NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4940 8.2893 120.3342 55.2653 33.5611 176.7163 2 D 4.6027 8.5480 124.8984 52.4825 37.0738 172.3745 3 Y 4.7732 8.6829 126.6222 59.6745 42.1772 178.5052 4 L 3.9212 7.9899 118.5886 56.9961 41.8719 179.0326 5 R 3.9393 8.1620 118.8172 59.5755 29.7486 178.1415 6 E 4.1215 7.9719 117.9158 58.9407 29.3301 179.3194 7 L 4.1110 7.8244 118.9179 57.5367 41.9059 178.1082 8 Y 3.9528 8.3819 120.5479 60.6992 38.6749 178.0392 9 K 4.4970 8.2579 114.5127 57.7474 32.8867 177.4891 10 L 4.5714 7.3751 120.3379 56.6007 43.0581 178.4710 11 E 3.9658 8.5160 118.7974 59.6925 29.4611 179.5267 12 Q 4.0358 8.3936 118.1675 58.7267 27.5304 178.7441 13 Q 4.0035 8.1264 118.7774 58.8041 28.7999 178.3112 14 A 4.0897 8.3441 122.1116 55.2733 18.3541 179.1147 15 M 4.0312 8.2929 116.8727 58.9776 32.0442 178.1046 16 K 3.8392 7.8044 118.2693 59.3962 32.3932 177.7326 17 L 4.3492 7.3442 115.4296 56.9515 42.0890 178.4465 18 Y 4.1630 8.0087 116.0884 60.9402 37.8476 178.5219 19 R 4.1563 7.8248 115.6359 58.1436 29.6740 178.1187 20 E 4.1428 7.9060 119.7723 58.9632 30.0217 177.9803 21 A 4.1262 8.1455 120.5319 54.5562 18.2232 179.3801 22 S 4.0398 7.5242 112.6961 61.8285 62.2375 176.1294 23 E 3.9282 8.0858 119.7929 59.0579 29.4522 178.2921 24 R 4.0294 7.7967 117.8256 59.2868 30.4027 178.0715 25 V 3.8430 7.9832 117.3229 63.9094 31.6152 176.9329 26 G 3.8763 8.2510 105.0141 46.0776 0.0000 172.3089 27 D 4.8945 7.7729 119.3605 51.8083 42.6299 176.0836 28 P 4.3730 0.0000 0.0000 65.7477 31.4647 179.2330 29 V 3.6428 7.7876 118.6423 64.3841 30.7608 177.9539 30 L 3.9682 7.6931 119.8350 58.0866 42.0839 178.8857 31 A 4.0392 7.9285 120.2404 54.9124 18.4144 179.3460 32 K 3.9607 8.1101 118.3117 59.4571 32.2097 179.2483 33 I 3.4731 7.7736 120.5218 64.1422 36.8072 178.4189 34 L 3.8492 7.0818 117.9865 58.5181 40.1365 178.9236 35 E 3.9932 7.6336 118.4778 59.4750 29.5020 178.9814 36 D 4.1885 7.8502 118.8272 57.1568 40.6160 178.3436 37 E 3.8436 7.9935 118.1335 58.1361 29.3008 179.0502 38 E 3.7013 7.6177 119.4699 59.1774 29.4217 179.0950 39 K 3.0779 7.0983 117.6413 59.3340 31.6783 178.3501 40 H 4.4784 7.1251 112.7031 56.8484 28.7316 176.2943 41 I 3.9429 6.9458 121.8383 62.2436 38.9231 176.9194 42 E 3.8865 7.9552 120.0481 59.3500 29.3953 179.0516 43 W 4.4024 8.1716 119.1412 59.7733 28.9138 178.4198 44 L 4.0264 7.9349 118.9412 57.7362 41.8216 178.3698 45 E 4.2659 8.5754 119.7088 59.6737 29.6037 178.7121 46 T 3.9235 8.1224 115.7317 66.8889 68.6206 176.3142 47 I 3.9878 7.9892 119.6875 62.8468 37.2350 176.2299 48 N 4.4965 8.0218 118.2403 53.6976 39.2852 174.9584 49 G 4.0602 7.8103 111.5604 46.3378 0.0000 173.2099 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 8.29 4.49 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 D 8.55 4.60 0.00 2.87 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 3 Y 8.68 4.77 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.99 3.92 0.00 1.83 1.81 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.16 3.94 0.00 1.85 1.97 0.00 3.35 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 6 E 7.97 4.12 0.00 2.16 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 0.00 2.38 2.40 0.00 7 L 7.82 4.11 0.00 1.97 1.73 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.38 3.95 0.00 3.20 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 9 K 8.26 4.50 0.00 1.98 1.98 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.46 7.81 10 L 7.38 4.57 0.00 1.90 1.75 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.52 3.97 0.00 1.83 1.91 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 2.42 2.45 0.00 12 Q 8.39 4.04 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.68 0.00 13 Q 8.13 4.00 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 14 A 8.34 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.29 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 16 K 7.80 3.84 0.00 2.10 1.90 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 17 L 7.34 4.35 0.00 1.69 1.53 0.85 0.77 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 18 Y 8.01 4.16 0.00 3.18 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 19 R 7.82 4.16 0.00 1.93 2.09 0.00 3.12 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 20 E 7.91 4.14 0.00 2.19 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 2.34 2.30 0.00 21 A 8.15 4.13 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 22 S 7.52 4.04 0.00 4.25 3.90 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 0.00 0.00 0.00 23 E 8.09 3.93 0.00 2.00 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 2.29 2.37 0.00 24 R 7.80 4.03 0.00 1.84 2.06 0.00 3.44 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 25 V 7.98 3.84 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 0.98 0.00 0.00 26 G 8.25 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.77 4.89 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.25 2.30 0.00 3.70 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 2.07 2.01 0.00 29 V 7.79 3.64 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 0.94 0.00 0.00 0.92 0.00 0.00 30 L 7.69 3.97 0.00 1.86 1.82 0.97 1.23 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 31 A 7.93 4.04 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 32 K 8.11 3.96 0.00 1.86 1.94 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.46 7.81 33 I 7.77 3.47 1.68 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 1.41 0.77 -0.03 0.00 0.00 34 L 7.08 3.85 0.00 1.76 1.73 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.63 3.99 0.00 2.14 1.94 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 2.26 2.44 0.00 36 D 7.85 4.19 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.84 0.00 1.80 1.84 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 2.22 2.25 0.00 38 E 7.62 3.70 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 39 K 7.10 3.08 0.00 1.33 0.74 0.00 1.21 0.00 0.00 1.36 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.88 0.76 7.81 40 H 7.13 4.48 0.00 3.19 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 6.95 3.94 1.78 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.63 0.00 0.00 42 E 7.96 3.89 0.00 1.87 1.73 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 2.39 2.37 0.00 43 W 8.17 4.40 0.00 3.43 3.03 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 0.00 0.00 0.00 44 L 7.93 4.03 0.00 1.68 1.78 1.03 0.72 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 45 E 8.58 4.27 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 46 T 8.12 3.92 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 1.27 0.00 0.00 47 I 7.99 3.99 2.07 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 1.16 0.33 0.91 0.00 0.00 48 N 8.02 4.50 0.00 2.96 3.04 0.00 0.00 7.35 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 49 G 7.81 4.06 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 0.00 0.00 0.00