NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1321 8.3449 118.8256 54.5517 29.3123 173.3770 13 R 3.5681 9.3000 124.0882 54.3870 30.7920 174.1811 14 P 4.3011 0.0000 0.0000 65.9346 32.2743 178.4242 15 L 4.0476 7.9545 116.8607 57.8105 41.4482 179.0993 16 D 4.4647 7.9571 117.2888 57.0458 40.5346 178.5461 17 A 4.3288 7.8511 122.8109 54.2788 18.2758 179.6293 18 L 3.8150 7.9921 118.3060 57.6326 41.0169 179.5901 19 G 3.9686 7.9116 105.6313 48.0926 0.0000 175.4756 20 N 4.4900 7.8894 118.7094 56.2037 38.7800 177.1256 21 S 4.4317 7.9653 114.7579 58.5497 63.0088 174.3045 22 L 4.2343 7.0215 121.6219 56.3459 41.8146 176.6354 23 N 4.3105 9.1477 119.7858 54.5044 37.0169 174.3066 24 S 4.9042 7.8553 112.0468 55.7386 67.4044 172.2158 25 P 4.8779 0.0000 0.0000 63.2161 31.6723 175.8648 26 V 4.7699 9.1004 116.2973 59.6201 36.5655 174.2611 27 I 4.6831 9.5915 123.5523 59.8728 39.4101 174.8023 28 I 4.8131 9.1969 128.5463 59.2862 39.8379 174.5180 29 K 4.5024 8.5989 128.0708 54.5769 34.1138 175.4542 30 L 5.0324 8.5170 127.4134 52.7283 44.6360 176.1844 31 K 4.0481 8.3741 120.0644 57.9486 31.6170 178.0904 32 G 3.8878 8.6708 110.2150 44.7392 0.0000 173.2520 33 D 4.5877 7.3593 115.5932 55.0858 39.2631 173.8002 34 R 4.4279 7.3054 117.4667 55.5906 31.8576 175.3726 35 E 5.2069 8.5920 122.8355 54.4659 33.0633 174.3806 36 F 5.2048 9.2736 123.9994 55.7483 43.2634 174.0746 37 R 5.0369 8.8927 121.5437 54.6250 33.9867 175.0406 38 G 4.3210 8.2021 109.0212 46.0535 0.0000 171.7216 39 V 4.5627 8.0973 120.4136 61.5912 32.9547 175.1267 40 L 4.3750 8.5896 130.7013 55.3589 42.2774 177.0640 41 K 4.6297 8.7627 125.6409 57.3832 34.7424 176.0442 42 S 4.8110 7.8247 112.0484 57.9630 65.6544 173.7789 43 F 6.0206 8.4016 116.5036 57.3643 40.3309 172.1956 44 D 4.9095 8.3734 118.5461 50.9583 42.2574 176.4870 45 L 4.0770 8.4093 117.9268 57.8900 41.7460 178.0005 46 H 4.6492 9.0245 115.0882 55.3673 28.7023 175.5885 47 M 3.5260 8.4041 117.9980 56.3144 30.0271 176.2542 48 N 4.9781 8.3753 116.9326 53.1794 39.9944 174.2520 49 L 5.4616 8.8493 122.7711 54.1618 45.1441 175.0420 50 V 4.8870 8.6951 118.0663 61.0692 34.5987 173.9816 51 L 5.3079 9.1376 127.4316 53.1684 44.7332 175.4693 52 N 5.0506 9.1683 120.3808 51.5004 41.6373 174.0031 53 D 4.4139 8.6475 116.5801 55.1663 40.0462 173.6262 54 A 4.7954 8.0321 118.3687 51.8297 20.3267 177.4683 55 E 4.9618 9.1561 117.0834 55.0056 33.6856 173.6437 56 E 3.8224 8.8966 124.8643 54.8689 30.9061 175.3844 57 L 4.8318 8.5692 128.1397 53.7152 44.3681 176.7983 58 E 4.2097 8.9472 120.7582 56.6728 31.0722 174.1571 59 D 4.2278 8.8047 129.0834 55.0692 36.9835 176.3900 60 G 3.9725 8.0322 103.9076 45.9784 0.0000 172.6057 61 E 4.5697 7.7136 120.1593 53.8186 31.4508 175.7407 62 V 3.9378 8.3958 123.6797 63.9289 31.9771 175.4144 63 T 4.4881 8.4897 123.8339 64.8331 70.0290 175.3134 64 R 4.4350 7.3947 113.8033 55.4424 32.0373 173.9871 65 R 4.8678 8.7238 120.6707 55.4380 31.1872 176.1389 66 L 4.5906 8.8679 121.4461 52.2846 44.1428 178.3001 67 G 3.8409 8.2704 108.0602 47.0437 0.0000 175.9778 68 T 4.9021 8.6838 123.1216 62.4876 68.9883 173.1759 69 V 4.5248 8.9540 125.9488 59.7058 35.3387 174.2284 70 L 5.0402 8.5528 124.6890 53.6605 43.7773 175.1874 71 I 4.2880 8.4499 128.2759 59.4193 39.5457 175.6765 72 R 4.5129 8.5149 126.8536 55.8072 30.7023 177.4326 73 G 4.1139 10.0182 113.6364 47.9599 0.0000 174.6337 74 D 4.3549 8.2162 118.0671 57.1178 41.2849 176.9727 75 N 4.5988 8.0375 114.3746 54.0013 39.1206 175.0880 76 I 4.2072 7.7243 120.8159 61.4408 37.6782 175.3150 77 V 4.2506 8.9967 126.9744 64.4205 31.9644 175.1743 78 Y 5.0887 7.2280 116.4629 55.5835 41.7979 172.9348 79 I 5.1799 8.4693 119.9109 59.9125 40.3198 174.7997 80 S 4.6501 9.4903 119.5370 57.6457 65.9707 173.6252 81 R 4.1010 8.6832 120.1458 58.7263 32.1943 178.4390 82 G 3.4665 7.3924 100.6006 45.9594 0.0000 174.6044 83 K 4.1607 8.4483 125.9413 56.4623 32.2976 176.4367 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 Q 8.34 4.13 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.09 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 13 R 9.30 3.57 0.00 2.34 1.98 0.00 3.32 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 P 0.00 4.30 0.00 2.16 2.11 0.00 3.61 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 15 L 7.95 4.05 0.00 1.79 1.97 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.96 4.46 0.00 2.91 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 17 A 7.85 4.33 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 18 L 7.99 3.81 0.00 0.81 0.37 0.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.91 3.97 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 0.00 0.00 0.00 20 N 7.89 4.49 0.00 2.85 2.88 0.00 0.00 6.95 7.41 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 21 S 7.97 4.43 0.00 3.94 3.86 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 22 L 7.02 4.23 0.00 1.85 1.68 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.15 4.31 0.00 2.85 2.91 0.00 0.00 6.78 7.30 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 24 S 7.86 4.90 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.88 0.00 2.08 2.07 0.00 3.71 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 2.00 2.01 0.00 26 V 9.10 4.77 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 0.93 0.00 0.00 0.97 0.00 0.00 27 I 9.59 4.68 2.00 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 1.27 0.71 1.06 0.00 0.00 28 I 9.20 4.81 2.01 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 1.26 0.97 0.84 0.00 0.00 29 K 8.60 4.50 0.00 0.79 0.74 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.99 0.94 7.81 30 L 8.52 5.03 0.00 1.78 1.55 0.75 0.55 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 31 K 8.37 4.05 0.00 1.75 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.59 7.81 32 G 8.67 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 33 D 7.36 4.59 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.31 4.43 0.00 2.14 1.96 0.00 3.11 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 35 E 8.59 5.21 0.00 1.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 36 F 9.27 5.20 0.00 2.98 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 37 R 8.89 5.04 0.00 1.79 1.79 0.00 3.15 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 38 G 8.20 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 0.00 0.00 0.00 0.00 39 V 8.10 4.56 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 1.01 0.00 0.00 0.99 0.00 0.00 40 L 8.59 4.37 0.00 1.86 1.71 0.93 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.76 4.63 0.00 1.76 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.70 7.81 42 S 7.82 4.81 0.00 3.87 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 6.02 0.00 3.06 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 44 D 8.37 4.91 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.08 0.00 1.52 1.74 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.02 4.65 0.00 3.36 3.31 0.00 5.95 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.40 3.53 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 48 N 8.38 4.98 0.00 3.05 2.75 0.00 0.00 6.51 6.74 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 49 L 8.85 5.46 0.00 1.84 1.88 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.70 4.89 2.11 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 1.12 0.00 0.00 0.94 0.00 0.00 51 L 9.14 5.31 0.00 1.60 1.55 1.01 0.55 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 52 N 9.17 5.05 0.00 2.71 2.72 0.00 0.00 6.61 8.43 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 53 D 8.65 4.41 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.80 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 55 E 9.16 4.96 0.00 1.94 1.99 0.00 0.00 0.00 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 2.22 0.00 56 E 8.90 3.82 0.00 1.38 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 57 L 8.57 4.83 0.00 1.35 1.50 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.95 4.21 0.00 1.81 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 2.20 2.24 0.00 59 D 8.80 4.23 0.00 2.91 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 60 G 8.03 3.97 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 0.00 0.00 0.00 61 E 7.71 4.57 0.00 2.11 1.82 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 2.40 2.33 0.00 62 V 8.40 3.94 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 0.77 0.00 0.00 0.94 0.00 0.00 63 T 8.49 4.49 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 R 7.39 4.43 0.00 1.81 1.94 0.00 2.94 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 65 R 8.72 4.87 0.00 1.71 1.89 0.00 3.15 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 66 L 8.87 4.59 0.00 1.56 1.73 1.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.27 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.68 4.90 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 69 V 8.95 4.52 2.13 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 0.88 0.00 0.00 0.91 0.00 0.00 70 L 8.55 5.04 0.00 1.62 1.58 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.45 4.29 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.40 0.71 0.00 0.00 72 R 8.51 4.51 0.00 1.82 1.83 0.00 3.13 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 73 G 10.02 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 0.00 0.00 0.00 74 D 8.22 4.35 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.04 4.60 0.00 2.76 2.79 0.00 0.00 6.94 6.77 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 76 I 7.72 4.21 1.98 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 1.10 0.47 0.90 0.00 0.00 77 V 9.00 4.25 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 0.90 0.00 0.00 0.93 0.00 0.00 78 Y 7.23 5.09 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.47 5.18 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.89 0.00 0.00 80 S 9.49 4.65 0.00 3.84 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 81 R 8.68 4.10 0.00 1.79 1.90 0.00 3.24 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 82 G 7.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.45 4.16 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81