NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2426 8.2649 123.5791 52.1107 20.5430 177.7309 2 K 4.1789 7.7020 112.8423 55.4680 33.4582 173.1556 3 Q 4.6704 8.8799 118.9302 54.2080 32.4415 174.6955 4 D 4.1793 8.0642 117.6760 52.4180 43.9856 175.4419 5 Y 4.0984 6.3833 122.7442 61.7903 37.9177 178.4971 6 Y 4.4076 7.8380 117.8840 60.4864 37.9174 178.2509 7 E 4.2017 8.1147 119.1079 58.2385 29.8400 177.6763 8 I 3.6766 8.6448 119.8712 64.0254 37.3720 177.8337 9 L 4.5633 8.1302 117.9675 55.6946 41.9879 176.9649 10 G 4.0810 7.7728 104.0471 46.2438 0.0000 174.1144 11 V 4.0552 8.1132 120.1649 60.8854 31.7911 175.2936 12 S 4.2034 8.8680 122.1769 58.2662 62.6447 175.0734 13 K 3.3186 8.6504 125.2117 59.4909 31.9987 176.9249 14 T 4.6503 7.5020 108.2099 60.8299 69.8977 176.2638 15 A 4.5851 9.3871 124.5595 52.6302 18.8922 175.3585 16 E 4.4716 9.6055 116.9269 55.6741 31.4764 176.7058 17 E 3.9734 8.9185 113.7356 59.2289 29.9358 178.0406 18 R 3.6999 8.3497 112.9709 60.1511 28.8629 177.5032 19 E 3.4867 8.4260 118.2023 59.0669 29.1816 179.7038 20 I 3.8383 7.3056 119.1739 63.9523 36.7333 178.0446 21 R 4.3501 8.8307 117.1518 57.6263 29.8519 178.4871 22 K 3.8899 8.8838 121.6518 59.0288 32.3958 178.4617 23 A 4.1381 9.0104 122.0162 54.6406 18.1551 178.9007 24 Y 4.4035 7.6388 118.6865 60.5120 39.2794 177.3741 25 K 3.7927 7.5954 119.2056 58.2636 32.3023 178.8985 26 R 3.8673 7.8472 118.4610 59.6302 30.4047 178.5742 27 L 4.1562 7.5847 118.6573 58.2786 40.6955 178.9443 28 A 3.7940 8.6325 122.6953 54.9312 18.0867 179.4152 29 M 3.9153 7.5814 114.5266 57.8211 31.3644 178.2260 30 K 3.9487 7.1456 116.5793 57.3375 33.0532 177.3262 31 Y 5.0066 7.4046 116.8313 58.4140 39.2330 176.6935 32 H 4.8692 8.4442 116.9486 53.2534 30.2027 174.9242 33 P 4.7526 0.0000 0.0000 63.3045 29.3265 175.5605 34 D 4.8417 8.0219 119.4495 55.6010 43.3334 177.2776 35 R 4.6332 7.8937 110.9039 56.2078 31.4687 176.7232 36 N 4.8537 7.8391 114.3250 56.6719 38.6569 176.0611 37 Q 4.4500 8.1599 114.0821 56.4579 28.7497 176.6417 38 G 4.1020 9.2806 105.2472 44.7052 0.0000 172.9413 39 D 4.8915 7.5943 119.6925 54.0880 42.3722 176.3587 40 K 4.2040 7.8732 125.0413 57.4234 32.8659 179.1307 41 E 4.5083 8.2496 116.1419 59.0719 29.1589 178.0198 42 A 3.8872 7.6415 120.6436 53.0895 18.9708 178.1612 43 E 2.5400 8.8413 116.8630 59.0527 29.0488 178.5367 44 A 3.9502 7.6044 119.6253 55.4493 18.2660 179.1577 45 K 3.6021 7.3973 117.5774 59.7645 31.9842 178.8645 46 F 4.7620 8.9445 118.9810 60.5932 38.6492 177.4926 47 K 4.0742 8.0631 117.3485 59.1045 32.6544 178.4738 48 E 3.8556 8.9702 120.2604 59.3268 29.4936 179.1882 49 I 3.6555 7.2495 119.5456 63.9255 37.3525 177.9756 50 K 2.5772 6.6749 120.1830 59.3255 31.9189 177.9969 51 E 3.8485 8.8688 119.8532 59.3384 29.3115 178.4785 52 A 3.7548 7.6129 120.7168 55.2581 17.3860 179.3376 53 Y 4.1918 7.5444 115.5639 61.5947 37.8175 178.2388 54 E 4.5966 7.9477 118.2023 59.1221 29.5165 179.6747 55 V 3.1142 6.9647 117.4473 63.7635 32.5251 177.5013 56 L 4.3955 8.0674 121.2783 55.4510 42.0167 176.5158 57 T 4.4667 9.0508 108.8021 61.4612 69.4573 175.0182 58 D 4.5134 8.2041 121.5942 53.2826 44.5024 174.2987 59 S 4.0575 8.9447 123.9594 62.2565 62.9815 176.7093 60 Q 4.0435 8.0370 121.3032 58.7285 28.8381 178.1098 61 K 4.2386 7.8676 119.4359 59.4894 32.5583 179.4332 62 R 4.7808 9.0463 117.6715 58.3227 29.2130 178.1624 63 A 4.4740 8.0564 121.4237 52.8016 19.2808 178.8091 64 A 4.2602 7.8432 119.3323 55.2245 19.3583 179.3910 65 Y 3.8737 8.9456 115.6747 60.7450 37.3282 178.0619 66 D 4.1618 7.9790 119.2735 55.7318 38.8240 178.0134 67 Q 4.8425 7.7401 115.1221 54.7737 29.5570 174.6620 68 Y 3.2310 9.7078 114.8174 58.9862 35.8181 171.0590 69 G 3.9508 8.1853 103.5690 45.0847 0.0000 174.3920 70 H 4.6726 8.8522 111.3831 56.0426 28.5567 177.1484 71 A 3.5468 7.8160 123.9920 55.0055 18.5457 180.0455 72 A 3.8048 8.1770 117.6188 54.3820 18.7176 178.0424 73 F 4.3907 7.6066 112.4381 56.6332 42.1525 177.0468 74 E 3.6803 9.0073 120.4563 56.4193 27.7269 174.3379 75 Q 4.0563 8.9215 123.3111 57.7831 29.3614 176.0113 76 G 3.8512 10.3109 111.7067 48.2040 0.0000 173.7198 77 G 3.4274 8.2263 112.8081 44.5325 0.0000 172.9405 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 A 8.26 4.24 1.30 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 0.00 0.00 0.00 2 K 7.70 4.18 0.00 1.86 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.56 7.81 3 Q 8.88 4.67 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 4 D 8.06 4.18 0.00 2.72 2.51 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 5 Y 6.38 4.10 0.00 2.52 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 6 Y 7.84 4.41 0.00 3.23 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.20 0.00 2.00 2.15 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 2.35 2.43 0.00 8 I 8.64 3.68 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.86 0.00 0.00 9 L 8.13 4.56 0.00 1.75 1.99 0.91 0.88 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 10 G 7.77 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 11 V 8.11 4.06 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 1.32 0.00 0.00 1.12 0.00 0.00 12 S 8.87 4.20 0.00 3.94 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 13 K 8.65 3.32 0.00 1.52 1.85 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 14 T 7.50 4.65 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 1.11 0.00 0.00 15 A 9.39 4.59 1.45 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 0.00 0.00 16 E 9.61 4.47 0.00 1.98 1.70 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 2.22 2.39 0.00 17 E 8.92 3.97 0.00 1.97 1.88 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 2.24 2.18 0.00 18 R 8.35 3.70 0.00 2.09 2.07 0.00 3.09 0.00 0.00 3.41 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 19 E 8.43 3.49 0.00 2.48 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 0.00 2.45 2.48 0.00 20 I 7.31 3.84 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.09 0.69 0.00 0.00 21 R 8.83 4.35 0.00 2.03 2.26 0.00 2.82 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 22 K 8.88 3.89 0.00 1.80 1.97 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.53 7.81 23 A 9.01 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 4.40 0.00 3.25 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 25 K 7.60 3.79 0.00 1.61 2.05 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.58 7.81 26 R 7.85 3.87 0.00 2.17 1.95 0.00 3.33 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 27 L 7.58 4.16 0.00 2.23 2.03 1.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.63 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.58 3.92 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 30 K 7.15 3.95 0.00 1.66 1.52 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.34 7.81 31 Y 7.40 5.01 0.00 3.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.87 0.00 3.30 3.43 0.00 5.54 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.75 0.00 2.14 2.13 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 34 D 8.02 4.84 0.00 2.85 2.84 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 0.00 0.00 0.00 35 R 7.89 4.63 0.00 2.22 2.23 0.00 3.19 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 36 N 7.84 4.85 0.00 2.97 3.10 0.00 0.00 7.26 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.16 4.45 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 38 G 9.28 4.10 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 0.00 0.00 0.00 39 D 7.59 4.89 0.00 2.71 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 40 K 7.87 4.20 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.43 7.81 41 E 8.25 4.51 0.00 1.99 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 0.00 2.33 2.25 0.00 42 A 7.64 3.89 1.04 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 0.00 0.00 43 E 8.84 2.54 0.00 1.94 1.75 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 2.25 2.37 0.00 44 A 7.60 3.95 1.20 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 0.00 0.00 45 K 7.40 3.60 0.00 1.63 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.55 7.81 46 F 8.94 4.76 0.00 3.27 3.24 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 47 K 8.06 4.07 0.00 1.95 2.10 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 48 E 8.97 3.86 0.00 1.83 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 2.43 0.00 49 I 7.25 3.66 1.52 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.36 0.00 0.00 50 K 6.67 2.58 0.00 1.50 1.68 0.00 2.01 0.00 0.00 2.08 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.45 7.81 51 E 8.87 3.85 0.00 1.82 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 0.00 2.23 2.24 0.00 52 A 7.61 3.75 1.23 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 53 Y 7.54 4.19 0.00 2.93 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 54 E 7.95 4.60 0.00 1.74 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 2.33 2.47 0.00 55 V 6.96 3.11 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 -0.53 0.00 0.00 -1.75 0.00 0.00 56 L 8.07 4.40 0.00 1.71 1.60 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.05 4.47 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 1.13 0.00 0.00 58 D 8.20 4.51 0.00 2.68 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 59 S 8.94 4.06 0.00 3.90 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 60 Q 8.04 4.04 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 61 K 7.87 4.24 0.00 1.87 1.61 0.00 1.84 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.54 7.81 62 R 9.05 4.78 0.00 2.18 2.42 0.00 3.10 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 63 A 8.06 4.47 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 64 A 7.84 4.26 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 65 Y 8.95 3.87 0.00 3.39 3.23 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 66 D 7.98 4.16 0.00 2.80 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 67 Q 7.74 4.84 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 68 Y 9.71 3.23 0.00 3.08 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 69 G 8.19 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 0.00 0.00 0.00 70 H 8.85 4.67 0.00 3.40 3.55 0.00 5.47 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.82 3.55 1.31 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 0.00 0.00 0.00 72 A 8.18 3.80 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 73 F 7.61 4.39 0.00 2.85 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 3.68 0.00 2.08 1.88 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 2.31 2.24 0.00 75 Q 8.92 4.06 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 76 G 10.31 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00