NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1616 8.0327 115.2284 61.4222 68.2797 174.8014 2 V 3.3078 5.4500 124.4330 64.0512 32.3428 173.1272 3 L 4.6881 8.2447 122.1120 53.3142 43.9377 175.5272 4 H 4.7024 9.2117 124.2525 54.4140 31.4019 176.7021 5 V 3.5956 8.1759 121.2396 66.3186 31.3630 177.8618 6 Q 3.9929 8.1318 117.2211 59.3692 28.4138 178.5638 7 E 3.9583 8.2762 117.3514 59.9322 29.6118 179.3195 8 I 3.9004 7.6130 119.0425 64.2907 36.9586 178.4798 9 R 4.0718 7.9268 117.5988 58.2673 30.0866 177.6603 10 D 4.6557 7.8887 116.9117 54.1731 41.2956 176.2132 11 M 4.3839 7.1066 119.9257 54.5898 33.4775 175.2628 12 T 4.5191 8.1112 113.9450 60.0389 69.3150 173.5532 13 P 3.9576 0.0000 0.0000 66.1339 31.2672 178.6249 14 A 4.1131 7.9701 118.4238 54.5923 18.3584 179.0250 15 E 4.1177 8.9490 118.0816 58.7384 29.4176 179.4263 16 R 3.9136 7.8489 118.0258 59.2995 30.2742 178.5284 17 E 3.9402 8.0363 117.6860 59.4263 29.2252 179.3900 18 A 3.9811 7.8913 120.4047 55.0117 18.3320 179.3568 19 E 3.9789 8.3538 118.1311 59.2569 29.6396 178.3277 20 L 3.9306 8.9129 121.4826 58.4710 42.2249 178.6417 21 D 4.4258 8.5038 118.6116 56.6897 40.7661 178.7266 22 D 4.4573 7.5722 118.6293 57.0736 41.0977 178.5432 23 L 3.9768 8.1065 119.6677 57.7091 41.6477 179.4608 24 K 3.8582 8.1919 118.5254 60.1076 31.9801 179.4011 25 T 3.8823 7.5285 114.1811 66.4959 68.3450 176.3177 26 E 3.9039 8.1295 121.2757 59.0992 29.5627 178.4839 27 L 3.8684 8.2991 120.6799 58.2208 42.1848 178.5184 28 L 3.9192 8.4103 120.3994 58.5291 42.1242 178.7313 29 N 4.4784 8.6476 115.7832 55.3850 38.3238 177.4813 30 A 3.9676 7.8168 122.8940 55.2842 18.5469 179.7160 31 R 3.8421 8.2316 116.6108 59.3142 30.1257 179.2196 32 A 3.9740 8.0169 120.5073 55.2801 18.3889 179.8745 33 V 3.5598 7.6451 116.2914 66.0572 31.4899 178.0894 34 Q 3.9073 8.4033 119.5917 59.0416 28.7726 177.8648 35 A 4.1144 8.5888 121.0224 54.0916 18.3396 178.1186 36 A 4.6846 7.6696 118.3851 51.6783 20.2222 177.1628 37 G 3.9395 7.9973 106.6254 47.5595 0.0000 174.8207 38 G 3.6060 8.1411 108.3276 45.7407 0.0000 174.1650 39 A 4.3453 8.5659 127.1017 52.8476 19.5271 177.5982 40 P 4.5288 0.0000 0.0000 63.0451 30.4769 176.3161 41 E 4.2569 8.5381 119.9695 57.7530 30.7405 177.3264 42 N 4.9007 8.5937 112.3230 54.5514 41.0003 175.2893 43 P 4.1573 0.0000 0.0000 64.9311 31.9344 178.2423 44 G 3.7990 8.2447 104.3719 47.2732 0.0000 175.4999 45 R 4.1467 8.5355 120.3177 58.6513 29.2573 178.5120 46 I 3.1058 7.7521 117.5323 63.4469 37.6520 177.3412 47 K 4.2092 7.6137 119.1904 59.1407 32.2164 178.4550 48 E 3.9527 7.7172 117.6654 59.3881 29.4545 178.9761 49 L 3.9731 8.7851 120.2157 58.1543 41.6439 180.0744 50 R 3.9142 7.4906 115.5914 59.1801 30.0150 179.2527 51 K 3.9515 7.8559 118.1266 59.2307 32.0224 179.1527 52 A 3.9710 8.5869 121.3618 55.4791 18.3391 179.7106 53 I 3.6337 7.7214 117.8017 64.3497 37.0627 178.6045 54 A 3.9507 7.9184 121.5684 55.1824 18.2945 179.6306 55 R 3.8369 8.2608 116.9320 59.6102 30.2143 179.0618 56 I 3.6636 7.8075 119.2332 64.6595 37.3191 178.5345 57 K 3.9957 8.0411 118.9246 59.8053 31.8630 179.5361 58 T 3.8821 8.2476 116.3052 66.7062 68.3921 176.8420 59 I 3.7299 8.3085 121.9888 64.5252 37.1372 178.3443 60 Q 4.4206 8.0781 120.7844 58.2374 28.0012 179.6474 61 G 3.5388 7.9195 106.1196 47.8110 0.0000 175.5869 62 E 4.0052 7.8604 120.1969 59.2701 29.6510 179.2886 63 E 4.1854 8.6010 116.9845 57.6115 29.5420 178.1145 64 G 3.9195 6.9789 105.9544 45.1292 0.0000 173.2556 65 D 4.7406 8.1927 125.5313 54.3623 42.1532 175.8314 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 1 T 8.03 4.16 4.21 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 0.00 0.00 1.26 0.00 0.00 2 V 5.45 3.31 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 0.76 0.00 0.00 0.93 0.00 0.00 3 L 8.24 4.69 0.00 1.52 1.52 0.93 1.26 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 4 H 9.21 4.70 0.00 3.25 3.22 0.00 5.87 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 5 V 8.18 3.60 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 1.08 0.00 0.00 0.94 0.00 0.00 6 Q 8.13 3.99 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 E 8.28 3.96 0.00 2.08 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 2.33 2.46 0.00 8 I 7.61 3.90 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 1.53 0.92 0.91 0.00 0.00 9 R 7.93 4.07 0.00 1.94 1.99 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 10 D 7.89 4.66 0.00 2.79 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 11 M 7.11 4.38 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.47 0.00 12 T 8.11 4.52 4.33 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 1.32 0.00 0.00 13 P 0.00 3.96 0.00 2.19 2.02 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 14 A 7.97 4.11 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 15 E 8.95 4.12 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 2.31 2.34 0.00 16 R 7.85 3.91 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 17 E 8.04 3.94 0.00 2.02 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 2.46 2.60 0.00 18 A 7.89 3.98 1.39 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 19 E 8.35 3.98 0.00 2.21 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 2.30 2.35 0.00 20 L 8.91 3.93 0.00 1.83 1.81 0.92 1.23 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 D 8.50 4.43 0.00 2.80 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 22 D 7.57 4.46 0.00 2.90 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 23 L 8.11 3.98 0.00 1.81 1.71 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 3.86 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 25 T 7.53 3.88 4.39 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 1.21 0.00 0.00 26 E 8.13 3.90 0.00 2.05 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 2.31 2.32 0.00 27 L 8.30 3.87 0.00 1.86 1.91 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.41 3.92 0.00 1.85 1.81 0.92 0.68 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 29 N 8.65 4.48 0.00 2.87 2.85 0.00 0.00 6.95 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 30 A 7.82 3.97 1.39 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 31 R 8.23 3.84 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 32 A 8.02 3.97 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 33 V 7.65 3.56 2.25 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 1.06 0.00 0.00 0.96 0.00 0.00 34 Q 8.40 3.91 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 35 A 8.59 4.11 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 36 A 7.67 4.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 3.94 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 0.00 0.00 0.00 38 G 8.14 3.61 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 0.00 0.00 0.00 39 A 8.57 4.35 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 40 P 0.00 4.53 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 41 E 8.54 4.26 0.00 1.94 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 2.34 2.39 0.00 42 N 8.59 4.90 0.00 2.70 2.69 0.00 0.00 6.83 8.03 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 43 P 0.00 4.16 0.00 2.17 2.04 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 44 G 8.24 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.54 4.15 0.00 1.94 1.97 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 46 I 7.75 3.11 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 1.52 1.35 0.98 0.00 0.00 47 K 7.61 4.21 0.00 1.94 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 48 E 7.72 3.95 0.00 2.20 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 2.65 2.48 0.00 49 L 8.79 3.97 0.00 1.65 1.74 0.91 0.94 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 50 R 7.49 3.91 0.00 2.00 1.97 0.00 3.12 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 1.64 1.88 0.00 51 K 7.86 3.95 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 52 A 8.59 3.97 1.32 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 0.00 0.00 53 I 7.72 3.63 2.02 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 1.45 0.85 0.91 0.00 0.00 54 A 7.92 3.95 1.39 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 55 R 8.26 3.84 0.00 1.98 2.00 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 56 I 7.81 3.66 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 1.52 0.73 0.91 0.00 0.00 57 K 8.04 4.00 0.00 2.05 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 58 T 8.25 3.88 4.41 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 1.21 0.00 0.00 59 I 8.31 3.73 1.98 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 1.83 0.94 0.91 0.00 0.00 60 Q 8.08 4.42 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 61 G 7.92 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.86 4.01 0.00 2.07 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 2.35 2.59 0.00 63 E 8.60 4.19 0.00 1.89 2.01 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 2.56 2.47 0.00 64 G 6.98 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 65 D 8.19 4.74 0.00 2.87 2.89 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