NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 L 4.3475 8.1693 120.6322 54.3529 42.8810 179.3377 24 Q 4.9475 8.5371 124.1912 54.3632 31.4918 173.3059 25 C 4.6022 8.4647 116.2433 57.2099 41.7266 175.4630 26 V 3.9630 9.0419 122.6136 63.4203 32.2298 176.3170 27 C 4.6067 8.0668 118.5966 55.7247 38.5659 172.6810 28 L 3.9964 7.9448 122.8862 55.5763 42.2102 177.1512 29 K 4.4645 7.9686 119.4085 54.5720 33.7642 175.0303 30 T 4.7814 8.3109 115.8907 60.3074 70.9468 173.2253 31 T 4.7508 8.6962 115.7247 60.9545 70.5507 174.2625 32 S 4.6595 8.4631 118.0009 57.8993 65.7510 175.4267 33 G 3.9715 7.9392 111.8661 43.9388 0.0000 172.6585 34 I 4.5539 7.0675 112.3443 59.5710 41.2577 174.9555 35 N 4.6996 8.4232 119.6124 51.2548 39.7119 173.3042 36 P 4.0661 0.0000 0.0000 65.8983 31.5957 178.7239 37 R 3.9655 7.8494 116.5212 59.0702 30.2091 176.7338 38 H 4.7054 9.0667 114.8257 56.3478 29.2211 175.0410 39 I 4.4327 7.3615 121.4151 61.0644 37.5869 175.7215 40 S 4.8204 8.5270 118.9587 59.3110 64.7877 174.1899 41 S 4.7041 7.5707 112.4705 57.3651 65.7299 173.7713 42 L 5.2067 8.4566 122.2542 53.3713 45.4039 174.8886 43 E 4.6661 9.0113 125.9384 54.3421 32.6543 174.2824 44 V 4.6962 8.5131 126.6913 61.3178 33.5075 174.4667 45 I 4.4167 8.8047 129.7696 59.2694 39.0816 175.9814 46 G 4.1001 8.7434 114.2272 45.8344 0.0000 172.8287 47 A 4.3083 8.5605 122.4508 51.9127 19.3513 178.1463 48 G 3.9684 7.9712 106.9254 46.0387 0.0000 175.4272 49 L 4.0853 8.8757 120.3967 57.4257 42.2616 177.7861 50 H 4.5828 8.0473 113.6328 57.2618 29.5359 175.6282 51 C 4.8980 7.3969 118.5015 54.9621 46.7025 172.4760 52 P 4.2081 0.0000 0.0000 64.2526 31.3479 175.6614 53 S 4.8297 7.4438 112.4442 55.5158 66.2945 172.0212 54 P 4.6352 0.0000 0.0000 63.0515 32.2086 175.8638 55 Q 4.5803 8.8092 120.3386 54.0962 32.5700 174.4956 56 L 5.0992 8.5397 123.0143 53.2090 44.7774 175.2055 57 I 4.8472 8.6429 125.6025 59.3973 39.6808 174.8443 58 A 5.1950 8.9356 129.2221 50.5483 21.8742 175.2945 59 T 5.0166 8.6619 117.9672 61.7067 71.1224 174.5579 60 L 4.6669 9.3129 127.4715 53.9861 42.7291 178.3255 61 K 3.9525 8.8206 122.4854 59.2299 32.1874 177.7704 62 T 4.2661 7.6174 106.5797 61.1061 69.2412 174.8341 63 G 4.0813 7.9065 110.6448 45.8554 0.0000 174.8846 64 R 4.3125 7.9294 118.5922 55.9475 31.5788 175.6248 65 K 5.2824 8.5317 120.5206 54.7565 35.2821 175.4880 66 I 4.7572 8.5996 116.0109 59.6340 41.8003 172.9795 67 C 5.1291 8.6924 120.3301 55.9041 41.9338 173.1890 68 L 5.1779 8.5721 123.4614 52.6798 43.8460 175.3560 69 D 4.8087 8.3147 119.9483 52.6056 42.4251 177.5369 70 Q 3.9126 8.5882 125.4879 58.6326 29.0040 177.7299 71 Q 4.1384 8.3410 116.6522 58.0774 28.9776 176.1194 72 N 4.7616 7.7777 115.7279 52.0585 39.9465 172.8868 73 P 4.4149 0.0000 0.0000 62.7641 32.5589 177.1564 74 L 3.8515 8.9692 123.0537 58.9982 41.9180 178.3803 75 Y 4.2553 8.1723 116.5840 60.1426 37.4563 178.4336 76 K 3.7706 7.3111 120.2250 58.6333 32.1118 179.4155 77 K 3.9587 7.8365 119.1509 59.1466 31.8576 179.3703 78 I 3.6555 7.6356 119.6212 64.6507 37.3104 178.3316 79 I 3.7570 7.6104 119.9594 64.2643 36.6268 178.8354 80 K 3.9576 7.5743 118.7399 59.3553 32.2558 178.9749 81 R 4.0325 7.8735 118.9393 59.5927 29.7843 178.5446 82 L 4.0312 8.0430 117.7230 57.6938 41.7424 178.9504 83 L 4.2537 7.6753 116.0390 56.3228 41.7741 178.1962 84 K 3.8714 8.7414 119.3380 55.7518 31.7898 176.5904 85 S 4.1249 7.3707 121.1526 58.0441 63.1281 172.8036 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 23 L 8.17 4.35 0.00 1.64 0.85 0.93 0.54 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 24 Q 8.54 4.95 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 25 C 8.46 4.60 0.00 2.98 3.17 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 0.00 0.00 0.00 0.00 26 V 9.04 3.96 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 0.79 0.00 0.00 0.93 0.00 0.00 27 C 8.07 4.61 0.00 2.97 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 28 L 7.94 4.00 0.00 1.63 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.97 4.46 0.00 1.65 1.67 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.44 7.81 30 T 8.31 4.78 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 1.22 0.00 0.00 31 T 8.70 4.75 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 1.24 0.00 0.00 32 S 8.46 4.66 0.00 3.85 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 33 G 7.94 3.97 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 0.00 34 I 7.07 4.55 1.89 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 1.31 0.67 0.93 0.00 0.00 35 N 8.42 4.70 0.00 2.63 2.43 0.00 0.00 6.85 7.71 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 36 P 0.00 4.07 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 37 R 7.85 3.97 0.00 1.78 2.18 0.00 3.25 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 38 H 9.07 4.71 0.00 3.19 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.36 4.43 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.96 0.00 0.00 40 S 8.53 4.82 0.00 3.85 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 41 S 7.57 4.70 0.00 3.88 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 42 L 8.46 5.21 0.00 1.63 1.54 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.01 4.67 0.00 2.06 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 2.17 2.20 0.00 44 V 8.51 4.70 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 0.81 0.00 0.00 0.92 0.00 0.00 45 I 8.80 4.42 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.91 0.00 0.00 46 G 8.74 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 47 A 8.56 4.31 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 48 G 7.97 3.97 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 0.00 49 L 8.88 4.09 0.00 1.66 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.05 4.58 0.00 3.31 3.55 0.00 5.49 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.40 4.90 0.00 2.90 2.79 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 P 0.00 4.21 0.00 2.19 2.13 0.00 3.72 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 1.96 1.93 0.00 53 S 7.44 4.83 0.00 3.80 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 54 P 0.00 4.64 0.00 1.87 1.97 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 55 Q 8.81 4.58 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 56 L 8.54 5.10 0.00 1.49 1.50 0.44 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.64 4.85 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.91 0.00 0.00 58 A 8.94 5.19 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 59 T 8.66 5.02 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 1.26 0.00 0.00 60 L 9.31 4.67 0.00 1.73 1.59 0.94 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.82 3.95 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 62 T 7.62 4.27 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 1.19 0.00 0.00 63 G 7.91 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 64 R 7.93 4.31 0.00 1.76 1.86 0.00 3.23 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 65 K 8.53 5.28 0.00 1.59 1.67 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.39 7.81 66 I 8.60 4.76 1.88 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 1.24 0.74 0.92 0.00 0.00 67 C 8.69 5.13 0.00 3.07 3.03 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 0.00 0.00 0.00 0.00 68 L 8.57 5.18 0.00 1.52 1.63 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.31 4.81 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.91 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 71 Q 8.34 4.14 0.00 2.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 72 N 7.78 4.76 0.00 2.72 2.87 0.00 0.00 7.19 8.61 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 73 P 0.00 4.41 0.00 2.15 2.22 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 74 L 8.97 3.85 0.00 1.85 1.79 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.17 4.26 0.00 3.31 3.27 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 0.00 0.00 0.00 0.00 76 K 7.31 3.77 0.00 1.52 1.65 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.89 7.81 77 K 7.84 3.96 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 78 I 7.64 3.66 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.70 0.94 0.00 0.00 79 I 7.61 3.76 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.22 0.93 0.00 0.00 80 K 7.57 3.96 0.00 1.66 1.85 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 81 R 7.87 4.03 0.00 1.89 2.18 0.00 3.09 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 82 L 8.04 4.03 0.00 1.64 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.68 4.25 0.00 1.66 1.72 0.93 0.72 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 84 K 8.74 3.87 0.00 1.95 1.66 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 85 S 7.37 4.12 0.00 3.88 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