NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6033 8.1133 121.1218 56.2364 32.0878 173.8081 2 I 4.8795 9.0418 126.5906 59.3199 40.3559 172.6493 3 C 5.2475 9.7748 124.8215 54.7434 44.9953 173.2528 4 F 5.0212 8.7057 119.6666 57.3899 39.2939 175.5943 5 N 5.4694 9.4309 116.7395 51.7529 38.5101 174.1383 6 H 4.7027 8.1845 113.7881 54.8910 30.3877 174.0829 7 Q 4.4940 8.2940 121.2087 56.6314 31.6495 176.5550 8 S 3.5856 8.4960 119.5368 59.8851 63.5573 173.3976 9 S 4.7037 8.9036 121.5902 58.9448 63.3029 173.9792 10 Q 4.3216 8.2071 119.6820 54.2412 29.4478 173.6855 11 P 4.2458 0.0000 0.0000 62.4771 31.6613 176.3373 12 Q 3.6315 8.4463 120.6251 56.6453 29.2514 176.0786 13 T 4.9458 8.4412 111.7000 60.1953 72.5003 172.7599 14 T 5.1768 8.5679 112.8737 59.9484 72.2844 172.8780 15 K 4.6056 8.9099 122.4977 55.1601 36.0301 174.8420 16 T 4.5909 8.4635 123.8325 62.6910 69.2194 175.5726 17 C 4.7356 8.7267 124.7953 56.3822 35.6040 174.0921 18 S 4.4324 8.5432 115.3120 57.0998 63.5773 171.8571 19 P 4.2962 0.0000 0.0000 64.6072 31.3446 177.2962 20 G 3.9428 8.8764 109.9286 45.4034 0.0000 173.1478 21 E 4.1112 7.9757 122.0384 56.0447 30.1852 176.9307 22 S 4.6918 8.7670 119.7243 57.9855 64.9079 173.4026 23 S 5.4096 8.2259 116.1314 56.9183 66.1578 172.2950 24 C 5.7037 9.0988 117.1592 55.3686 39.8866 172.8593 25 Y 5.4328 8.6021 118.5436 55.4400 42.0937 173.9997 26 N 5.0135 9.4083 118.1788 52.3363 42.0003 173.0778 27 K 5.4018 9.7268 126.5493 55.1302 35.4290 175.5977 28 Q 5.5977 9.3824 123.6718 54.2705 32.7622 173.4875 29 W 5.4101 8.2589 121.3667 55.8574 31.6534 173.0295 30 S 5.2440 8.8832 116.3130 57.0236 65.7672 173.4093 31 D 5.0558 8.5369 121.8023 51.7533 42.2305 175.8466 32 F 4.4677 9.1406 112.7562 59.8744 38.0969 176.7222 33 R 3.7861 7.3247 120.4823 56.6991 30.4937 176.9684 34 G 3.7235 6.4624 102.0624 46.1932 0.0000 169.8788 35 T 4.5628 7.9436 117.5858 62.6440 69.5577 174.5280 36 I 4.1022 8.5164 128.0572 59.2685 40.0700 174.9021 37 I 4.7905 7.9283 126.3395 59.6222 40.2225 173.8346 38 E 4.9442 9.2786 129.2812 54.5510 31.9507 174.9546 39 R 5.0309 7.6868 123.7783 53.3428 35.0032 175.5486 40 G 4.0074 6.7858 106.6392 46.4638 0.0000 172.9559 41 C 4.8240 8.9166 116.9963 56.9706 41.5950 174.3793 42 G 3.8805 9.0391 110.2642 45.0088 0.0000 173.0911 43 C 4.7799 8.0993 116.8120 53.5255 43.7093 171.6891 44 P 4.4162 0.0000 0.0000 61.5235 31.8921 176.8766 45 T 3.9139 7.9749 109.4928 61.0613 69.2543 174.4998 46 V 3.5884 8.3110 125.2990 62.8318 32.0072 174.8731 47 K 4.5349 8.3255 127.9209 53.1801 34.7510 173.1410 48 P 4.0837 0.0000 0.0000 64.7809 31.1394 176.2579 49 G 3.9413 9.0622 110.0702 45.4652 0.0000 172.4054 50 I 4.7167 7.3187 112.5312 58.5958 40.0422 175.3208 51 K 4.3950 8.9611 126.1158 55.9488 33.4360 175.7250 52 L 5.3035 8.4870 125.6702 53.3958 45.1331 175.1773 53 S 4.8346 9.1933 120.4660 56.6914 65.4053 171.8398 54 C 5.7613 8.9779 123.6676 55.4203 44.4744 172.0877 55 C 5.0825 9.0773 115.7702 53.4824 45.2161 173.2732 56 E 5.3151 8.4691 116.7287 53.0643 29.3896 175.2525 57 S 4.6267 7.4732 111.8236 56.6523 66.2011 175.0098 58 E 3.7277 8.9212 121.0469 59.0020 29.9942 178.3068 59 V 3.0254 7.9937 116.6334 62.4826 29.3306 172.2518 60 C 4.6190 7.9387 114.6794 56.4918 42.8114 173.8147 61 N 4.8795 7.9658 117.6520 52.7161 37.7589 174.3911 62 N 4.2402 8.3769 122.7740 54.9855 39.0103 174.1293 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 8.11 4.60 0.00 1.99 1.93 0.00 3.12 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 2 I 9.04 4.88 1.87 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 1.18 0.75 0.78 0.00 0.00 3 C 9.77 5.25 0.00 2.77 3.01 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 4 F 8.71 5.02 0.00 3.10 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 5 N 9.43 5.47 0.00 2.75 2.82 0.00 0.00 6.92 8.64 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 6 H 8.18 4.70 0.00 3.28 3.35 0.00 5.51 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 7 Q 8.29 4.49 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 5.85 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 8 S 8.50 3.59 0.00 3.83 3.21 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 0.00 9 S 8.90 4.70 0.00 3.78 3.80 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 0.00 0.00 0.00 10 Q 8.21 4.32 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 11 P 0.00 4.25 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 12 Q 8.45 3.63 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 13 T 8.44 4.95 4.28 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 1.23 0.00 0.00 14 T 8.57 5.18 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 1.03 0.00 0.00 15 K 8.91 4.61 0.00 1.77 1.60 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 T 8.46 4.59 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 1.20 0.00 0.00 17 C 8.73 4.74 0.00 2.88 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 18 S 8.54 4.43 0.00 4.01 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 19 P 0.00 4.30 0.00 2.06 2.06 0.00 3.72 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 2.04 2.11 0.00 20 G 8.88 3.94 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 0.00 0.00 0.00 21 E 7.98 4.11 0.00 2.18 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 0.00 2.34 2.44 0.00 22 S 8.77 4.69 0.00 4.02 4.07 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 0.00 0.00 0.00 0.00 23 S 8.23 5.41 0.00 3.98 4.04 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 24 C 9.10 5.70 0.00 2.88 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 25 Y 8.60 5.43 0.00 3.08 3.23 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 0.00 26 N 9.41 5.01 0.00 2.74 2.72 0.00 0.00 7.45 6.03 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 27 K 9.73 5.40 0.00 2.11 2.14 0.00 1.92 0.00 0.00 1.52 0.00 0.00 2.60 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.57 7.81 28 Q 9.38 5.60 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 29 W 8.26 5.41 0.00 3.43 3.25 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 30 S 8.88 5.24 0.00 3.78 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 31 D 8.54 5.06 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 4.47 0.00 3.24 3.24 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 33 R 7.32 3.79 0.00 1.65 1.75 0.00 3.13 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.00 34 G 6.46 3.72 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 0.00 0.00 0.00 35 T 7.94 4.56 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 1.10 0.00 0.00 36 I 8.52 4.10 0.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.26 0.26 0.00 0.00 37 I 7.93 4.79 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.83 0.00 0.00 38 E 9.28 4.94 0.00 2.37 2.15 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 2.37 2.46 0.00 39 R 7.69 5.03 0.00 1.71 1.58 0.00 3.33 0.00 0.00 3.33 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 40 G 6.79 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 41 C 8.92 4.82 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 42 G 9.04 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 43 C 8.10 4.78 0.00 2.92 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 44 P 0.00 4.42 0.00 1.93 1.73 0.00 3.43 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.00 45 T 7.97 3.91 4.19 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 1.17 0.00 0.00 46 V 8.31 3.59 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 0.77 0.00 0.00 0.91 0.00 0.00 47 K 8.33 4.53 0.00 1.68 1.48 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.28 7.81 48 P 0.00 4.08 0.00 2.19 2.06 0.00 3.83 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 1.96 1.96 0.00 49 G 9.06 3.94 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 0.00 0.00 0.00 50 I 7.32 4.72 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.74 0.00 0.00 51 K 8.96 4.40 0.00 1.84 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 52 L 8.49 5.30 0.00 1.62 1.51 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.19 4.83 0.00 3.95 3.70 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 54 C 8.98 5.76 0.00 2.89 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 55 C 9.08 5.08 0.00 2.98 3.15 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 0.00 56 E 8.47 5.32 0.00 1.94 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 2.32 2.23 0.00 57 S 7.47 4.63 0.00 3.93 3.79 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 58 E 8.92 3.73 0.00 1.94 1.88 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 2.29 2.26 0.00 59 V 7.99 3.03 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 0.12 0.00 0.00 0.84 0.00 0.00 60 C 7.94 4.62 0.00 3.11 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 61 N 7.97 4.88 0.00 2.93 2.97 0.00 0.00 6.01 8.04 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 62 N 8.38 4.24 0.00 2.74 2.67 0.00 0.00 7.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00