NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4382 8.1933 115.2902 58.3280 64.5467 175.9285 13 L 3.8312 7.8385 120.0524 56.9106 41.3756 177.7269 14 R 3.9166 8.1443 118.4491 59.1338 30.4663 177.4966 15 E 3.9249 8.1996 118.7572 59.5637 29.5485 178.2792 16 C 4.1036 8.0399 118.4378 62.3948 31.6702 174.8259 17 E 3.9504 8.5422 121.3242 59.5727 29.1923 178.9021 18 L 4.0218 8.2039 118.9347 57.8940 41.6811 178.9395 19 Y 3.9684 8.1510 119.4997 60.6926 38.8053 178.1620 20 V 3.6803 8.2569 119.4485 66.0303 31.7153 177.7973 21 Q 3.9267 8.2359 119.2557 59.0836 28.7344 177.9202 22 K 3.8250 8.2062 119.7345 59.2467 32.1457 177.4773 23 H 4.6800 7.5149 113.1869 54.4639 29.2857 174.1307 24 N 4.2521 7.9260 117.4674 54.6330 38.2051 176.4559 25 I 3.8178 7.8960 119.5279 63.8426 37.0272 177.6821 26 Q 3.9690 8.1245 119.6414 59.3229 28.9363 178.1288 27 A 4.0321 7.9999 121.2053 55.1659 18.4793 179.4523 28 L 4.1030 8.0533 117.5048 57.9646 41.6927 179.7743 29 L 4.1396 8.2273 119.0592 57.4229 41.5638 179.1524 30 K 3.8632 8.2700 119.7785 59.9398 32.1372 178.5213 31 D 4.4044 8.4657 119.4531 57.3142 40.7201 179.0151 32 S 3.5615 7.8987 114.8632 61.2353 62.9224 176.6780 33 I 3.6618 7.8781 123.5455 64.0350 36.8412 178.5419 34 V 3.5624 7.9076 119.1797 66.0194 31.2797 177.9187 35 Q 3.8966 8.2167 119.3535 58.8637 28.8268 177.9608 36 L 3.4434 7.7047 120.0124 58.0845 41.4914 179.4690 37 C 4.0948 7.7892 114.9206 62.8357 28.0510 176.1727 38 T 3.9492 7.7603 116.5044 66.5941 68.2051 176.3342 39 A 4.0773 8.1182 121.2227 52.0281 20.1081 177.4576 40 R 3.6434 7.8358 114.9289 56.2957 27.8499 174.5404 41 P 4.2979 0.0000 0.0000 62.6853 32.3765 177.4414 42 E 4.1277 8.8062 121.5811 58.7285 29.9002 177.4333 43 R 4.6077 7.5262 117.4454 52.9077 30.7966 173.8196 44 P 4.3653 0.0000 0.0000 65.5153 31.6161 177.8687 45 M 4.1068 8.0805 116.9545 58.2838 31.9188 178.3475 46 A 4.0110 8.0735 120.4646 55.1071 18.5078 179.0890 47 F 4.0312 8.4003 119.0333 61.6455 39.4742 177.3752 48 L 3.8749 8.3650 118.6326 57.6281 41.3335 179.4650 49 R 3.9691 8.3139 118.8873 59.6262 30.1262 178.2909 50 E 3.8726 8.3849 119.2282 59.0570 29.2532 177.9577 51 Y 3.6235 7.8896 120.1055 60.8041 38.7592 178.3866 52 F 4.0324 8.1316 118.3345 60.0582 39.0737 177.3855 53 E 3.9465 8.4256 119.5919 59.3159 29.5388 179.0870 54 K 3.9773 7.8309 117.9934 59.2641 32.0202 179.3678 55 L 4.0671 7.3193 119.1432 57.4593 41.6221 178.9275 56 E 3.9633 8.9198 119.8485 59.0408 29.2803 178.7964 57 K 3.9243 7.7446 118.8442 59.6228 32.5195 178.4041 58 E 4.0916 7.8208 117.7252 59.1649 29.1104 178.8045 59 E 3.9148 8.0495 118.5902 59.0197 29.8245 178.1044 60 A 4.3101 7.7154 117.8514 52.6601 19.1393 177.6027 61 K 4.0866 7.5155 122.6138 56.8561 32.4120 175.9137 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 12 S 8.19 4.44 0.00 3.87 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 13 L 7.84 3.83 0.00 1.81 1.70 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.14 3.92 0.00 1.88 1.93 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 15 E 8.20 3.92 0.00 2.08 2.17 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 2.39 2.40 0.00 16 C 8.04 4.10 0.00 3.05 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 17 E 8.54 3.95 0.00 2.22 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 2.33 2.39 0.00 18 L 8.20 4.02 0.00 1.93 1.73 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.15 3.97 0.00 3.21 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 20 V 8.26 3.68 2.29 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 0.99 0.00 0.00 1.10 0.00 0.00 21 Q 8.24 3.93 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 K 8.21 3.83 0.00 1.67 1.65 0.00 1.68 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 1.31 7.81 23 H 7.51 4.68 0.00 2.97 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.93 4.25 0.00 2.98 2.85 0.00 0.00 7.23 7.54 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 25 I 7.90 3.82 1.95 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 1.59 1.14 0.99 0.00 0.00 26 Q 8.12 3.97 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 27 A 8.00 4.03 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 28 L 8.05 4.10 0.00 1.95 2.02 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.23 4.14 0.00 1.78 1.79 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.27 3.86 0.00 2.00 2.07 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 31 D 8.47 4.40 0.00 3.02 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 32 S 7.90 3.56 0.00 3.27 3.35 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 0.00 0.00 0.00 33 I 7.88 3.66 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.89 0.00 0.00 34 V 7.91 3.56 2.19 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 0.98 0.00 0.00 0.99 0.00 0.00 35 Q 8.22 3.90 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.76 2.15 0.00 36 L 7.70 3.44 0.00 1.81 1.56 0.94 0.64 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 37 C 7.79 4.09 0.00 2.90 2.94 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 38 T 7.76 3.95 4.31 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 1.18 0.00 0.00 39 A 8.12 4.08 1.13 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 0.00 0.00 40 R 7.84 3.64 0.00 1.87 1.90 0.00 3.15 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 41 P 0.00 4.30 0.00 1.98 1.99 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 42 E 8.81 4.13 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 43 R 7.53 4.61 0.00 1.87 1.86 0.00 3.16 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 P 0.00 4.37 0.00 2.20 2.11 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 45 M 8.08 4.11 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 46 A 8.07 4.01 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 47 F 8.40 4.03 0.00 3.21 3.32 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 48 L 8.37 3.87 0.00 1.98 1.94 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.31 3.97 0.00 1.99 2.10 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 50 E 8.38 3.87 0.00 2.08 2.04 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 2.26 2.25 0.00 51 Y 7.89 3.62 0.00 2.24 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.03 0.00 3.21 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 53 E 8.43 3.95 0.00 2.17 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 2.29 2.36 0.00 54 K 7.83 3.98 0.00 1.75 1.70 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 55 L 7.32 4.07 0.00 1.92 1.72 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.92 3.96 0.00 2.08 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 2.31 2.33 0.00 57 K 7.74 3.92 0.00 1.96 1.88 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 58 E 7.82 4.09 0.00 2.20 1.96 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 2.44 2.41 0.00 59 E 8.05 3.91 0.00 2.08 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 0.00 2.33 2.33 0.00 60 A 7.72 4.31 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 61 K 7.52 4.09 0.00 1.85 1.92 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.46 7.81