 0.95 0.00 0.00 0.95 0.00 0.00 23 S 8.87 5.05 0.00 3.78 3.42 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 24 I 8.91 4.86 1.81 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 1.22 0.74 0.92 0.00 0.00 25 Y 8.88 4.84 0.00 2.94 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 26 L 9.00 4.96 0.00 1.75 1.72 0.95 0.89 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 27 V 8.75 3.66 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 0.77 0.00 0.00 1.03 0.00 0.00 28 N 8.18 4.62 0.00 2.83 2.94 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.20 4.07 1.97 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 1.13 0.65 0.91 0.00 0.00 31 K 8.56 4.63 0.00 1.54 1.59 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 0.51 7.81 32 L 8.88 4.82 0.00 1.49 1.47 0.96 0.67 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 33 Q 9.49 4.89 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 34 G 6.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.94 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 36 I 8.15 4.35 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.13 1.00 0.00 0.00 37 E 9.24 4.28 0.00 1.97 1.98 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 2.31 2.26 0.00 38 S 7.88 4.62 0.00 3.88 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 39 F 7.68 5.12 0.00 3.27 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 40 D 8.54 4.54 0.00 2.70 2.61 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 0.00 41 Q 8.74 3.95 0.00 1.75 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 42 F 9.23 5.10 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 5.05 1.92 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 0.37 0.00 0.00 0.95 0.00 0.00 44 I 8.63 5.05 1.88 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 1.16 0.89 0.93 0.00 0.00 45 L 9.37 4.73 0.00 1.71 1.67 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.98 5.18 0.00 1.76 1.48 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.82 4.88 0.00 1.81 1.86 0.00 1.45 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.34 7.81 48 N 8.22 4.73 0.00 2.68 2.21 0.00 0.00 7.07 7.70 0.00 0.00 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 T 9.13 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 1.20 0.00 0.00 50 V 7.38 4.29 2.07 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 0.71 0.00 0.00 0.93 0.00 0.00 51 S 8.64 4.72 0.00 3.90 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 52 Q 8.97 4.61 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 53 M 8.57 4.77 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.15 0.00 54 V 8.54 4.41 2.07 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 1.03 0.00 0.00 0.92 0.00 0.00 55 Y 8.56 4.49 0.00 2.92 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.27 3.99 0.00 2.01 1.96 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.57 7.81 57 H 8.36 4.23 0.00 3.28 3.55 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.18 4.49 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 59 I 7.83 4.70 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 1.39 0.84 1.02 0.00 0.00 60 S 9.01 4.73 0.00 3.88 4.02 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 61 T 7.78 4.80 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 1.21 0.00 0.00 62 V 8.48 4.71 2.19 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 0.89 0.00 0.00 0.96 0.00 0.00 63 V 8.96 4.39 2.28 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 1.01 0.00 0.00 1.12 0.00 0.00 64 P 0.00 4.81 0.00 2.24 1.88 0.00 3.76 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 65 S 9.00 4.46 0.00 3.85 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.39 4.68 0.00 2.06 1.88 0.00 3.06 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 67 P 0.00 4.41 0.00 2.07 2.06 0.00 3.62 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 2.04 2.13 0.00 68 V 8.13 4.36 1.92 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 0.59 0.00 0.00 0.58 0.00 0.00 69 R 8.41 4.47 0.00 1.76 1.81 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 70 L 8.48 4.31 0.00 1.69 1.58 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00