NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5897 8.1476 120.3563 54.9824 33.0337 176.0223 2 E 3.9586 8.8219 123.9941 59.1566 29.4725 177.4531 3 Y 3.9207 8.1053 117.7004 60.8033 38.4236 179.3192 4 V 3.5961 7.6982 118.7589 66.1345 31.6810 177.6000 5 Y 4.2478 7.8512 116.3113 60.9353 37.6765 178.2363 6 A 3.9983 8.4800 121.9267 55.0914 18.3757 179.6017 7 A 3.9749 8.0705 119.2191 55.3606 18.4440 179.9109 8 L 3.9718 8.1696 117.6821 57.6827 41.5348 179.2275 9 L 3.9548 8.2812 120.5900 58.3284 41.9703 178.8468 10 L 3.9933 8.0315 118.5888 58.3301 41.7655 179.1731 11 H 4.1584 8.6041 118.4470 59.3024 29.5927 177.4080 12 S 4.2777 8.2444 114.8976 60.3709 62.8513 175.8245 13 V 4.3526 7.1291 114.5371 60.5094 31.8044 176.0020 14 G 3.8583 7.6035 105.2695 46.1997 0.0000 173.9764 15 K 4.5283 8.0061 118.5517 53.8957 33.8015 176.2806 16 E 4.0488 8.5238 123.5156 56.3457 30.0723 177.4993 17 I 4.1107 8.1677 127.6476 60.2542 35.9175 174.7473 18 N 5.1547 7.9069 122.6139 49.8557 41.8810 174.9761 19 E 3.9557 8.5631 118.9243 59.5687 29.5025 178.9453 20 E 3.9290 8.2361 118.7005 59.6781 29.6400 178.6213 21 N 4.3865 8.0785 115.7064 56.1301 38.7603 177.3311 22 L 3.9880 8.0336 120.3828 57.7216 41.6985 179.6060 23 K 3.9293 8.4348 118.5192 59.4733 32.0671 179.1289 24 A 3.9761 7.9671 120.8630 55.1830 17.9171 179.8436 25 V 3.5026 7.7131 116.5795 66.0909 31.6281 178.2315 26 L 3.9067 7.9520 118.6125 57.8400 41.4943 179.2222 27 Q 3.9590 8.3808 118.1646 59.2916 28.5378 179.4105 28 A 4.2939 7.7949 119.3182 54.4461 18.4172 178.4531 29 A 4.3901 7.3741 116.8691 51.6901 18.9323 177.8672 30 G 3.7744 8.2317 105.9764 46.0755 0.0000 173.8464 31 V 3.9373 7.5256 119.5891 61.3865 32.1164 176.0175 32 E 4.1938 8.5489 126.8062 55.4953 30.0917 174.8786 33 P 4.4289 0.0000 0.0000 62.6275 31.9987 177.0192 34 E 4.5740 8.5833 122.2665 53.4059 30.9302 175.9334 35 E 3.9091 8.6096 124.3932 59.2565 29.8647 178.0237 36 A 4.0328 7.9820 120.0702 55.3322 18.4343 179.6226 37 R 3.7161 7.7571 115.8923 58.8295 30.2506 179.0460 38 I 3.7526 7.9455 120.0301 64.3962 37.1051 178.4238 39 K 3.9542 8.5534 120.5677 59.3084 31.9538 178.6179 40 A 3.9266 8.1057 121.2331 54.9763 18.2692 179.3568 41 L 3.8273 7.8411 118.7515 58.3008 42.0837 179.2910 42 V 3.5597 7.8376 117.9204 65.9837 31.2174 177.8157 43 A 3.9573 8.0896 119.3192 55.1922 18.3295 179.1318 44 A 4.0576 8.1908 118.4989 54.8433 18.7608 178.9810 45 L 4.3504 7.8513 115.5313 54.0022 42.0914 176.4092 46 E 4.0932 7.2640 121.5157 57.3072 29.8257 177.2958 47 G 3.9283 8.8813 113.7283 45.5834 0.0000 173.3974 48 V 3.6658 7.4380 120.4839 62.3148 32.0576 176.0741 49 N 4.5931 8.5758 125.7639 52.8302 38.3644 175.1165 50 I 3.6858 8.0541 129.3094 64.2358 37.3628 177.7768 51 D 4.3708 8.0371 119.2937 57.2705 40.7990 178.5902 52 E 3.9269 8.4127 119.1131 59.2728 29.2792 179.1959 53 V 3.5845 7.5420 117.0487 66.3289 31.8020 177.8406 54 I 3.8744 8.0338 119.7429 64.3408 36.7441 178.3383 55 E 4.0674 8.0009 117.2711 59.0278 29.8333 178.5887 56 K 4.1011 8.2051 117.3955 56.1997 32.3860 176.6947 57 A 3.7473 7.9538 121.4143 52.1388 16.8624 176.6354 58 A 4.1699 7.5962 126.7931 53.8019 19.4145 176.9948 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 8.15 4.59 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 2 E 8.82 3.96 0.00 2.11 2.19 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 1.74 2.07 0.00 3 Y 8.11 3.92 0.00 3.03 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 4 V 7.70 3.60 1.93 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 0.97 0.00 0.00 0.89 0.00 0.00 5 Y 7.85 4.25 0.00 3.08 2.92 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 6 A 8.48 4.00 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 7 A 8.07 3.97 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 8 L 8.17 3.97 0.00 1.98 1.82 0.92 0.38 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 9 L 8.28 3.95 0.00 1.88 1.97 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.03 3.99 0.00 2.01 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.60 4.16 0.00 3.30 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.24 4.28 0.00 4.07 4.10 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 13 V 7.13 4.35 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 0.77 0.00 0.00 0.99 0.00 0.00 14 G 7.60 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 15 K 8.01 4.53 0.00 1.84 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.50 7.81 16 E 8.52 4.05 0.00 1.93 1.86 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 2.30 2.34 0.00 17 I 8.17 4.11 1.89 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 1.50 0.69 0.94 0.00 0.00 18 N 7.91 5.15 0.00 2.90 2.91 0.00 0.00 6.14 7.66 0.00 0.00 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 E 8.56 3.96 0.00 2.05 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 2.42 2.39 0.00 20 E 8.24 3.93 0.00 2.04 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 2.39 2.43 0.00 21 N 8.08 4.39 0.00 2.90 2.86 0.00 0.00 7.08 6.74 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 22 L 8.03 3.99 0.00 1.99 1.78 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.43 3.93 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 24 A 7.97 3.98 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 25 V 7.71 3.50 2.07 0.00 0.00 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 0.99 0.00 0.00 26 L 7.95 3.91 0.00 1.92 1.62 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.38 3.96 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 28 A 7.79 4.29 1.35 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 29 A 7.37 4.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.94 2.12 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 0.71 0.00 0.00 0.86 0.00 0.00 32 E 8.55 4.19 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 33 P 0.00 4.43 0.00 2.07 2.02 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 34 E 8.58 4.57 0.00 2.02 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 2.57 2.38 0.00 35 E 8.61 3.91 0.00 2.09 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 0.00 2.39 2.45 0.00 36 A 7.98 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 3.72 0.00 1.53 1.09 0.00 3.07 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 38 I 7.95 3.75 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.19 0.97 0.00 0.00 39 K 8.55 3.95 0.00 1.87 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.67 7.81 40 A 8.11 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.83 0.00 1.82 1.88 0.98 0.87 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 42 V 7.84 3.56 2.21 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 1.01 0.00 0.00 0.98 0.00 0.00 43 A 8.09 3.96 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 44 A 8.19 4.06 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 45 L 7.85 4.35 0.00 1.93 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.26 4.09 0.00 2.11 1.86 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 2.32 2.31 0.00 47 G 8.88 3.93 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 0.00 0.00 0.00 48 V 7.44 3.67 2.24 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 0.73 0.00 0.00 0.99 0.00 0.00 49 N 8.58 4.59 0.00 2.79 2.71 0.00 0.00 7.21 7.98 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 50 I 8.05 3.69 1.61 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.48 0.63 0.00 0.00 51 D 8.04 4.37 0.00 2.78 2.75 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 52 E 8.41 3.93 0.00 2.16 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 2.42 2.46 0.00 53 V 7.54 3.58 2.21 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 0.81 0.00 0.00 0.98 0.00 0.00 54 I 8.03 3.87 2.07 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 1.58 0.56 0.93 0.00 0.00 55 E 8.00 4.07 0.00 2.15 2.23 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 2.51 2.35 0.00 56 K 8.21 4.10 0.00 2.00 1.88 0.00 2.02 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 57 A 7.95 3.75 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 58 A 7.60 4.17 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