NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5201 8.1633 120.2748 55.2214 34.0231 174.1767 2 Q 4.4934 8.8360 121.4514 53.0418 29.8589 173.6366 3 I 4.8478 8.8350 116.3153 59.2232 42.3603 173.3396 4 F 5.4095 8.4739 120.7313 54.8694 42.0900 174.7451 5 V 4.6524 8.3808 122.7527 61.1559 33.8217 174.2062 6 K 4.6178 8.9043 129.5486 55.8561 33.2350 177.9071 7 T 4.5886 8.1140 117.1253 61.2968 70.6829 174.6778 8 L 4.6859 8.5314 122.5612 55.2848 42.4856 176.7258 9 T 4.3256 9.0281 108.9790 61.8232 70.1009 174.1808 10 G 3.3922 8.0678 112.9697 44.8181 0.0000 173.4497 11 K 4.4401 7.5134 122.4297 56.4291 33.3022 176.1594 12 T 5.0756 8.4347 111.9042 60.0571 72.2136 173.0915 13 I 4.6991 8.2920 122.4556 59.8931 41.2012 174.4707 14 T 4.4473 8.4306 121.6944 61.5979 70.6489 173.6715 15 L 4.6327 8.0605 124.7854 53.0179 45.5589 175.7047 16 E 4.5900 8.8344 123.3468 55.2789 29.5860 174.9844 17 V 4.7666 7.8698 118.3792 59.5277 35.5931 174.5997 18 E 4.7294 8.1692 116.8495 54.6548 32.2930 174.4326 19 P 4.3318 0.0000 0.0000 65.5292 31.5886 178.1839 20 S 4.2489 8.0211 111.9604 60.9929 63.5046 174.7597 21 D 4.4832 8.0884 120.9989 54.2135 41.3817 175.9290 22 T 4.8871 8.0552 112.7854 60.5931 72.1558 175.9157 23 I 3.7560 8.6637 122.2101 64.1879 36.6602 178.5997 24 E 4.1311 7.6501 119.0061 59.2446 29.7475 178.2918 25 N 4.4549 8.0212 115.9788 56.4987 38.8120 177.3494 26 V 3.5783 7.6040 119.0116 66.0082 30.4701 177.8524 27 K 4.1318 7.8397 115.9020 58.1173 31.8467 178.3221 28 A 4.3642 8.0207 119.9461 53.2429 19.1152 178.7662 29 K 4.1778 7.7356 116.6171 58.7550 32.6994 178.9628 30 I 3.7165 7.7246 120.0988 63.9699 36.6980 177.9073 31 Q 3.9457 7.4581 117.7034 59.6351 28.5795 178.2760 32 D 4.4137 7.5766 117.8118 57.7539 40.9506 179.1961 33 K 4.1466 7.9256 117.5077 58.8188 32.1618 176.8608 34 E 4.4658 9.4284 114.2553 57.6162 31.7555 176.3266 35 G 3.8920 8.1044 114.3238 46.5046 0.0000 173.4185 36 I 3.7202 7.3861 122.4286 60.6983 37.7141 174.1029 37 P 4.3469 0.0000 0.0000 62.1370 32.0133 175.6755 38 P 4.2903 0.0000 0.0000 65.5591 31.5194 178.4469 39 D 4.3763 8.0662 116.6189 55.9151 39.7471 176.8691 40 Q 4.3658 8.2235 117.4037 55.9316 29.1071 174.5530 41 Q 5.0732 7.7761 117.7957 54.4878 30.5935 175.4083 42 R 4.7999 8.5998 120.3131 54.4409 35.0786 174.1638 43 L 5.2037 8.4065 120.5997 53.1398 45.9382 175.4904 44 I 5.2129 8.3408 123.5400 58.3552 41.3827 174.7782 45 F 4.5834 8.4371 127.5229 57.5548 41.1422 173.7493 46 A 3.3106 8.8765 131.2440 53.1622 15.4328 178.3814 47 G 3.9237 8.4244 108.0190 46.6851 0.0000 174.6013 48 K 4.1519 7.7080 120.8598 55.9459 32.3197 176.1342 49 Q 4.4735 8.6171 124.0755 54.9085 28.6785 176.0434 50 L 4.2954 8.4665 124.8145 54.4156 42.7678 176.6788 51 E 4.7601 8.6800 121.0422 54.3345 32.4557 176.3020 52 D 4.5648 9.3174 126.1999 56.2816 41.0480 177.0882 53 G 4.0711 7.9873 106.4867 45.1364 0.0000 173.3176 54 R 4.5787 8.2886 120.0185 54.7480 32.0186 175.3872 55 T 4.9023 7.9538 109.4829 59.5899 70.8829 175.4453 56 L 3.6621 8.3082 124.0024 58.3306 41.6231 180.2428 57 S 4.2971 8.0773 113.4994 61.2136 62.9418 176.0391 58 D 4.3164 8.7640 122.6004 56.3518 40.6051 177.1093 59 Y 4.5568 7.5504 113.8326 56.5462 38.1829 175.4954 60 N 4.2023 7.9684 115.7036 53.5121 37.0181 173.8068 61 I 3.5068 7.3017 119.4658 62.1440 37.3848 175.2339 62 Q 4.7100 8.0826 125.6003 53.8340 31.2155 174.2842 63 K 4.0757 8.3649 118.7391 57.9465 32.6333 177.2636 64 E 3.9179 9.0328 123.4844 56.7260 27.0106 174.4289 65 S 4.3231 7.5574 114.2498 58.2088 63.0650 172.5636 66 T 5.0066 8.3467 116.7259 60.1913 70.4604 173.9014 67 L 4.7501 8.8750 125.2812 53.8286 44.5870 174.9038 68 H 5.2853 8.1342 115.8757 53.9771 31.1946 173.5941 69 L 4.3096 8.4698 126.1954 54.7636 43.0584 176.0954 70 V 4.4431 8.7435 124.9927 60.9637 34.9308 173.9717 71 L 4.5500 8.6012 129.3415 53.9547 42.7886 176.3760 72 R 4.5180 8.2128 127.9706 53.9992 28.5346 176.3714 73 L 4.0271 8.0723 121.4895 55.0221 43.0714 177.8760 74 R 4.3609 8.4756 122.5406 53.9673 29.2863 174.9259 75 G 3.8107 7.9182 105.1949 45.2073 0.0000 172.0701 76 G 4.0066 8.7035 107.9604 45.9026 0.0000 173.9149 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 4.52 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 2 Q 8.84 4.49 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 3 I 8.84 4.85 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.89 0.00 0.00 4 F 8.47 5.41 0.00 3.06 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 5 V 8.38 4.65 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 1.02 0.00 0.00 0.92 0.00 0.00 6 K 8.90 4.62 0.00 1.66 1.73 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 7 T 8.11 4.59 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 1.25 0.00 0.00 8 L 8.53 4.69 0.00 1.62 1.71 1.01 0.81 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 9 T 9.03 4.33 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 10 G 8.07 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.44 0.00 1.94 1.75 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.40 7.81 12 T 8.43 5.08 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 I 8.29 4.70 1.93 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 1.23 1.30 0.87 0.00 0.00 14 T 8.43 4.45 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 0.96 0.00 0.00 15 L 8.06 4.63 0.00 1.41 1.44 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.83 4.59 0.00 1.80 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 2.19 2.26 0.00 17 V 7.87 4.77 2.06 0.00 0.00 0.00 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 0.93 0.00 0.00 18 E 8.17 4.73 0.00 2.21 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 2.23 2.33 0.00 19 P 0.00 4.33 0.00 2.06 2.17 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 20 S 8.02 4.25 0.00 3.97 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 21 D 8.09 4.48 0.00 2.86 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 22 T 8.06 4.89 4.42 0.00 0.00 0.00 0.00 0.00 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 8.66 3.76 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.97 0.00 0.00 24 E 7.65 4.13 0.00 2.21 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 2.32 2.35 0.00 25 N 8.02 4.45 0.00 2.77 2.84 0.00 0.00 6.82 7.68 0.00 0.00 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 7.60 3.58 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 1.00 0.00 0.00 0.98 0.00 0.00 27 K 7.84 4.13 0.00 2.10 1.83 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.66 7.81 28 A 8.02 4.36 1.35 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 0.00 0.00 29 K 7.74 4.18 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.44 7.81 30 I 7.72 3.72 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.90 0.00 0.00 31 Q 7.46 3.95 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 32 D 7.58 4.41 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.93 4.15 0.00 1.83 1.84 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 34 E 9.43 4.47 0.00 1.92 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 0.00 2.20 2.25 0.00 35 G 8.10 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 36 I 7.39 3.72 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 0.85 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.19 2.03 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.17 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 39 D 8.07 4.38 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 8.22 4.37 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.78 5.07 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 42 R 8.60 4.80 0.00 1.68 1.75 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 43 L 8.41 5.20 0.00 1.48 1.48 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.34 5.21 1.88 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 1.10 2.03 0.95 0.00 0.00 45 F 8.44 4.58 0.00 2.98 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 46 A 8.88 3.31 1.09 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 0.00 0.00 47 G 8.42 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 48 K 7.71 4.15 0.00 2.04 1.96 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.74 7.81 49 Q 8.62 4.47 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 50 L 8.47 4.30 0.00 1.56 1.50 0.38 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.68 4.76 0.00 2.08 1.85 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 2.38 2.33 0.00 52 D 9.32 4.56 0.00 2.72 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 53 G 7.99 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.29 4.58 0.00 2.15 1.97 0.00 3.16 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 55 T 7.95 4.90 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 1.22 0.00 0.00 56 L 8.31 3.66 0.00 1.99 1.83 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.08 4.30 0.00 4.04 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 58 D 8.76 4.32 0.00 2.55 2.33 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 59 Y 7.55 4.56 0.00 2.99 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 60 N 7.97 4.20 0.00 2.83 2.83 0.00 0.00 6.91 7.45 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 61 I 7.30 3.51 1.85 0.00 0.00 0.79 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 0.49 0.84 0.00 0.00 62 Q 8.08 4.71 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 63 K 8.36 4.08 0.00 1.75 1.76 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.50 7.81 64 E 9.03 3.92 0.00 2.19 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 2.21 2.32 0.00 65 S 7.56 4.32 0.00 3.93 3.77 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 66 T 8.35 5.01 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 1.19 0.00 0.00 67 L 8.87 4.75 0.00 1.60 1.61 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.13 5.29 0.00 3.33 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.47 4.31 0.00 1.69 1.57 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.74 4.44 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.60 4.55 0.00 1.67 1.57 0.92 0.92 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 72 R 8.21 4.52 0.00 1.76 1.87 0.00 3.39 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 73 L 8.07 4.03 0.00 1.63 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.48 4.36 0.00 1.76 1.87 0.00 3.38 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 75 G 7.92 3.81 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 0.00 0.00 0.00 76 G 8.70 4.01 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 0.00 0.00 0.00