NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2773 8.1133 117.2709 56.1849 30.5401 176.4137 11 T 3.1992 8.3818 111.0751 65.7094 68.2279 174.2473 12 G 3.9971 8.1203 108.1153 47.8130 0.0000 175.2045 13 R 3.9771 7.1131 116.9574 59.0462 29.7488 178.2485 14 F 4.9323 8.5763 117.0704 58.4217 39.0509 176.3417 15 G 3.7122 8.0340 108.6556 46.6291 0.0000 172.7526 16 P 4.7835 0.0000 0.0000 62.6349 31.8662 175.8335 17 R 4.1049 7.5276 117.1593 56.8160 31.4616 176.4793 18 Y 3.9116 7.9905 116.9217 57.3664 36.2464 170.6700 19 G 4.0146 7.8974 103.9470 45.0486 0.0000 172.7858 20 L 4.0738 7.7381 117.8403 56.3347 41.1976 179.7076 21 K 3.9146 7.9912 118.0260 60.5001 32.3121 178.3486 22 I 3.6315 8.0387 118.9380 65.2632 36.9639 178.3918 23 R 4.3418 8.1339 117.5400 58.7922 29.5343 178.9414 24 V 3.5972 8.3185 119.4907 66.0637 31.5260 178.1763 25 R 4.0491 8.1047 117.1777 58.4085 29.8209 179.2319 26 V 3.5448 7.3748 117.2607 65.7786 31.4574 177.6644 27 A 3.9198 8.2067 120.5496 55.6724 18.3151 178.7034 28 D 4.5206 8.1952 115.9934 58.1949 40.9778 179.5014 29 V 3.5647 8.1879 117.8129 66.5438 31.6294 178.2478 30 E 4.2236 8.5921 117.8552 58.4946 29.1534 179.0567 31 I 3.7392 8.4602 119.7495 63.9598 38.5504 177.5729 32 K 4.1419 8.1409 119.3831 59.8650 31.6919 178.5555 33 H 5.1190 8.2012 118.5313 58.3113 29.8163 176.3773 34 K 4.5395 7.8076 116.6627 55.1331 32.4806 176.5293 35 K 4.1819 7.2575 119.2776 55.9407 32.6719 176.4348 36 K 4.2098 8.2153 119.8302 56.4068 32.9037 176.3921 37 H 5.0297 8.4652 119.9930 53.7522 32.2588 173.2712 38 K 4.5511 8.5703 121.8604 55.6972 32.4843 176.4919 39 C 4.1898 9.1594 126.9766 59.4882 31.6173 172.1999 40 P 4.3424 0.0000 0.0000 65.7064 30.7991 177.8355 41 V 3.4136 6.9593 117.0016 65.3718 32.3198 178.3569 42 C 4.5668 7.5234 120.9255 57.9023 31.2716 173.8804 43 G 4.1722 8.6553 108.2112 45.3029 0.0000 172.5305 44 F 3.9538 8.1756 119.2220 56.8378 40.2090 175.5830 45 K 5.0304 7.8281 122.8875 54.0867 29.9052 176.9108 46 K 4.8448 7.6165 121.9326 55.9136 33.8141 176.5754 47 L 5.3243 8.2519 119.3015 53.3895 43.5969 177.1095 48 K 4.9476 9.5359 122.6064 54.1671 36.5946 176.0163 49 R 3.4609 8.8732 123.8526 56.4339 30.3424 176.1581 50 A 4.2401 9.3517 128.5231 53.9736 20.0979 176.9620 51 G 3.7502 6.7316 101.7692 45.9548 0.0000 172.0090 52 T 3.4222 8.5205 118.8726 64.8407 68.1781 174.0661 53 G 4.3645 8.4892 114.2826 46.5497 0.0000 171.0304 54 I 4.8728 7.1124 120.8435 58.9659 39.5838 174.8055 55 W 4.7913 9.2811 126.5118 55.2033 33.1528 174.1663 56 M 5.6612 9.1066 121.1636 53.5525 36.1841 173.5165 57 C 5.6877 8.1894 123.8958 57.0576 32.4386 174.4474 58 G 3.5277 9.0688 116.6575 48.3993 0.0000 172.6071 59 H 4.4121 7.8666 119.8233 57.8894 30.3503 175.2518 60 C 4.2179 7.9623 114.3638 57.6989 30.4565 174.5451 61 G 3.9200 8.9997 109.2868 46.0000 0.0000 173.0379 62 Y 4.4114 7.9016 121.5421 57.3690 40.0859 174.4520 63 K 4.9426 8.3170 127.9002 54.7591 33.8513 174.8773 64 I 4.3220 9.2442 122.2972 58.9431 40.8717 174.5277 65 A 4.7159 8.4998 125.6154 51.2312 19.5121 176.3285 66 G 4.3035 8.1144 111.5891 44.4149 0.0000 171.3015 67 G 4.1122 8.1903 109.8148 45.5315 0.0000 173.9134 68 C 4.0454 8.6498 115.7434 61.9502 28.5549 174.4354 69 Y 5.0562 7.9499 113.5384 57.7064 39.2355 174.8996 70 Q 4.8037 8.0937 118.6962 53.3009 33.0410 174.2304 71 P 2.9700 0.0000 0.0000 64.1286 31.6848 176.1692 72 E 4.6512 7.6258 117.4429 54.2117 32.3913 174.9391 73 T 4.5846 8.0790 113.0592 59.8291 71.3979 175.7153 74 V 3.4870 8.4531 123.7458 66.4124 31.5752 178.2339 75 A 4.2300 7.7444 121.0252 54.9272 17.7428 179.7411 76 G 3.6538 8.5410 104.7433 47.9743 0.0000 176.0745 77 K 4.0472 7.7907 119.2483 59.1327 31.6919 179.2717 78 A 4.0681 7.8107 120.7467 54.6361 17.9318 179.9189 79 V 3.5292 7.2789 115.7607 66.4888 31.7499 176.9450 80 M 4.0248 7.2311 116.2497 58.6255 31.3290 177.9647 81 K 3.7222 7.5514 115.5970 58.9849 32.8270 176.8580 82 A 4.1676 7.9136 127.2656 53.0046 18.2079 177.3250 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 10 R 8.11 4.28 0.00 1.97 2.05 0.00 2.93 0.00 0.00 3.32 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 11 T 8.38 3.20 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 G 8.12 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 0.00 0.00 0.00 13 R 7.11 3.98 0.00 1.96 1.98 0.00 2.95 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.00 14 F 8.58 4.93 0.00 3.27 3.16 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 15 G 8.03 3.71 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 0.00 0.00 0.00 16 P 0.00 4.78 0.00 2.14 2.11 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 17 R 7.53 4.10 0.00 0.90 0.66 0.00 2.88 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 18 Y 7.99 3.91 0.00 3.04 3.04 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 19 G 7.90 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 20 L 7.74 4.07 0.00 1.72 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 3.91 0.00 1.80 1.91 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 22 I 8.04 3.63 2.09 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 1.67 1.15 0.86 0.00 0.00 23 R 8.13 4.34 0.00 2.28 2.63 0.00 3.26 0.00 0.00 3.55 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.60 0.00 24 V 8.32 3.60 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 1.03 0.00 0.00 0.98 0.00 0.00 25 R 8.10 4.05 0.00 2.04 1.92 0.00 3.16 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 26 V 7.37 3.54 2.39 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 1.04 0.00 0.00 1.13 0.00 0.00 27 A 8.21 3.92 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 28 D 8.20 4.52 0.00 2.90 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 29 V 8.19 3.56 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 0.54 0.00 0.00 0.81 0.00 0.00 30 E 8.59 4.22 0.00 2.07 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 0.00 2.29 2.51 0.00 31 I 8.46 3.74 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 1.54 0.76 0.97 0.00 0.00 32 K 8.14 4.14 0.00 2.18 1.96 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 33 H 8.20 5.12 0.00 3.48 3.60 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.81 4.54 0.00 1.86 1.85 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 K 7.26 4.18 0.00 1.86 1.68 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.72 7.81 36 K 8.22 4.21 0.00 1.69 1.70 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 H 8.47 5.03 0.00 3.03 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.57 4.55 0.00 1.62 1.75 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.16 4.19 0.00 3.05 3.04 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 40 P 0.00 4.34 0.00 2.26 2.16 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 41 V 6.96 3.41 1.69 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 0.63 0.00 0.00 -0.35 0.00 0.00 42 C 7.52 4.57 0.00 3.18 2.94 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 43 G 8.66 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.18 3.95 0.00 3.02 3.02 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 0.00 0.00 0.00 0.00 45 K 7.83 5.03 0.00 1.54 1.73 0.00 1.62 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.14 7.81 46 K 7.62 4.84 0.00 1.81 1.84 0.00 1.96 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.71 7.81 47 L 8.25 5.32 0.00 1.71 1.77 0.95 1.06 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 48 K 9.54 4.95 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 R 8.87 3.46 0.00 0.90 1.44 0.00 3.00 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 50 A 9.35 4.24 1.19 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 0.00 0.00 51 G 6.73 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 0.00 0.00 0.00 52 T 8.52 3.42 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 1.06 0.00 0.00 53 G 8.49 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 0.00 0.00 0.00 0.00 54 I 7.11 4.87 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.82 0.00 0.00 55 W 9.28 4.79 0.00 3.16 3.06 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 0.00 0.00 0.00 0.00 56 M 9.11 5.66 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 57 C 8.19 5.69 0.00 3.20 2.96 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 58 G 9.07 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.41 0.00 3.11 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.96 4.22 0.00 3.08 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 61 G 9.00 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 62 Y 7.90 4.41 0.00 3.00 2.93 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 63 K 8.32 4.94 0.00 1.69 1.54 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 64 I 9.24 4.32 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.93 0.00 0.00 65 A 8.50 4.72 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 66 G 8.11 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 0.00 0.00 0.00 0.00 67 G 8.19 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 68 C 8.65 4.05 0.00 2.50 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 0.00 0.00 0.00 69 Y 7.95 5.06 0.00 3.15 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 70 Q 8.09 4.80 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 71 P 0.00 2.97 0.00 1.61 0.88 0.00 3.04 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.23 0.00 72 E 7.63 4.65 0.00 1.82 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 2.09 2.09 0.00 73 T 8.08 4.58 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 74 V 8.45 3.49 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 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.74 4.23 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 76 G 8.54 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 4.05 0.00 2.07 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.57 7.81 78 A 7.81 4.07 1.33 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 0.00 0.00 79 V 7.28 3.53 2.26 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 0.87 0.00 0.00 0.98 0.00 0.00 80 M 7.23 4.02 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 81 K 7.55 3.72 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 A 7.91 4.17 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