NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6365 8.4449 120.3911 57.0623 31.8313 173.3448 2 T 3.2571 7.8927 111.7752 62.2346 65.3937 171.0021 3 P 4.3761 0.0000 0.0000 64.0879 32.9587 176.7756 4 T 4.1479 6.9622 107.7249 60.6025 71.3690 172.2647 5 P 4.3653 0.0000 0.0000 65.1516 31.7023 176.1605 6 T 4.5995 7.0327 108.2797 59.2074 71.7232 171.3880 7 P 4.4144 0.0000 0.0000 63.0996 32.3358 174.9298 8 I 4.7407 8.3920 125.3351 59.5256 39.7376 175.6048 9 C 5.3001 9.3224 123.6205 54.8712 44.3122 172.8652 10 K 5.3683 8.4063 118.2389 55.5974 35.2463 175.5042 11 S 5.1159 9.4397 116.3740 57.0829 66.3529 172.8933 12 R 4.0867 8.6801 122.2298 55.4830 30.7673 176.2784 13 S 4.5542 7.9294 116.0959 57.7078 64.8028 172.9366 14 H 5.0488 8.1728 114.4962 54.6050 29.5781 173.4990 15 E 4.8631 8.3060 118.1838 57.8094 37.4300 177.2869 16 Y 4.5212 7.7854 118.1822 56.7522 39.1472 176.6586 17 K 4.6912 7.5019 116.1747 54.3976 32.8200 174.6057 18 G 4.1413 7.5964 109.5139 47.0125 0.0000 170.9596 19 R 4.3330 7.2349 119.6619 54.5491 30.9103 173.7928 20 C 4.8199 8.0039 120.5983 55.7892 46.3699 173.4966 21 I 4.3490 8.4398 124.5388 60.2693 38.9407 175.5130 22 Q 4.5340 7.8043 120.9237 54.1243 30.2608 175.6115 23 D 4.3844 8.6379 126.0634 57.5603 41.0526 178.5993 24 M 3.8297 7.8494 118.5415 58.4858 31.9259 178.3877 25 D 4.2781 7.9409 118.1773 57.7534 40.8280 179.3730 26 C 4.2721 8.3233 116.8636 59.8820 34.2415 175.9982 27 N 4.4526 8.1870 119.8320 56.2286 38.6414 176.9573 28 A 3.9514 7.7656 121.4337 54.8133 18.3865 179.3720 29 A 3.5263 7.9566 119.7599 55.4270 18.1985 179.1808 30 C 4.1502 7.7468 114.5145 60.3179 40.1976 176.6703 31 V 3.7093 7.4504 114.0109 63.3608 31.1988 177.8794 32 K 4.2276 7.9137 117.6605 57.8320 32.3440 178.1531 33 E 4.1640 7.9545 118.5421 59.3446 29.9226 175.7290 34 S 4.9994 8.4449 111.5931 56.6143 65.2597 172.6319 35 E 4.6992 8.7067 116.8070 56.2141 30.9608 176.6066 36 S 4.3905 7.9348 114.4476 59.7438 64.0962 174.2753 37 Y 4.5266 7.5990 118.3709 57.7954 38.3500 175.6868 38 T 4.4743 8.6876 120.0606 60.8671 68.2267 173.8482 39 G 4.5705 7.1302 107.0332 45.7450 0.0000 171.9995 40 G 4.6686 7.2715 110.4769 45.0165 0.0000 171.4901 41 F 5.0290 8.8026 120.4801 55.6458 43.5947 173.0711 42 C 5.3928 8.4812 117.1333 55.5271 43.5686 173.3996 43 N 5.0830 9.0380 120.4112 52.0657 42.6116 173.5230 44 G 4.2469 8.8376 115.2360 44.1319 0.0000 172.9835 45 R 4.7234 8.1151 121.1039 53.0920 32.7328 173.2143 46 P 4.3326 0.0000 0.0000 61.9639 32.1871 174.9116 47 P 4.0388 0.0000 0.0000 65.3207 31.4755 176.4252 48 F 4.9349 7.5788 115.2967 54.1737 41.9759 175.0395 49 K 4.2718 8.5851 121.5298 57.5036 32.7459 175.9985 50 Q 4.5722 9.1076 121.9404 54.7519 33.0724 172.4919 51 C 5.3127 8.6907 123.4315 54.8296 46.7800 172.7398 52 F 5.0310 9.2793 124.0447 55.9911 41.9459 173.8851 53 C 5.4776 9.3561 120.4016 55.5770 40.3717 172.7708 54 T 5.5361 9.1557 110.7193 60.0553 71.7994 172.9855 55 K 5.0545 9.0820 122.1406 54.5565 36.7652 174.1701 56 P 4.7350 0.0000 0.0000 62.8972 29.3230 177.0777 57 C 4.5264 8.3955 128.9156 57.4272 44.7958 170.7159 58 K 4.4339 8.2203 117.9612 55.4900 34.5171 175.9510 59 R 3.8207 8.3635 120.7529 56.4301 29.0989 173.7477 60 E 4.5538 8.0313 114.3959 56.3260 32.3750 177.0784 61 R 4.2979 7.5931 115.5214 56.0948 32.0669 175.9163 62 A 3.6447 7.9536 118.4743 52.3119 16.0857 175.4699 63 A 4.2107 7.1208 120.0246 53.5712 21.9765 174.6701 64 A 4.9438 8.2448 120.6057 51.8266 22.1182 174.3239 65 T 4.5394 8.4905 109.1826 64.4837 75.8201 174.7184 66 L 3.5828 7.6817 122.9185 54.1092 42.3073 172.8645 67 R 4.2571 8.2408 120.0042 55.2488 31.7597 175.3324 68 W 3.6256 8.1139 120.6191 57.1642 25.7661 172.7695 69 P 4.5459 0.0000 0.0000 63.3207 32.7030 179.3757 70 G 4.3492 6.7779 106.7479 46.3495 0.0000 172.1122 71 L 4.3543 8.3703 126.0017 54.5703 42.0609 175.8825 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 H 8.44 4.64 0.00 3.08 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.89 3.26 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 1.18 0.00 0.00 3 P 0.00 4.38 0.00 2.15 2.16 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 4 T 6.96 4.15 4.37 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 1.19 0.00 0.00 5 P 0.00 4.37 0.00 2.19 2.21 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 6 T 7.03 4.60 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 P 0.00 4.41 0.00 2.15 2.49 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 8 I 8.39 4.74 1.85 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 1.57 0.93 0.92 0.00 0.00 9 C 9.32 5.30 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.41 5.37 0.00 1.29 1.54 0.00 1.25 0.00 0.00 1.45 0.00 0.00 2.43 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.14 0.96 7.81 11 S 9.44 5.12 0.00 4.19 3.96 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 12 R 8.68 4.09 0.00 1.37 1.16 0.00 2.95 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 13 S 7.93 4.55 0.00 3.66 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 14 H 8.17 5.05 0.00 3.13 3.18 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.31 4.86 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 2.24 2.27 0.00 16 Y 7.79 4.52 0.00 2.86 2.86 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 17 K 7.50 4.69 0.00 1.71 1.85 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.42 7.81 18 G 7.60 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 0.00 0.00 0.00 0.00 19 R 7.23 4.33 0.00 1.58 1.66 0.00 3.20 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 20 C 8.00 4.82 0.00 2.86 2.86 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 21 I 8.44 4.35 1.89 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 1.42 1.07 0.93 0.00 0.00 22 Q 7.80 4.53 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 23 D 8.64 4.38 0.00 2.45 2.34 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 24 M 7.85 3.83 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 25 D 7.94 4.28 0.00 2.96 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 26 C 8.32 4.27 0.00 3.23 3.13 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 27 N 8.19 4.45 0.00 2.81 2.83 0.00 0.00 6.95 8.75 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 28 A 7.77 3.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.53 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.75 4.15 0.00 3.18 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 31 V 7.45 3.71 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 0.98 0.00 0.00 0.96 0.00 0.00 32 K 7.91 4.23 0.00 1.79 1.74 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.48 7.81 33 E 7.95 4.16 0.00 2.21 2.00 0.00 0.00 0.00 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 2.41 0.00 34 S 8.44 5.00 0.00 4.06 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 35 E 8.71 4.70 0.00 1.93 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 2.21 2.29 0.00 36 S 7.93 4.39 0.00 3.57 3.37 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 37 Y 7.60 4.53 0.00 3.05 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 38 T 8.69 4.47 4.27 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 1.26 0.00 0.00 39 G 7.13 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 4.67 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 0.00 0.00 0.00 41 F 8.80 5.03 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.48 5.39 0.00 2.85 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 43 N 9.04 5.08 0.00 2.94 2.68 0.00 0.00 7.02 8.00 0.00 0.00 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 G 8.84 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 0.00 0.00 0.00 0.00 45 R 8.12 4.72 0.00 1.88 1.88 0.00 3.08 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 46 P 0.00 4.33 0.00 2.12 2.01 0.00 3.76 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 1.96 1.92 0.00 47 P 0.00 4.04 0.00 1.18 1.94 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 48 F 7.58 4.93 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.27 0.00 1.65 1.79 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.56 7.81 50 Q 9.11 4.57 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 5.11 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 51 C 8.69 5.31 0.00 3.05 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 52 F 9.28 5.03 0.00 3.04 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 53 C 9.36 5.48 0.00 2.24 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.16 5.54 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 55 K 9.08 5.05 0.00 1.94 1.95 0.00 1.09 0.00 0.00 1.34 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 P 0.00 4.74 0.00 2.09 2.14 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 57 C 8.40 4.53 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 58 K 8.22 4.43 0.00 1.75 1.72 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.37 7.81 59 R 8.36 3.82 0.00 1.93 1.95 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 60 E 8.03 4.55 0.00 1.96 1.81 0.00 0.00 0.00 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 2.25 0.00 61 R 7.59 4.30 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 62 A 7.95 3.64 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 63 A 7.12 4.21 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 64 A 8.24 4.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.49 4.54 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 1.13 0.00 0.00 66 L 7.68 3.58 0.00 1.75 1.68 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.24 4.26 0.00 1.76 1.76 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.00 68 W 8.11 3.63 0.00 3.66 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 69 P 0.00 4.55 0.00 2.19 2.19 0.00 3.96 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 2.00 1.95 0.00 70 G 6.78 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.37 4.35 0.00 1.62 1.57 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00