NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.3722 8.3349 115.4089 58.2316 64.5012 173.5514 14 H 4.1345 8.6305 122.3309 56.7378 28.9122 171.4243 15 V 4.2630 7.6074 116.3803 60.9083 33.4049 176.9157 16 F 4.3421 7.6881 120.8424 60.7786 38.7351 177.3094 17 K 4.1060 8.5564 118.4101 59.6355 31.9289 179.5112 18 S 4.1590 8.0557 113.9250 61.6718 62.8517 176.5853 19 R 4.0019 8.0572 121.4888 58.7714 29.6873 178.8024 20 L 4.0373 8.2190 120.4136 58.0330 42.1143 178.6168 21 Q 4.0632 8.4125 119.7138 59.3315 28.8756 178.2777 22 E 4.0022 8.4589 119.5820 59.4064 29.5069 178.4784 23 Y 4.1069 8.1868 119.3984 60.7954 38.7791 177.9413 24 A 4.1800 8.6062 121.9228 55.5354 18.6158 179.4688 25 Q 3.8684 8.2904 117.8245 59.0895 28.9335 177.9831 26 K 3.7055 8.0171 119.8748 59.4368 32.1580 177.3804 27 Y 4.2986 7.5156 113.6076 56.6133 38.3788 175.5300 28 K 3.8642 7.7165 117.2653 57.8445 30.1523 175.3439 29 L 4.8576 7.8907 116.8933 51.9450 44.3666 175.4368 30 P 4.3960 0.0000 0.0000 62.5741 31.9011 176.5535 31 T 3.8779 8.5374 116.8620 63.6786 68.8098 172.2074 32 P 4.5867 0.0000 0.0000 63.1476 32.0745 175.9498 33 V 4.5410 8.3065 122.8698 60.1871 34.4113 174.0177 34 Y 5.0632 8.6013 119.5590 56.3996 40.4171 174.8154 35 E 4.6244 9.4672 124.3945 55.2396 31.6513 175.0753 36 I 4.8626 8.4654 124.6995 59.5947 39.5345 174.9174 37 V 4.4180 9.0193 127.7527 60.9101 33.6974 174.1376 38 K 4.6740 8.5791 128.3371 54.6499 34.6765 174.5384 39 E 4.5600 8.7721 125.2994 55.6261 34.8180 175.5601 40 G 3.8898 8.7160 108.0078 43.8448 0.0000 171.2265 41 P 4.2737 0.0000 0.0000 62.6758 31.7022 177.6739 42 S 4.0360 8.8227 116.8394 61.4520 62.5785 175.0155 43 H 4.7965 8.1885 113.9170 55.2494 29.5268 174.3553 44 K 4.6889 8.0193 118.2065 55.6206 32.5436 176.5001 45 S 4.6091 7.9056 113.9814 58.5310 64.3392 175.3791 46 L 5.3135 8.7675 121.7297 53.1453 45.3147 175.6785 47 F 5.8709 9.3498 120.1169 54.9551 42.9767 173.9551 48 Q 5.0661 8.7190 121.6891 54.7514 33.0451 173.2935 49 S 5.3049 9.6613 118.5458 56.9327 66.8152 172.4670 50 T 5.2109 8.7754 121.5530 61.7328 71.4004 173.3240 51 V 4.3657 8.7154 126.2826 60.1500 34.0766 174.8429 52 I 4.9556 8.5568 125.0005 59.4648 39.9409 174.3448 53 L 4.8304 8.7662 128.9389 53.7798 45.5170 175.8187 54 D 4.4690 10.0089 125.8251 55.3354 39.6679 174.4332 55 G 3.9864 8.3616 105.6865 45.2846 0.0000 174.1398 56 V 3.8451 7.8166 120.7307 61.6798 32.4423 174.3923 57 R 4.8358 7.9708 125.7292 54.8281 31.7161 175.1691 58 Y 4.7548 9.0448 121.5349 56.2009 41.5237 174.1464 59 N 5.4630 8.7757 121.1674 51.2949 40.6231 175.0673 60 S 4.5001 9.1574 118.7931 57.8080 64.1171 174.1088 61 L 4.1485 8.4934 120.9719 54.3598 41.8121 175.6804 62 P 4.5445 0.0000 0.0000 62.9261 32.6481 176.1046 63 G 3.7512 8.6828 103.8802 45.8604 0.0000 173.8487 64 F 4.0958 7.8267 118.2522 57.1005 39.4361 176.2741 65 F 5.2475 8.4828 120.1655 58.4936 39.5452 175.9359 66 N 3.8464 7.5324 117.8573 49.9717 41.0057 175.3193 67 R 3.7390 7.4756 118.2604 59.3298 29.4466 179.0280 68 K 3.7320 7.7640 118.5348 59.0150 32.0795 178.9211 69 A 3.6825 8.3799 120.9671 54.8579 18.1739 179.5361 70 A 3.3584 7.4229 119.0701 55.1941 18.4422 179.7052 71 E 3.9516 8.2577 117.3971 59.7087 29.4766 179.5694 72 Q 4.0216 8.0878 118.2663 59.0451 28.7498 179.0327 73 S 3.8747 7.6831 113.8476 61.1142 62.3302 175.9525 74 A 4.0054 8.2056 123.4125 55.2675 18.0804 179.4900 75 A 3.9140 8.3637 119.4287 55.1027 18.4521 179.3787 76 E 3.2226 7.9733 117.8272 59.1536 29.5432 179.1677 77 V 3.4257 7.6325 117.8682 65.8542 31.5264 177.5500 78 A 2.5800 7.7921 120.4723 54.8335 17.8543 179.4872 79 L 3.6301 7.7274 117.3422 58.0056 41.4872 180.0318 80 R 3.8482 7.5782 116.5130 59.2497 30.2666 178.4991 81 E 4.0585 8.0259 119.0285 59.1960 29.4889 178.7316 82 L 3.9039 7.8630 118.0934 57.4059 41.6142 178.8106 83 A 4.2137 7.4014 119.1226 53.6521 18.6436 177.4125 84 K 4.1069 7.7955 121.4058 56.7273 32.1385 176.8314 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 S 8.33 4.37 0.00 4.14 4.09 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 14 H 8.63 4.13 0.00 3.10 3.27 0.00 5.64 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 15 V 7.61 4.26 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 0.45 0.00 0.00 0.85 0.00 0.00 16 F 7.69 4.34 0.00 3.43 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 17 K 8.56 4.11 0.00 1.78 1.86 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.55 7.81 18 S 8.06 4.16 0.00 4.05 4.12 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 19 R 8.06 4.00 0.00 2.15 2.10 0.00 3.19 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 L 8.22 4.04 0.00 1.91 1.89 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.41 4.06 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 22 E 8.46 4.00 0.00 2.31 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 0.00 2.36 2.53 0.00 23 Y 8.19 4.11 0.00 3.21 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 24 A 8.61 4.18 1.58 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 0.00 0.00 25 Q 8.29 3.87 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 26 K 8.02 3.71 0.00 1.66 1.81 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.04 7.81 27 Y 7.52 4.30 0.00 2.76 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 28 K 7.72 3.86 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.51 7.81 29 L 7.89 4.86 0.00 1.69 1.63 1.11 1.43 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 30 P 0.00 4.40 0.00 2.06 2.01 0.00 3.75 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 2.05 2.13 0.00 31 T 8.54 3.88 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 1.29 0.00 0.00 32 P 0.00 4.59 0.00 1.86 1.84 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 33 V 8.31 4.54 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 0.86 0.00 0.00 0.98 0.00 0.00 34 Y 8.60 5.06 0.00 2.88 2.97 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 35 E 9.47 4.62 0.00 1.91 1.91 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 2.30 2.30 0.00 36 I 8.47 4.86 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 1.17 0.00 0.00 37 V 9.02 4.42 2.13 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 0.93 0.00 0.00 0.96 0.00 0.00 38 K 8.58 4.67 0.00 1.53 1.47 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 E 8.77 4.56 0.00 1.83 1.72 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 0.00 2.17 2.19 0.00 40 G 8.72 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.27 0.00 2.19 2.01 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 42 S 8.82 4.04 0.00 3.97 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 43 H 8.19 4.80 0.00 3.14 3.35 0.00 5.64 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 44 K 8.02 4.69 0.00 1.67 1.70 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.50 7.81 45 S 7.91 4.61 0.00 3.75 3.38 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 46 L 8.77 5.31 0.00 1.51 1.56 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.35 5.87 0.00 3.21 3.01 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 0.00 0.00 0.00 0.00 48 Q 8.72 5.07 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 49 S 9.66 5.30 0.00 3.95 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 50 T 8.78 5.21 4.27 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 1.24 0.00 0.00 51 V 8.72 4.37 1.76 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 1.01 0.00 0.00 0.13 0.00 0.00 52 I 8.56 4.96 1.82 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 1.07 0.70 0.88 0.00 0.00 53 L 8.77 4.83 0.00 1.74 1.63 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 D 10.01 4.47 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 56 V 7.82 3.85 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 0.33 0.00 0.00 0.93 0.00 0.00 57 R 7.97 4.84 0.00 1.57 1.74 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 58 Y 9.04 4.75 0.00 2.83 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 59 N 8.78 5.46 0.00 2.60 2.76 0.00 0.00 7.08 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 60 S 9.16 4.50 0.00 3.97 4.13 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 0.00 0.00 0.00 0.00 61 L 8.49 4.15 0.00 1.95 1.57 0.94 1.08 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 62 P 0.00 4.54 0.00 2.13 2.06 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 63 G 8.68 3.75 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 0.00 0.00 0.00 64 F 7.83 4.10 0.00 3.47 2.97 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 65 F 8.48 5.25 0.00 3.11 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 66 N 7.53 3.85 0.00 2.65 2.72 0.00 0.00 5.99 7.66 0.00 0.00 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 R 7.48 3.74 0.00 2.06 2.11 0.00 2.88 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 68 K 7.76 3.73 0.00 1.83 1.78 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 69 A 8.38 3.68 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 70 A 7.42 3.36 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.26 3.95 0.00 1.82 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 2.27 2.44 0.00 72 Q 8.09 4.02 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 73 S 7.68 3.87 0.00 3.47 3.72 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 0.00 0.00 0.00 0.00 74 A 8.21 4.01 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.36 3.91 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.22 0.00 1.16 1.61 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 1.87 1.47 0.00 77 V 7.63 3.43 2.21 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 1.00 0.00 0.00 1.02 0.00 0.00 78 A 7.79 2.58 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.73 3.63 0.00 1.71 1.65 1.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.58 3.85 0.00 1.84 1.93 0.00 3.05 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 81 E 8.03 4.06 0.00 2.22 2.05 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 2.51 2.50 0.00 82 L 7.86 3.90 0.00 1.34 1.29 0.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.40 4.21 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 84 K 7.80 4.11 0.00 1.89 1.73 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.57 7.81