NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3856 0.0000 0.0000 62.0311 33.0477 177.3213 17 S 4.5619 8.8147 115.3703 57.1678 63.0448 173.3045 18 R 4.6760 8.2601 120.6684 54.1835 32.0487 174.5613 19 K 4.5481 8.1378 116.2623 55.6299 36.5939 175.7086 20 A 4.3351 7.2987 117.8731 47.8783 21.9457 172.1313 21 K 4.1944 8.2143 122.5928 55.1128 34.0875 176.2063 22 V 4.1229 8.0523 123.3172 62.4049 33.3824 177.3542 23 K 3.8214 7.6288 120.2198 59.7548 31.9201 178.6977 24 A 4.8118 7.7261 119.2857 53.2667 18.1500 177.7265 25 T 4.5019 7.7733 116.1764 64.0166 70.7460 174.0286 26 L 4.8237 7.7792 122.7418 52.9294 45.0070 176.7674 27 G 3.8627 8.6773 119.0455 45.5309 0.0000 171.7449 28 E 3.7704 8.3699 123.3573 55.9597 28.8390 176.2796 29 F 4.8678 8.4174 127.0280 55.8989 40.5665 174.9183 30 D 4.2572 8.1919 128.8498 53.6032 40.4441 176.3361 31 L 3.8998 7.8562 127.8535 55.2639 41.2378 177.9944 32 R 4.4869 8.0893 115.3824 55.7483 31.2631 175.9982 33 D 4.2867 7.1245 119.2974 51.3152 41.1376 175.5955 34 Y 4.1594 7.6880 122.4628 59.7910 38.5062 178.6522 35 R 4.3719 6.1464 116.0741 56.5429 30.0575 176.6501 36 N 4.7287 8.6208 117.5471 56.0383 39.5074 177.1406 37 V 2.8897 7.6867 110.4886 64.4237 32.6213 176.4067 38 E 4.0270 9.0231 123.0716 58.9495 30.3475 178.5119 39 V 3.9268 8.3292 119.3162 65.0837 32.2204 177.7040 40 L 4.6080 8.3180 119.0145 57.7492 41.3731 179.0574 41 K 3.9869 8.3950 118.5106 58.3812 32.7590 177.3251 42 R 4.4084 7.4570 118.4926 55.2071 29.7551 176.6131 43 F 4.6450 7.5573 112.8850 58.2054 43.7546 176.4962 44 L 4.2088 7.9454 123.6065 56.2340 42.0139 178.5197 45 S 3.7809 7.7128 112.4848 59.7311 63.1633 171.7022 46 E 4.5033 8.3218 113.2357 58.2751 31.8538 176.9839 47 T 3.9214 7.8315 111.3337 63.9247 68.8297 173.6434 48 G 4.4675 7.7783 111.0964 46.3450 0.0000 174.0750 49 K 4.6698 7.7646 131.0123 56.6710 33.8538 181.7692 50 I 4.5851 8.3638 122.4388 59.9743 38.5456 170.6272 51 L 4.0835 8.5293 124.7311 53.3482 42.1072 175.0844 52 P 4.2962 0.0000 0.0000 62.0086 32.0564 177.4384 53 R 4.3517 8.8026 117.2299 59.0342 29.9513 178.8346 54 R 3.9312 7.9581 114.8682 57.9276 30.8237 175.5338 55 R 4.8593 9.8818 114.9514 58.3611 36.8096 177.5102 56 T 3.9616 8.5226 108.5016 62.7725 68.7247 174.4743 57 G 4.1260 8.0417 109.2553 46.6340 0.0000 172.9403 58 L 4.7936 7.9083 117.1461 52.6223 44.7688 177.7540 59 S 4.8344 8.1213 116.0317 57.5836 66.8288 174.2675 60 G 3.5377 8.7008 106.8084 48.2924 0.0000 175.7572 61 K 4.1118 7.8153 122.2142 58.9433 32.5650 177.3842 62 E 4.1065 9.1253 119.1062 57.7346 28.9348 178.8367 63 Q 3.9075 7.3263 121.4436 60.5563 29.5432 178.8954 64 R 3.9823 8.3850 119.1914 58.9018 29.9569 178.8488 65 I 3.6643 8.3283 112.6153 64.1158 37.8224 178.1354 66 L 3.8822 8.0433 121.9590 58.7152 39.9618 178.7987 67 A 3.8909 8.3472 122.0347 54.7701 18.2031 179.6625 68 K 4.1116 8.3480 117.3822 59.5582 32.6088 178.4284 69 T 3.8839 8.3897 109.9157 65.7390 68.6590 176.9065 70 I 3.5568 7.9997 124.1044 63.1395 36.9704 177.8901 71 K 3.9829 8.5339 119.8699 59.7171 31.9298 179.3740 72 R 3.8805 8.2672 118.1737 60.2405 29.7894 177.9315 73 A 4.0682 8.6038 119.4404 54.7704 18.4233 179.0423 74 R 4.2360 8.6786 114.1763 60.1362 30.4626 178.4021 75 I 3.5266 8.0605 115.0660 66.1897 37.1623 176.8966 76 L 4.1963 8.1703 123.0643 57.4788 42.3792 179.2203 77 G 3.7331 8.5307 107.3490 46.1759 0.0000 174.4305 78 L 3.6215 8.7130 122.3591 54.6196 38.7239 174.2015 79 L 4.6831 7.3138 118.6601 54.7966 41.5726 172.6238 80 P 3.4812 0.0000 0.0000 63.0233 30.7188 176.6877 81 F 4.0672 7.8562 111.6919 58.4766 37.4468 174.5461 82 T 4.6074 7.0071 113.0050 62.2654 69.3088 170.9624 83 E 5.4709 8.6446 127.8362 56.9214 30.6477 171.1660 84 K 3.6756 8.3559 126.7757 55.1043 32.6985 174.6441 85 L 4.5614 8.3103 124.4839 52.8235 43.4430 175.8303 86 V 3.7905 8.1794 126.7176 63.9026 33.7055 172.7801 87 R 4.1204 9.2954 127.1590 54.0391 25.2910 175.6270 88 K 4.1440 9.1931 126.4003 57.6304 33.1528 173.6342 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 16 P 0.00 4.39 0.00 2.06 1.91 0.00 3.59 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 1.92 2.08 0.00 17 S 8.81 4.56 0.00 3.85 3.75 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 18 R 8.26 4.68 0.00 1.77 1.79 0.00 3.40 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 19 K 8.14 4.55 0.00 1.67 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 20 A 7.30 4.34 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.19 0.00 1.88 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.47 7.81 22 V 8.05 4.12 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 0.82 0.00 0.00 0.94 0.00 0.00 23 K 7.63 3.82 0.00 1.86 1.83 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.55 7.81 24 A 7.73 4.81 1.26 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 0.00 0.00 0.00 25 T 7.77 4.50 4.09 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 1.11 0.00 0.00 26 L 7.78 4.82 0.00 1.32 1.32 0.84 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.68 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 0.00 0.00 0.00 28 E 8.37 3.77 0.00 1.97 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 2.33 2.31 0.00 29 F 8.42 4.87 0.00 3.02 3.01 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 30 D 8.19 4.26 0.00 2.65 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 31 L 7.86 3.90 0.00 1.51 1.54 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.09 4.49 0.00 2.05 1.83 0.00 3.06 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 33 D 7.12 4.29 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 4.16 0.00 3.20 3.19 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 0.00 0.00 0.00 0.00 35 R 6.15 4.37 0.00 1.89 1.96 0.00 3.27 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.13 0.00 36 N 8.62 4.73 0.00 2.99 2.92 0.00 0.00 6.86 8.12 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 37 V 7.69 2.89 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 0.93 0.00 0.00 1.03 0.00 0.00 38 E 9.02 4.03 0.00 2.14 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 0.00 2.29 2.36 0.00 39 V 8.33 3.93 2.54 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 0.90 0.00 0.00 0.98 0.00 0.00 40 L 8.32 4.61 0.00 1.85 1.84 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.40 3.99 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 42 R 7.46 4.41 0.00 1.24 1.36 0.00 3.25 0.00 0.00 2.96 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.63 0.00 43 F 7.56 4.64 0.00 3.16 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 44 L 7.95 4.21 0.00 1.86 1.96 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.71 3.78 0.00 4.13 3.20 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 0.00 0.00 0.00 46 E 8.32 4.50 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 47 T 7.83 3.92 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 1.24 0.00 0.00 48 G 7.78 4.47 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 49 K 7.76 4.67 0.00 1.64 1.37 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 50 I 8.36 4.59 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.92 0.00 0.00 51 L 8.53 4.08 0.00 1.58 1.78 1.05 0.96 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 52 P 0.00 4.30 0.00 2.23 2.25 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 53 R 8.80 4.35 0.00 1.90 2.08 0.00 3.82 0.00 0.00 3.46 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 54 R 7.96 3.93 0.00 1.75 1.99 0.00 3.31 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 1.64 1.77 0.00 55 R 9.88 4.86 0.00 2.06 1.90 0.00 3.36 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 56 T 8.52 3.96 4.34 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 1.49 0.00 0.00 57 G 8.04 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.91 4.79 0.00 1.74 1.60 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.12 4.83 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 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 61 K 7.82 4.11 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.65 7.81 62 E 9.13 4.11 0.00 2.15 1.76 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 2.40 2.44 0.00 63 Q 7.33 3.91 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 64 R 8.39 3.98 0.00 2.10 1.87 0.00 3.13 0.00 0.00 3.22 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 65 I 8.33 3.66 1.84 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 1.98 0.75 0.93 0.00 0.00 66 L 8.04 3.88 0.00 1.78 1.94 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.35 3.89 1.42 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 0.00 0.00 0.00 68 K 8.35 4.11 0.00 1.87 2.03 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 69 T 8.39 3.88 4.30 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 1.27 0.00 0.00 70 I 8.00 3.56 1.96 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 1.44 0.80 0.94 0.00 0.00 71 K 8.53 3.98 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 72 R 8.27 3.88 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 73 A 8.60 4.07 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.68 4.24 0.00 2.08 2.46 0.00 3.45 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 75 I 8.06 3.53 2.06 0.00 0.00 0.88 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 0.35 0.89 0.00 0.00 76 L 8.17 4.20 0.00 1.61 1.71 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.53 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 78 L 8.71 3.62 0.00 1.87 1.86 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.31 4.68 0.00 1.77 1.80 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.48 0.00 2.35 2.13 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 81 F 7.86 4.07 0.00 3.15 3.42 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 0.00 82 T 7.01 4.61 4.36 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 1.44 0.00 0.00 83 E 8.64 5.47 0.00 1.93 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 1.99 2.16 0.00 84 K 8.36 3.68 0.00 1.95 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 85 L 8.31 4.56 0.00 1.56 1.55 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.18 3.79 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 0.85 0.00 0.00 0.93 0.00 0.00 87 R 9.30 4.12 0.00 1.89 2.02 0.00 3.58 0.00 0.00 3.15 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 88 K 9.19 4.14 0.00 1.87 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81