NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1385 8.2549 117.2651 55.0204 30.9267 175.1047 2 P 4.2957 0.0000 0.0000 62.2768 32.1923 175.5841 3 D 4.4841 8.3736 118.9849 56.4624 42.1130 178.7249 4 F 4.2667 8.3592 114.8129 60.0307 37.4165 177.6903 5 C 4.2261 6.6657 115.2716 58.9157 39.9948 174.7800 6 L 4.3091 7.8235 119.5680 54.0160 42.1718 176.6970 7 E 4.1998 7.5089 117.2904 55.4316 30.2567 175.1234 8 P 4.5019 0.0000 0.0000 60.9587 32.3567 174.5930 9 P 3.5473 0.0000 0.0000 62.7161 31.1466 175.2421 10 Y 4.7000 7.8644 121.8404 56.0039 40.2090 176.2392 11 T 4.1316 8.3134 125.4097 64.6193 68.8696 176.1575 12 G 3.7423 6.0504 109.0538 43.4647 0.0000 171.2884 13 P 4.3194 0.0000 0.0000 64.7338 31.6186 177.4192 14 C 4.5363 7.7515 116.6241 56.5930 40.8680 173.8229 15 K 4.0553 8.1834 118.3454 56.6543 32.5611 177.1326 16 A 4.0985 7.8437 121.8520 51.6856 19.5710 177.1233 17 R 4.7026 7.8767 115.6144 54.5960 29.8311 175.3616 18 I 4.2768 7.9790 120.9123 59.2608 39.4659 176.8516 19 I 3.9251 8.3831 128.4888 62.1488 37.5512 175.5897 20 R 4.6166 8.4238 124.8284 54.5985 35.1986 173.3205 21 Y 5.6097 9.2440 116.8991 56.4953 41.5017 175.3554 22 F 5.6639 9.4610 117.8499 55.0030 41.7701 173.4405 23 Y 4.2859 9.3951 122.7340 57.6909 39.9999 174.1896 24 N 4.7773 8.0030 125.9150 51.3263 38.6500 174.4819 25 A 3.8289 8.5110 128.7867 55.0194 18.2071 178.4057 26 K 3.7761 7.2468 114.0694 60.0194 32.4009 177.6287 27 A 4.0133 7.8893 122.0060 52.7104 18.6721 177.5525 28 G 3.8831 8.1280 103.8987 45.2022 0.0000 173.3351 29 L 4.5490 6.6569 116.9965 54.3008 43.7276 174.6388 30 C 4.8798 8.6908 117.5844 57.1707 42.1647 172.9317 31 Q 4.8725 8.5786 121.1351 53.9652 33.0819 174.5300 32 T 4.7793 8.5827 110.5325 61.8329 70.0474 173.9567 33 F 5.0608 8.9702 117.4769 55.5550 41.9656 173.3185 34 V 4.0161 8.4695 120.6234 62.8316 32.0737 174.3353 35 Y 4.7656 8.7353 130.2366 56.2060 40.2764 176.4575 36 G 3.8626 8.3648 113.4851 46.6838 0.0000 174.2623 37 G 3.0945 5.8395 110.6822 44.8541 0.0000 172.4715 38 C 5.0326 6.9020 113.3605 54.3812 44.8536 173.1091 39 R 3.8246 8.7956 116.0154 57.3532 26.8137 176.9032 40 A 4.3468 8.2896 119.1426 52.3249 19.1951 177.9897 41 K 4.5098 8.2927 120.1702 54.6345 34.2568 177.2773 42 R 3.7469 8.2460 118.4459 59.0742 30.3333 177.5194 43 N 5.0156 8.0445 117.9970 51.3394 36.8285 173.3744 44 N 5.0576 7.1178 116.0388 52.7762 42.1558 173.5408 45 F 4.9417 9.4752 125.6289 55.5133 42.1300 176.2095 46 K 3.9579 9.3976 125.3214 58.7792 32.5399 177.1179 47 S 4.7773 8.0526 112.3390 56.1313 65.0059 174.2757 48 A 3.2546 7.8689 130.5610 54.9247 18.0025 179.2499 49 E 3.7431 7.8616 117.2560 59.3772 29.6616 178.5265 50 D 4.2444 7.7517 118.4318 57.4408 40.8622 177.9193 51 C 2.4500 7.4479 118.5577 59.5499 38.0623 175.4710 52 M 3.8263 8.0544 120.5231 58.4167 31.2667 178.8327 53 R 3.8726 7.7594 117.9936 59.5099 30.3526 178.3470 54 T 4.1339 7.9602 115.1905 65.6845 68.5409 174.8392 55 C 4.5206 7.7669 115.1575 56.2319 41.0701 174.2267 56 G 4.1960 7.6016 113.9818 45.0921 0.0000 174.0769 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 R 8.25 4.14 0.00 1.66 1.83 0.00 2.91 0.00 0.00 2.77 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 2 P 0.00 4.30 0.00 1.73 2.11 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 3 D 8.37 4.48 0.00 2.80 2.73 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 4 F 8.36 4.27 0.00 3.43 3.31 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 5 C 6.67 4.23 0.00 3.01 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 6 L 7.82 4.31 0.00 1.71 1.75 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.51 4.20 0.00 2.11 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 2.40 2.63 0.00 8 P 0.00 4.50 0.00 1.98 1.94 0.00 3.66 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 1.99 2.05 0.00 9 P 0.00 3.55 0.00 0.97 0.49 0.00 3.30 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.86 4.70 0.00 2.92 2.90 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 11 T 8.31 4.13 4.12 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 0.00 0.00 0.00 1.19 0.00 0.00 12 G 6.05 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 14 C 7.75 4.54 0.00 2.81 2.98 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 0.00 0.00 0.00 15 K 8.18 4.06 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 16 A 7.84 4.10 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.88 4.70 0.00 1.60 1.79 0.00 3.16 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 18 I 7.98 4.28 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.93 0.00 0.00 19 I 8.38 3.93 1.75 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 1.28 0.68 0.57 0.00 0.00 20 R 8.42 4.62 0.00 0.67 1.63 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 21 Y 9.24 5.61 0.00 3.23 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 22 F 9.46 5.66 0.00 3.09 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 23 Y 9.40 4.29 0.00 3.12 3.11 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 24 N 8.00 4.78 0.00 2.29 2.44 0.00 0.00 6.65 7.71 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 25 A 8.51 3.83 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 26 K 7.25 3.78 0.00 1.79 1.89 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.55 7.81 27 A 7.89 4.01 1.20 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 0.00 0.00 28 G 8.13 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 29 L 6.66 4.55 0.00 1.67 1.69 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 4.88 0.00 2.85 3.11 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 31 Q 8.58 4.87 0.00 1.42 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 32 T 8.58 4.78 4.15 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 0.00 0.00 1.17 0.00 0.00 33 F 8.97 5.06 0.00 2.95 3.11 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 34 V 8.47 4.02 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 0.69 0.00 0.00 0.90 0.00 0.00 35 Y 8.74 4.77 0.00 2.47 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 36 G 8.36 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 37 G 5.84 3.09 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 0.00 0.00 0.00 0.00 38 C 6.90 5.03 0.00 3.05 2.98 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 0.00 0.00 0.00 39 R 8.80 3.82 0.00 2.17 2.28 0.00 3.29 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.29 4.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 4.51 0.00 1.79 1.87 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.44 7.81 42 R 8.25 3.75 0.00 1.64 1.12 0.00 2.99 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 43 N 8.04 5.02 0.00 3.18 2.88 0.00 0.00 6.71 7.79 0.00 0.00 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 N 7.12 5.06 0.00 2.82 2.69 0.00 0.00 7.08 7.02 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 45 F 9.48 4.94 0.00 3.40 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 46 K 9.40 3.96 0.00 1.81 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 47 S 8.05 4.78 0.00 3.93 3.91 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 48 A 7.87 3.25 0.33 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 49 E 7.86 3.74 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 50 D 7.75 4.24 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.45 2.45 0.00 2.56 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 52 M 8.05 3.83 0.00 1.98 1.98 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 2.63 2.49 0.00 53 R 7.76 3.87 0.00 1.72 1.94 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.96 4.13 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 1.54 0.00 0.00 55 C 7.77 4.52 0.00 2.61 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 0.00 0.00 0.00 56 G 7.60 4.20 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 0.00 0.00 0.00