NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A R 4.3792 8.2544 119.7064 56.1412 32.1510 173.9274 1B K 4.0101 8.9864 125.9258 56.1139 33.5649 175.3650 1C L 4.0692 10.2639 122.3512 56.1849 41.6787 179.3474 1 C 4.5575 5.8435 131.8743 60.3482 40.8894 175.8782 2 S 3.8926 7.9807 114.3820 59.8747 63.0147 173.6643 3 L 4.2753 8.2890 123.5334 53.8570 41.5075 175.5829 4 D 4.3943 9.2935 128.5601 55.7691 39.8744 173.0532 5 N 4.6542 8.4527 109.4029 53.0820 37.6721 174.1191 6 G 3.6677 9.0704 101.3535 45.8526 0.0000 174.9154 7 D 4.5090 8.4809 116.4344 54.2348 40.6299 173.5482 8 C 4.5887 7.8824 114.7511 57.4410 40.9547 173.7331 9 D 4.5451 8.5193 122.8522 57.0673 42.2370 177.4451 10 Q 4.3687 7.6705 111.6091 55.6385 30.9916 179.2041 11 F 4.6624 5.9862 126.3928 58.7481 40.2115 173.0363 12 C 5.4831 8.8956 122.6113 55.1446 42.8497 172.4290 13 H 4.9921 9.1255 124.3906 54.9329 33.4606 172.2094 14 E 5.3754 8.4505 125.0839 54.4426 28.6002 173.8812 15 E 3.9132 8.3064 122.3983 55.7685 29.4298 176.5516 16 Q 3.3081 9.1328 128.3363 56.7697 26.0316 172.1656 17 N 4.2941 8.3495 117.2106 54.0891 40.2984 173.3873 18 S 4.3229 8.2273 113.5725 58.2645 63.6404 168.5143 19 V 4.4742 7.9326 123.9025 62.3443 32.8652 175.6715 20 V 4.3507 9.0513 126.2889 61.7226 34.2514 173.6703 21 C 5.4583 8.8881 125.5712 56.3686 41.6417 172.8133 22 S 4.7001 8.5818 114.6496 57.8716 66.6947 171.6358 23 C 4.6873 8.5010 115.5669 54.6979 38.5603 174.1964 24 A 4.4989 8.6555 123.6814 51.4516 18.7201 177.5166 25 R 4.1225 8.4793 118.6846 58.3568 30.4997 177.6736 26 G 4.0021 9.5414 110.0657 45.1334 0.0000 171.9227 27 Y 5.2155 7.6764 115.7217 56.0630 41.8515 175.0545 28 T 4.6693 8.9158 112.4075 59.3569 71.7221 173.0720 29 L 4.4035 8.8206 127.7343 55.5139 42.9528 176.6356 30 A 4.3123 9.3744 128.8368 51.5831 19.7771 178.0328 31 D 4.3054 8.7935 117.9250 57.7678 40.7849 178.3153 32 N 4.3763 8.1419 113.9359 53.5884 37.3125 175.0535 33 G 3.9570 8.1080 107.0449 46.7178 0.0000 174.2825 34 K 4.5448 8.6058 117.3114 57.5550 35.4918 177.0537 35 A 4.5762 8.3216 121.1053 52.2246 19.8777 176.2415 36 C 5.3831 9.1977 117.3523 55.2222 39.6515 173.6779 37 I 4.6298 8.8548 124.8788 58.7534 39.0704 173.6705 38 P 4.0708 0.0000 0.0000 63.0868 31.5296 176.5518 39 T 4.2069 8.4550 119.3807 64.4097 69.2771 174.6083 40 G 4.0305 7.1919 108.1719 44.4692 0.0000 170.7146 41 P 4.1128 0.0000 0.0000 65.1216 31.7206 176.6562 42 Y 4.7037 7.4087 113.6385 55.1597 37.9339 173.2383 43 P 4.3220 0.0000 0.0000 62.0896 32.5921 176.8682 44 C 4.3627 8.5515 115.1299 59.7977 29.9648 173.9164 45 G 3.9428 8.9150 108.8414 45.9148 0.0000 173.0350 46 K 4.6066 7.4003 118.6373 53.9955 33.9383 176.3354 47 Q 4.0667 8.6319 123.6558 55.6946 29.1940 176.1048 48 T 4.1161 8.4422 112.9778 61.7254 68.4694 174.1621 49 L 4.2422 8.5028 128.0845 56.9906 42.2839 177.1967 50 E 4.2889 7.8759 120.2181 56.6945 29.1540 174.6646 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 1A R 8.25 4.38 0.00 1.82 1.99 0.00 3.14 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 1B K 8.99 4.01 0.00 1.77 1.48 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.52 7.81 1C L 10.26 4.07 0.00 1.98 1.24 0.98 0.89 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 1 C 5.84 4.56 0.00 3.09 3.16 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 0.00 0.00 0.00 0.00 2 S 7.98 3.89 0.00 3.94 3.92 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 0.00 0.00 0.00 0.00 3 L 8.29 4.28 0.00 1.77 1.76 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.29 4.39 0.00 2.90 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 5 N 8.45 4.65 0.00 2.98 2.79 0.00 0.00 7.57 7.91 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 6 G 9.07 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.48 4.51 0.00 2.78 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 8 C 7.88 4.59 0.00 3.11 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 9 D 8.52 4.55 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 4.37 0.00 1.46 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.91 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 11 F 5.99 4.66 0.00 3.11 2.82 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 12 C 8.90 5.48 0.00 3.06 2.95 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 13 H 9.13 4.99 0.00 3.26 3.09 0.00 5.82 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 14 E 8.45 5.38 0.00 1.80 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 2.22 2.10 0.00 15 E 8.31 3.91 0.00 1.93 1.89 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 2.33 2.40 0.00 16 Q 9.13 3.31 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.73 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 17 N 8.35 4.29 0.00 2.84 2.82 0.00 0.00 7.32 7.63 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 18 S 8.23 4.32 0.00 4.11 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 19 V 7.93 4.47 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 0.81 0.00 0.00 0.93 0.00 0.00 20 V 9.05 4.35 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 0.96 0.00 0.00 0.94 0.00 0.00 21 C 8.89 5.46 0.00 2.98 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 22 S 8.58 4.70 0.00 4.04 4.03 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 23 C 8.50 4.69 0.00 2.80 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 24 A 8.66 4.50 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.48 4.12 0.00 1.90 1.98 0.00 3.24 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 26 G 9.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.68 5.22 0.00 2.93 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 28 T 8.92 4.67 4.26 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 1.21 0.00 0.00 29 L 8.82 4.40 0.00 1.67 1.65 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.37 4.31 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 D 8.79 4.31 0.00 2.68 2.75 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 0.00 0.00 0.00 32 N 8.14 4.38 0.00 2.81 2.95 0.00 0.00 6.01 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 33 G 8.11 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.54 0.00 1.78 1.91 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 35 A 8.32 4.58 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 36 C 9.20 5.38 0.00 2.71 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.85 4.63 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 1.40 0.89 0.89 0.00 0.00 38 P 0.00 4.07 0.00 1.75 1.62 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 39 T 8.46 4.21 4.24 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 1.17 0.00 0.00 40 G 7.19 4.03 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 0.00 0.00 0.00 41 P 0.00 4.11 0.00 2.09 1.95 0.00 3.64 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 2.06 2.07 0.00 42 Y 7.41 4.70 0.00 2.91 2.86 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 0.00 0.00 0.00 43 P 0.00 4.32 0.00 1.81 1.70 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 44 C 8.55 4.36 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 45 G 8.92 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.40 4.61 0.00 1.93 1.77 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 47 Q 8.63 4.07 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.44 4.12 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 49 L 8.50 4.24 0.00 1.63 1.77 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.88 4.29 0.00 2.04 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 2.14 2.24 0.00