NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3994 8.1627 120.6032 55.3153 34.0282 173.9423 2 Q 4.3836 8.4443 128.1936 54.0891 30.3824 173.0630 3 I 4.5599 9.0787 119.9885 59.0570 42.2953 173.3817 4 F 5.4095 8.6141 120.5330 55.6696 42.4588 174.8627 5 V 4.7366 8.9662 122.2180 61.1077 34.1689 173.9325 6 K 5.1513 9.0722 130.4602 55.0460 34.1414 176.2884 7 T 4.6050 8.6987 117.9046 60.5168 70.1119 175.7048 8 L 4.1526 8.2906 121.4485 57.2663 41.7586 178.4971 9 T 4.0658 7.8092 107.1851 62.3118 69.2337 175.5601 10 G 3.9566 7.9719 111.0808 44.8517 0.0000 173.9005 11 K 4.1084 7.7442 121.6646 56.4072 32.8162 175.2319 12 T 5.2211 8.3630 115.5672 59.8522 71.0102 173.2037 13 I 4.6839 8.6373 117.9548 59.4954 41.0048 174.1632 14 T 5.0759 8.4885 119.8094 62.0652 70.3580 173.8888 15 L 4.8484 8.8189 125.6621 52.8827 45.7352 175.0748 16 E 5.0988 8.5759 119.8127 54.8782 31.5849 175.8569 17 V 4.6879 8.6373 116.8540 60.0540 36.6032 173.8823 18 E 4.7884 9.5627 120.5214 53.8442 33.3461 175.9187 19 P 4.2689 0.0000 0.0000 65.4110 31.5663 178.8929 20 S 4.3280 7.9075 111.2558 59.9081 63.8386 174.4001 21 D 4.4401 7.9801 122.9052 54.4434 41.3463 176.0980 22 T 4.7745 8.2035 113.7111 61.0330 71.5478 175.8544 23 I 3.6745 8.7038 123.6035 64.5780 37.1033 178.1566 24 E 3.9319 8.3218 120.0751 59.5950 29.2968 178.7768 25 N 4.3021 7.9773 116.0130 56.3455 38.5326 177.5276 26 V 3.5515 7.6982 119.3970 66.0128 31.5210 178.2304 27 K 4.2971 8.4751 119.3031 58.7226 31.8003 179.2274 28 A 3.9683 7.8789 121.0629 55.1687 18.3627 179.7541 29 K 3.8848 8.2971 117.3045 59.7803 32.0686 179.6687 30 I 3.7255 8.1299 120.3982 64.2339 36.9193 178.2579 31 Q 4.1008 8.4414 120.8826 59.1106 28.6736 177.5664 32 D 4.3268 7.9333 117.8813 57.6388 41.3160 178.3188 33 K 4.1551 7.8586 117.1252 58.7313 32.2681 178.3709 34 E 4.5248 8.7593 117.2185 55.6028 30.8871 177.3041 35 G 3.9310 8.2028 106.1142 44.9694 0.0000 173.1216 36 I 4.0505 7.3133 120.7856 59.4996 37.9300 174.0940 37 P 4.3371 0.0000 0.0000 62.1565 31.9607 175.7162 38 P 4.3168 0.0000 0.0000 65.5343 31.5120 178.4135 39 D 4.3865 8.0360 116.5674 55.9246 39.5794 177.1399 40 Q 4.2290 8.1114 118.0144 56.9252 29.3786 175.1665 41 Q 4.6053 7.9915 118.8514 55.1163 30.5482 174.9485 42 R 4.6239 8.9967 123.7697 54.6457 33.0597 173.7396 43 L 5.1660 8.5000 126.3705 53.3392 44.3146 175.5841 44 I 5.0958 8.6630 123.3260 59.6401 41.0563 174.4033 45 F 5.0575 9.1728 127.2550 57.3840 43.2867 173.9592 46 A 3.6448 8.6479 127.2515 53.0522 15.9502 176.7574 47 G 3.9537 8.2313 103.2146 47.8216 0.0000 174.8073 48 K 4.5952 7.8237 117.1017 54.0985 36.1136 175.7672 49 Q 4.5879 8.6694 125.0555 55.9398 29.8246 174.9414 50 L 4.2178 8.5243 127.0613 53.8864 43.0241 176.1521 51 E 4.3140 9.5026 124.1903 55.6911 30.3700 177.2691 52 D 4.3865 9.2913 125.0915 57.6274 41.1697 179.4209 53 G 3.6173 8.0171 106.3926 47.9968 0.0000 174.1337 54 R 4.3366 8.0983 119.2761 55.7839 30.7076 175.7155 55 T 4.9247 8.3803 109.7446 60.2793 70.7663 176.0072 56 L 3.8448 8.4757 122.7661 58.0833 41.4683 179.8769 57 S 4.1122 8.0860 113.1150 61.5616 62.0618 175.9783 58 D 4.3478 7.8937 120.5832 56.7611 40.5474 177.3318 59 Y 4.5413 7.2175 114.1517 56.4318 38.6731 174.7451 60 N 4.1363 8.0357 117.4915 54.4193 38.0612 174.4629 61 I 3.6738 7.7235 117.9214 60.7780 37.5660 175.9411 62 Q 4.6231 8.1291 124.5187 53.0093 31.4908 174.9435 63 K 3.9579 8.3729 117.0153 58.8743 32.1090 177.3462 64 E 3.8495 9.3770 121.9961 56.2662 28.2500 174.9156 65 S 4.4668 7.5955 115.4645 59.5696 64.2852 173.3533 66 T 5.2087 8.6563 118.4513 61.9861 70.5265 173.6460 67 L 4.8671 8.7804 126.2762 53.5001 44.5689 175.0641 68 H 5.2028 9.1232 120.4312 54.4040 30.6705 173.7655 69 L 4.8119 9.0864 126.7561 53.9588 42.9353 175.7362 70 V 4.5014 8.9959 126.6554 61.0583 34.4433 174.1059 71 L 4.9459 8.4890 126.9913 53.7362 43.1346 175.8127 72 R 4.3932 8.6806 124.6943 54.7817 31.0933 175.8992 73 L 4.0388 8.5791 127.1313 54.6549 41.6055 176.9552 74 R 4.1269 8.5803 124.4967 57.1310 29.8889 176.0580 75 G 3.7309 8.8902 113.4729 45.3775 0.0000 172.6176 76 G 3.9190 8.4421 113.3214 45.6805 0.0000 171.4695 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 M 8.16 4.40 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 2 Q 8.44 4.38 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 1.76 2.17 0.00 3 I 9.08 4.56 1.80 0.00 0.00 0.74 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 1.01 0.74 0.00 0.00 4 F 8.61 5.41 0.00 3.07 2.91 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 0.00 0.00 0.00 5 V 8.97 4.74 2.10 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 1.00 0.00 0.00 0.91 0.00 0.00 6 K 9.07 5.15 0.00 1.88 1.69 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.54 7.81 7 T 8.70 4.61 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 1.22 0.00 0.00 8 L 8.29 4.15 0.00 1.66 1.78 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.07 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 1.21 0.00 0.00 10 G 7.97 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 11 K 7.74 4.11 0.00 1.82 1.69 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 T 8.36 5.22 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 1.19 0.00 0.00 13 I 8.64 4.68 1.90 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 1.25 1.33 0.93 0.00 0.00 14 T 8.49 5.08 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 1.15 0.00 0.00 15 L 8.82 4.85 0.00 1.45 1.46 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.58 5.10 0.00 1.77 1.80 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 2.13 2.24 0.00 17 V 8.64 4.69 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 0.60 0.00 0.00 0.91 0.00 0.00 18 E 9.56 4.79 0.00 1.79 1.77 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 2.18 2.22 0.00 19 P 0.00 4.27 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.91 4.33 0.00 3.97 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 21 D 7.98 4.44 0.00 2.87 2.61 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 0.00 0.00 0.00 22 T 8.20 4.77 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.70 3.67 2.06 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 1.75 1.20 0.89 0.00 0.00 24 E 8.32 3.93 0.00 2.05 1.97 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 2.31 2.37 0.00 25 N 7.98 4.30 0.00 2.97 2.84 0.00 0.00 6.70 7.56 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 26 V 7.70 3.55 2.18 0.00 0.00 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 0.00 0.00 0.95 0.00 0.00 27 K 8.48 4.30 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.44 7.81 28 A 7.88 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.30 3.88 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.70 7.81 30 I 8.13 3.73 2.14 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 1.40 0.75 0.91 0.00 0.00 31 Q 8.44 4.10 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 32 D 7.93 4.33 0.00 2.69 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 33 K 7.86 4.16 0.00 1.79 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.56 7.81 34 E 8.76 4.52 0.00 2.09 1.98 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 2.26 2.44 0.00 35 G 8.20 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 0.00 0.00 0.00 36 I 7.31 4.05 1.87 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 1.42 0.59 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.29 1.98 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 38 P 0.00 4.32 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.04 4.39 0.00 2.78 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 40 Q 8.11 4.23 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 7.99 4.61 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 42 R 9.00 4.62 0.00 1.81 1.94 0.00 3.08 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.50 5.17 0.00 1.58 1.50 0.88 0.72 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 44 I 8.66 5.10 1.96 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 1.29 1.01 0.99 0.00 0.00 45 F 9.17 5.06 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.23 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 0.00 0.00 0.00 48 K 7.82 4.60 0.00 2.01 1.78 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.61 7.81 49 Q 8.67 4.59 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.52 4.22 0.00 1.41 1.27 0.63 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.50 4.31 0.00 2.06 1.95 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 2.41 2.52 0.00 52 D 9.29 4.39 0.00 2.80 2.76 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 0.00 0.00 0.00 0.00 53 G 8.02 3.62 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 0.00 0.00 0.00 54 R 8.10 4.34 0.00 2.05 1.96 0.00 3.21 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 55 T 8.38 4.92 4.44 0.00 0.00 0.00 0.00 0.00 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 56 L 8.48 3.84 0.00 1.70 1.71 0.91 0.63 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 57 S 8.09 4.11 0.00 4.02 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.89 4.35 0.00 2.66 2.37 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 59 Y 7.22 4.54 0.00 2.91 3.11 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 60 N 8.04 4.14 0.00 2.90 2.99 0.00 0.00 7.15 7.96 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 61 I 7.72 3.67 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.29 0.58 0.00 0.00 62 Q 8.13 4.62 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 63 K 8.37 3.96 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 64 E 9.38 3.85 0.00 2.20 2.37 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 2.23 2.48 0.00 65 S 7.60 4.47 0.00 3.66 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 5.21 4.32 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 1.23 0.00 0.00 67 L 8.78 4.87 0.00 1.55 1.53 0.80 0.56 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 68 H 9.12 5.20 0.00 3.13 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.09 4.81 0.00 1.59 1.69 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.00 4.50 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.49 4.95 0.00 1.55 1.57 0.93 0.89 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 72 R 8.68 4.39 0.00 1.79 1.83 0.00 3.26 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 L 8.58 4.04 0.00 1.68 1.62 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.58 4.13 0.00 1.79 1.90 0.00 3.36 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 75 G 8.89 3.73 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 0.00 0.00 0.00 76 G 8.44 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 0.00 0.00 0.00