NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 V 4.0862 8.0549 120.3951 62.4205 33.5533 176.0521 14 N 4.5336 8.2239 115.7363 51.8159 39.4965 172.7666 15 P 5.0701 0.0000 0.0000 60.7313 35.0406 172.9285 16 K 4.5858 8.1554 118.0535 54.9943 35.8154 173.1573 17 P 4.7395 0.0000 0.0000 62.0674 31.7800 176.8175 18 F 4.4146 8.9277 125.3486 59.8435 39.9679 175.5155 19 L 4.2812 7.6466 119.0850 54.2863 42.1102 177.5764 20 K 3.7362 7.6881 121.7832 59.6287 32.0680 178.8780 21 G 3.6967 8.0537 105.5121 48.7421 0.0000 173.9538 22 L 4.0584 7.7117 117.0348 54.8673 41.7051 176.8703 23 V 4.0089 7.4120 120.4036 64.3196 31.6880 175.7459 24 N 4.4714 9.0780 123.7822 53.7610 36.8020 173.6360 25 H 4.8348 7.9592 115.8667 54.0592 31.5009 174.5504 26 R 4.5562 8.4937 121.6542 56.5765 30.9053 175.5794 27 V 4.9668 9.3074 119.8468 59.5386 36.2627 174.8221 28 G 4.3596 9.3997 108.8498 44.5608 0.0000 172.1032 29 V 4.6119 9.1514 126.4459 61.1789 33.5712 174.1260 30 K 4.5125 8.6016 130.2934 54.7200 34.0515 175.8829 31 L 4.9969 7.5747 126.6049 53.1514 42.6540 177.3493 32 K 4.1706 8.3051 119.7342 59.0529 32.4288 177.9884 33 F 4.8269 7.3590 113.1202 56.4369 40.3802 176.6077 34 N 4.7140 10.0865 117.6783 53.4652 35.3639 176.0683 35 S 4.6346 8.0933 112.2916 58.3601 63.0952 174.2770 36 T 4.8004 7.8674 117.0517 63.7184 70.2344 174.0754 37 E 4.7174 9.4668 127.1662 54.4699 33.5792 173.7604 38 Y 5.2324 9.1308 123.9080 56.6074 40.2017 174.8721 39 R 5.0024 9.0066 123.9457 54.2743 33.1780 176.9617 40 G 3.8246 7.8694 108.1767 46.5041 0.0000 170.8245 41 T 4.8051 7.4408 115.9189 61.9994 70.7752 174.7888 42 L 4.2691 8.7097 129.0011 54.2290 40.9259 176.7795 43 V 3.7427 8.6186 123.8185 64.8521 31.2610 176.2185 44 S 4.8233 7.5480 111.5670 57.6390 67.7465 171.9039 45 T 5.3731 7.7491 114.1338 65.3553 72.2654 172.4611 46 D 4.3707 8.9520 116.6573 54.7616 41.2627 178.5756 47 N 3.9932 8.6185 120.4732 56.5557 39.0899 175.5240 48 Y 3.9733 7.8531 112.4370 58.7967 37.8776 176.4607 49 F 3.6842 8.7316 117.6771 58.4494 37.2576 174.1584 50 N 5.1693 8.3727 118.3689 51.9983 40.1172 174.2115 51 L 5.1457 8.5722 123.3329 53.9871 44.8228 175.0254 52 Q 4.4030 8.4683 121.7459 54.3440 30.8820 173.8351 53 L 5.0662 8.4789 129.0015 53.1980 45.1555 174.3353 54 N 5.1013 8.6937 123.6667 52.0146 41.6882 173.9221 55 E 3.7102 8.2717 122.7011 57.4236 27.3994 175.3016 56 A 4.5736 8.1062 120.9986 51.6339 20.4107 177.5444 57 E 4.9268 9.3557 124.8213 54.3324 32.3539 174.4690 58 E 4.6436 8.6837 129.2230 55.9598 31.0364 175.0101 59 F 5.1027 9.7169 126.7310 55.5753 42.3903 174.5816 60 V 4.3557 8.7368 123.4384 60.9747 33.9083 175.1576 61 A 3.8792 9.1777 132.6506 53.3447 16.3808 176.8936 62 G 4.0572 8.4616 103.8635 48.2368 0.0000 174.7144 63 V 4.4769 7.6385 117.4673 60.2820 34.6096 174.4328 64 S 3.9170 8.5168 121.3435 58.5263 62.7454 173.4202 65 H 4.7202 8.8921 125.2459 55.7940 29.4455 173.5119 66 G 3.7952 7.7985 106.5759 44.5675 0.0000 173.1496 67 T 4.7982 8.0710 113.7116 61.6032 71.7089 173.3445 68 L 4.8534 9.7152 124.9186 51.5578 44.6394 177.8357 69 G 4.2347 8.6764 110.6182 46.2757 0.0000 175.7290 70 E 5.0146 9.0842 124.5133 55.0951 30.3515 174.3492 71 I 4.6508 8.4455 117.1124 59.0575 41.1366 174.4179 72 F 5.0383 9.0051 123.0643 56.2229 40.2161 175.1940 73 I 4.4521 8.7787 125.5339 60.1219 39.6773 175.0417 74 R 4.8879 8.4283 125.1323 55.3199 32.1761 177.9696 75 S 4.3502 9.5218 120.7894 62.0041 62.6659 174.9396 76 N 4.5504 8.3339 117.2808 56.4540 38.5615 176.0356 77 N 4.5583 7.9665 113.0897 54.3148 38.8457 174.6864 78 V 4.4451 8.4631 120.6524 61.4238 32.4059 175.0270 79 L 4.2686 8.8066 131.1958 57.3090 42.0648 176.0598 80 Y 5.0267 7.1535 114.4973 56.1766 41.0076 172.4093 81 I 5.3653 8.8013 121.4419 59.7748 40.0774 174.9895 82 R 4.7763 9.1132 121.4777 54.4335 33.5956 173.3708 83 E 4.5504 8.6174 121.1429 55.5460 30.1490 176.4286 84 L 4.5531 9.8495 132.1810 54.3221 44.0339 174.6731 85 P 4.6672 0.0000 0.0000 62.4434 33.2205 175.5987 86 N 4.5080 8.4544 114.9322 53.0912 37.5692 174.9861 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 V 8.05 4.09 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 1.00 0.00 0.00 0.94 0.00 0.00 14 N 8.22 4.53 0.00 2.82 2.86 0.00 0.00 6.71 7.13 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 15 P 0.00 5.07 0.00 2.15 2.00 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 16 K 8.16 4.59 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.48 7.81 17 P 0.00 4.74 0.00 2.23 2.24 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 18 F 8.93 4.41 0.00 3.01 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 19 L 7.65 4.28 0.00 1.55 1.47 -0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.69 3.74 0.00 1.99 1.77 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 21 G 8.05 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.71 4.06 0.00 1.66 1.65 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.41 4.01 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 0.77 0.00 0.00 0.95 0.00 0.00 24 N 9.08 4.47 0.00 2.87 2.92 0.00 0.00 6.99 7.72 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 25 H 7.96 4.83 0.00 3.31 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.49 4.56 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 27 V 9.31 4.97 2.22 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 0.76 0.00 0.00 0.94 0.00 0.00 28 G 9.40 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 0.00 0.00 0.00 0.00 29 V 9.15 4.61 2.22 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 0.99 0.00 0.00 0.99 0.00 0.00 30 K 8.60 4.51 0.00 1.35 0.74 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.74 1.08 7.81 31 L 7.57 5.00 0.00 1.09 0.89 0.66 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.31 4.17 0.00 1.72 1.88 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 33 F 7.36 4.83 0.00 3.09 3.04 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 34 N 10.09 4.71 0.00 2.93 2.91 0.00 0.00 6.76 7.57 0.00 0.00 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 8.09 4.63 0.00 3.82 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 36 T 7.87 4.80 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 0.75 0.00 0.00 37 E 9.47 4.72 0.00 1.82 1.67 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 0.00 2.11 2.27 0.00 38 Y 9.13 5.23 0.00 2.99 2.81 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 39 R 9.01 5.00 0.00 1.92 1.82 0.00 2.21 0.00 0.00 2.75 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 40 G 7.87 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 41 T 7.44 4.81 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 1.22 0.00 0.00 42 L 8.71 4.27 0.00 1.76 1.76 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.62 3.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 44 S 7.55 4.82 0.00 3.88 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 45 T 7.75 5.37 4.20 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 1.16 0.00 0.00 46 D 8.95 4.37 0.00 2.73 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 47 N 8.62 3.99 0.00 2.93 2.97 0.00 0.00 7.07 7.46 0.00 0.00 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 Y 7.85 3.97 0.00 3.37 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 3.68 0.00 3.11 3.22 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 50 N 8.37 5.17 0.00 3.14 2.84 0.00 0.00 6.50 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.57 5.15 0.00 1.64 1.69 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.47 4.40 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 53 L 8.48 5.07 0.00 1.66 1.36 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.69 5.10 0.00 2.80 2.57 0.00 0.00 7.13 6.94 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 55 E 8.27 3.71 0.00 2.16 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 2.26 2.23 0.00 56 A 8.11 4.57 1.32 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 0.00 0.00 0.00 57 E 9.36 4.93 0.00 2.17 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 1.91 2.27 0.00 58 E 8.68 4.64 0.00 2.24 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 2.24 2.19 0.00 59 F 9.72 5.10 0.00 3.06 2.87 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 60 V 8.74 4.36 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.56 0.00 0.00 61 A 9.18 3.88 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 62 G 8.46 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.64 4.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.07 0.00 0.00 64 S 8.52 3.92 0.00 3.48 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 4.72 0.00 3.11 3.21 0.00 5.69 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 66 G 7.80 3.80 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 0.00 0.00 0.00 67 T 8.07 4.80 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 1.29 0.00 0.00 68 L 9.72 4.85 0.00 1.49 1.54 0.98 0.90 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 69 G 8.68 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 0.00 0.00 0.00 0.00 70 E 9.08 5.01 0.00 1.92 1.79 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 2.26 2.26 0.00 71 I 8.45 4.65 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.81 0.00 0.00 72 F 9.01 5.04 0.00 2.80 3.04 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 73 I 8.78 4.45 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.97 0.00 0.00 74 R 8.43 4.89 0.00 1.79 1.89 0.00 3.62 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 75 S 9.52 4.35 0.00 3.67 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 76 N 8.33 4.55 0.00 2.77 2.97 0.00 0.00 6.93 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.97 4.56 0.00 2.94 2.94 0.00 0.00 6.68 7.56 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 78 V 8.46 4.45 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 0.87 0.00 0.00 1.14 0.00 0.00 79 L 8.81 4.27 0.00 1.50 1.47 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.15 5.03 0.00 3.07 3.04 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 81 I 8.80 5.37 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 1.04 0.00 0.00 82 R 9.11 4.78 0.00 1.82 2.03 0.00 2.79 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 83 E 8.62 4.55 0.00 1.96 1.86 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 2.24 2.32 0.00 84 L 9.85 4.55 0.00 1.60 1.51 0.94 0.94 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 85 P 0.00 4.67 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 86 N 8.45 4.51 0.00 2.84 2.83 0.00 0.00 5.87 7.56 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