NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3120 8.1133 120.8599 56.6381 32.2453 177.6328 2 M 3.9362 7.8827 117.3365 57.5655 31.8800 177.2562 3 K 4.0999 8.1600 118.5746 59.6046 32.7697 178.6919 4 Q 3.9928 7.9501 119.2802 59.0422 29.0133 178.2046 5 I 3.7073 7.9684 121.0061 64.4772 37.3147 178.1965 6 E 3.9992 8.6725 119.7447 59.4566 29.2416 179.2733 7 D 4.3238 8.2353 118.8763 57.2729 40.8563 178.5962 8 K 3.8994 8.1344 120.0924 59.7724 32.0951 178.8735 9 I 3.7448 7.9399 120.2389 64.0996 37.0045 178.1548 10 E 4.0310 8.1866 118.3307 59.0102 29.5853 179.1241 11 E 3.9450 8.1724 119.7601 59.2751 29.5269 179.0263 12 I 3.6547 7.9267 120.0685 64.4950 37.1402 177.9795 13 E 3.9178 8.3152 119.9911 59.2644 29.4617 178.7595 14 S 4.0562 8.1091 112.9728 61.5267 62.5616 176.2619 15 K 3.9590 8.5519 121.4539 59.5813 31.7167 179.1586 16 Q 4.0086 8.4965 120.2875 58.8941 28.9569 178.2451 17 K 4.3275 8.6884 121.7037 58.7988 32.0182 179.4326 18 K 4.0519 8.0956 119.0035 59.7759 32.5154 179.3926 19 I 3.6826 7.8419 121.1491 64.2831 36.8915 178.0742 20 E 3.9821 8.3165 119.4045 59.5204 29.2964 179.2439 21 N 4.3591 8.2680 116.3461 56.4580 38.5578 177.3554 22 E 3.9982 8.5013 120.2552 59.3956 29.4880 179.4426 23 I 3.6777 8.3254 120.0641 64.3026 37.1796 178.2251 24 A 3.9926 8.1352 121.5333 55.2561 18.1437 179.8685 25 R 3.8671 8.0068 116.4667 59.4798 30.1779 179.2369 26 I 3.6967 8.0583 119.8532 64.4321 37.1020 178.6115 27 K 4.0137 8.2200 119.1794 59.3711 31.8545 179.5706 28 K 3.9370 8.0833 118.7132 59.3577 32.0138 179.1624 29 L 3.9440 8.1157 120.7115 58.0973 42.0440 178.6530 30 L 4.0086 8.4740 120.6843 58.2443 41.9906 178.8086 31 Q 4.2083 8.2465 119.5319 59.2649 28.9379 178.1512 32 L 4.1183 8.2139 120.3986 57.9764 41.6115 179.5221 33 T 4.0332 8.2030 109.7343 64.4508 68.9744 177.1787 34 V 3.5863 8.1359 121.2508 65.4449 31.4465 178.1965 35 W 3.8388 8.6438 118.8965 59.5683 29.0056 178.4112 36 G 3.9753 8.4215 106.0577 48.3248 0.0000 175.5240 37 I 3.7061 7.9252 122.4867 63.8791 37.0967 178.6276 38 K 4.0708 7.8911 120.5515 58.8672 31.8284 179.2713 39 Q 3.9764 8.4521 118.5984 59.0458 28.6116 178.9001 40 L 3.9930 8.0438 119.8720 58.0033 41.1543 179.6173 41 Q 3.9504 8.3827 117.9316 59.0413 28.4307 178.9346 42 A 4.0125 7.7514 120.6421 54.9668 18.4618 179.2778 43 R 4.0401 7.6841 116.0292 59.0544 30.2621 178.2091 44 I 4.0198 7.9087 119.1644 63.3484 37.5246 175.8436 45 L 4.2034 8.1980 123.6394 54.9110 41.5742 176.4653 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 R 8.11 4.31 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 M 7.88 3.94 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 3 K 8.16 4.10 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 4 Q 7.95 3.99 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 5 I 7.97 3.71 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.91 0.00 0.00 6 E 8.67 4.00 0.00 2.16 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 2.33 2.40 0.00 7 D 8.24 4.32 0.00 2.87 2.71 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 8 K 8.13 3.90 0.00 1.95 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 I 7.94 3.74 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.52 0.91 0.00 0.00 10 E 8.19 4.03 0.00 2.23 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 0.00 2.48 2.34 0.00 11 E 8.17 3.94 0.00 2.17 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 2.53 2.49 0.00 12 I 7.93 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.91 0.00 0.00 13 E 8.32 3.92 0.00 2.20 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 0.00 2.31 2.32 0.00 14 S 8.11 4.06 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.55 3.96 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 16 Q 8.50 4.01 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 K 8.69 4.33 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 18 K 8.10 4.05 0.00 2.01 2.07 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 19 I 7.84 3.68 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.91 0.00 0.00 20 E 8.32 3.98 0.00 2.18 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 2.33 2.48 0.00 21 N 8.27 4.36 0.00 2.91 2.86 0.00 0.00 7.07 7.21 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 22 E 8.50 4.00 0.00 2.07 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 2.33 2.50 0.00 23 I 8.33 3.68 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.92 0.00 0.00 24 A 8.14 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.87 0.00 2.01 1.99 0.00 3.31 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 1.65 1.85 0.00 26 I 8.06 3.70 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 1.53 0.64 0.92 0.00 0.00 27 K 8.22 4.01 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 28 K 8.08 3.94 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 29 L 8.12 3.94 0.00 1.76 1.81 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.47 4.01 0.00 1.93 1.89 0.95 0.75 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 31 Q 8.25 4.21 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 32 L 8.21 4.12 0.00 1.94 1.74 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.20 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 34 V 8.14 3.59 2.43 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 0.67 0.00 0.00 1.02 0.00 0.00 35 W 8.64 3.84 0.00 3.64 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 36 G 8.42 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 0.00 0.00 0.00 37 I 7.93 3.71 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.86 0.00 0.00 38 K 7.89 4.07 0.00 1.72 1.63 0.00 0.69 0.00 0.00 1.23 0.00 0.00 2.60 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.22 1.06 7.81 39 Q 8.45 3.98 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 40 L 8.04 3.99 0.00 1.85 1.71 0.92 0.82 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 41 Q 8.38 3.95 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 42 A 7.75 4.01 1.29 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 0.00 0.00 0.00 43 R 7.68 4.04 0.00 1.92 2.10 0.00 3.26 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 44 I 7.91 4.02 1.93 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 1.52 0.69 0.90 0.00 0.00 45 L 8.20 4.20 0.00 1.59 1.56 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00