NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.1946 8.2544 117.2694 56.6300 30.2447 175.4939 11 T 3.7666 8.4745 111.8583 61.1922 66.9067 174.1259 12 G 3.7414 7.6564 110.7676 47.5308 0.0000 175.3880 13 R 4.1185 7.6493 114.8596 57.7137 30.1211 176.9371 14 F 5.1501 8.2733 117.3537 56.9551 39.7359 176.9453 15 G 3.9054 7.5918 109.8919 46.3967 0.0000 172.6145 16 P 4.5717 0.0000 0.0000 63.1294 31.2698 176.0692 17 R 4.2828 7.2791 116.6216 56.1119 32.3039 174.2543 18 Y 4.2946 8.0044 117.9016 57.7060 35.7135 169.7883 19 G 3.9107 7.9805 103.2257 44.1576 0.0000 173.0277 20 L 4.1349 8.2536 119.2383 55.7648 41.0920 179.7866 21 K 3.9967 8.3896 120.5359 60.1722 32.5448 178.0269 22 I 3.6778 7.9238 119.5415 64.5601 37.1250 178.0626 23 R 4.5213 7.7130 115.3503 57.1722 29.7169 178.6817 24 V 3.6610 8.1580 120.1116 65.9964 31.4973 177.9401 25 R 4.0373 7.9595 117.1301 58.5798 29.8718 178.9818 26 V 3.5793 7.3247 118.5855 65.4329 30.9990 177.5329 27 A 4.1892 7.9353 119.6576 54.0905 18.2040 178.9131 28 D 4.4329 7.7507 117.5716 56.6979 41.2651 178.7856 29 V 3.5760 8.0009 118.5590 64.6368 31.4115 176.8616 30 E 4.6343 7.7222 115.4798 56.6023 29.5810 177.1052 31 I 4.0585 7.3939 118.8594 63.3929 38.2175 177.5783 32 K 4.1645 7.7017 119.0244 59.2950 31.7007 178.7806 33 H 4.8127 7.8995 116.6680 58.2133 29.8117 176.3979 34 K 4.5355 7.3276 117.1336 55.1345 32.5366 176.4471 35 K 4.2842 6.9547 119.3599 55.4301 32.9317 176.7491 36 K 4.1372 8.3715 120.6501 56.9055 32.6075 176.1828 37 H 4.9527 8.3005 122.6413 53.9938 31.1443 174.4610 38 K 4.6733 8.6338 122.9016 55.7991 32.2449 176.5508 39 C 4.3984 8.6980 126.5481 58.8944 31.8970 172.1166 40 P 4.3731 0.0000 0.0000 65.7685 30.5346 177.8330 41 V 3.2680 6.9540 116.5705 64.9456 31.8443 175.4507 42 C 4.4799 7.6780 121.7197 58.5949 32.8867 174.0452 43 G 3.9551 8.5426 111.0014 45.9127 0.0000 173.9856 44 F 3.9503 8.0951 120.2438 56.5590 39.9366 176.1017 45 K 4.6448 7.9645 125.0064 55.8613 30.0816 177.0030 46 K 4.7692 7.7288 114.1086 56.1096 34.0204 177.4415 47 L 4.8387 8.3343 120.9935 54.2901 43.0292 176.5839 48 K 5.1536 9.1613 122.5935 54.2541 36.6288 175.6840 49 R 3.4687 8.4145 121.7204 55.8878 30.4614 176.0513 50 A 4.4432 8.0502 126.4952 51.3139 20.8592 176.3598 51 G 3.6569 6.6523 101.7667 45.8885 0.0000 171.9425 52 T 3.8052 8.1974 116.9499 65.6883 67.5061 174.7369 53 G 4.3971 8.7487 116.3442 45.7252 0.0000 171.1154 54 I 4.6832 6.9673 121.0586 59.9530 38.9503 175.0609 55 W 5.4581 8.8716 124.8335 55.4033 33.7999 173.8253 56 M 5.7588 9.1243 120.9155 53.9025 35.6514 173.4932 57 C 5.1815 8.2470 124.6902 56.8027 32.3604 174.0899 58 G 4.0754 9.0968 116.6790 48.7372 0.0000 171.8308 59 H 4.0378 7.6633 118.8574 58.4755 30.2057 175.0142 60 C 4.1121 8.0527 123.9785 59.7884 32.3837 174.8559 61 G 3.8206 9.4269 107.5644 45.9224 0.0000 172.5289 62 Y 4.3914 8.0093 121.5720 57.1616 39.7303 174.5681 63 K 4.5437 8.5947 129.9826 55.3566 32.9960 175.7575 64 I 4.1487 8.5924 122.0713 59.2886 40.6898 174.1125 65 A 5.1190 8.3088 123.7087 49.0666 20.8844 174.2937 66 G 4.3598 8.3895 113.5752 46.2247 0.0000 176.0625 67 G 4.0851 9.1386 116.5403 43.8241 0.0000 173.8095 68 C 3.8632 8.7480 119.9171 62.2577 31.3307 174.2849 69 Y 5.0928 7.8804 112.2055 57.7343 38.7994 175.5009 70 Q 4.2613 7.7853 119.3556 52.9944 32.8401 174.2903 71 P 2.9700 0.0000 0.0000 64.2116 31.4749 176.0683 72 E 4.7274 7.5221 117.3349 54.2342 32.2289 175.1799 73 T 4.5597 7.9871 112.6423 59.4174 71.7561 175.2469 74 V 3.5140 8.5566 121.0713 66.6103 31.0167 178.1094 75 A 4.1509 8.0463 119.6421 54.8562 18.1031 179.0020 76 G 3.7221 7.6882 101.7562 46.2897 0.0000 174.9678 77 K 4.2967 7.8148 120.2555 58.1107 32.4119 178.2132 78 A 4.1827 7.6845 119.9738 54.0260 16.6794 179.5199 79 V 3.6614 7.6336 116.9207 65.8667 31.5731 177.6302 80 M 4.1832 7.7593 116.8906 57.4340 31.7711 178.0815 81 K 4.2063 7.2643 117.6354 58.3611 32.8458 176.4700 82 A 4.1632 7.6102 124.9199 52.5904 18.2770 177.1351 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 10 R 8.25 4.19 0.00 1.90 1.12 0.00 2.98 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 11 T 8.47 3.77 4.34 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 1.30 0.00 0.00 12 G 7.66 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 0.00 0.00 0.00 13 R 7.65 4.12 0.00 1.91 2.00 0.00 2.90 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.00 14 F 8.27 5.15 0.00 3.54 3.34 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 15 G 7.59 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 0.00 0.00 0.00 16 P 0.00 4.57 0.00 2.14 2.11 0.00 3.69 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 1.91 1.94 0.00 17 R 7.28 4.28 0.00 0.67 0.91 0.00 2.91 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.29 0.00 18 Y 8.00 4.29 0.00 3.01 3.10 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 19 G 7.98 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 0.00 0.00 0.00 20 L 8.25 4.13 0.00 1.72 1.55 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.39 4.00 0.00 1.80 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 22 I 7.92 3.68 2.04 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 1.66 0.85 0.85 0.00 0.00 23 R 7.71 4.52 0.00 2.40 2.53 0.00 3.21 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.60 0.00 24 V 8.16 3.66 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 1.03 0.00 0.00 0.96 0.00 0.00 25 R 7.96 4.04 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 V 7.32 3.58 2.35 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 1.04 0.00 0.00 1.18 0.00 0.00 27 A 7.94 4.19 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 28 D 7.75 4.43 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 29 V 8.00 3.58 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 0.49 0.00 0.00 0.83 0.00 0.00 30 E 7.72 4.63 0.00 2.07 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 2.28 2.32 0.00 31 I 7.39 4.06 2.03 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 1.54 1.39 1.00 0.00 0.00 32 K 7.70 4.16 0.00 1.74 1.93 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 33 H 7.90 4.81 0.00 3.64 3.55 0.00 5.92 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.33 4.54 0.00 1.81 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.63 7.81 35 K 6.95 4.28 0.00 1.87 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 36 K 8.37 4.14 0.00 1.61 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 37 H 8.30 4.95 0.00 3.13 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.63 4.67 0.00 1.65 1.78 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 39 C 8.70 4.40 0.00 3.16 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 40 P 0.00 4.37 0.00 2.47 2.22 0.00 4.07 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 2.21 2.15 0.00 41 V 6.95 3.27 1.77 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 0.59 0.00 0.00 -0.42 0.00 0.00 42 C 7.68 4.48 0.00 3.03 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 43 G 8.54 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 0.00 0.00 0.00 44 F 8.10 3.95 0.00 2.90 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 45 K 7.96 4.64 0.00 1.57 1.76 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.31 7.81 46 K 7.73 4.77 0.00 1.83 1.86 0.00 1.97 0.00 0.00 2.07 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.61 7.81 47 L 8.33 4.84 0.00 1.84 1.84 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.16 5.15 0.00 1.69 1.65 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 R 8.41 3.47 0.00 0.77 1.33 0.00 3.04 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 50 A 8.05 4.44 1.15 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 0.00 0.00 51 G 6.65 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.20 3.81 4.16 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 1.10 0.00 0.00 53 G 8.75 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 0.00 0.00 0.00 0.00 54 I 6.97 4.68 1.78 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 1.19 0.81 0.85 0.00 0.00 55 W 8.87 5.46 0.00 3.22 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 56 M 9.12 5.76 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 57 C 8.25 5.18 0.00 3.20 2.97 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 58 G 9.10 4.08 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 0.00 0.00 0.00 59 H 7.66 4.04 0.00 3.13 3.27 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.05 4.11 0.00 2.95 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 61 G 9.43 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.39 0.00 3.03 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 63 K 8.59 4.54 0.00 1.77 1.65 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.47 7.81 64 I 8.59 4.15 1.78 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 0.77 0.64 0.71 0.00 0.00 65 A 8.31 5.12 1.21 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 0.00 0.00 66 G 8.39 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 0.00 0.00 0.00 0.00 67 G 9.14 4.09 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 68 C 8.75 3.86 0.00 2.69 1.64 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 69 Y 7.88 5.09 0.00 3.06 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 70 Q 7.79 4.26 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 71 P 0.00 2.97 0.00 1.75 1.37 0.00 2.97 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 72 E 7.52 4.73 0.00 1.80 1.77 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 2.09 2.10 0.00 73 T 7.99 4.56 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 1.19 0.00 0.00 74 V 8.56 3.51 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 1.03 0.00 0.00 0.93 0.00 0.00 75 A 8.05 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.69 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 77 K 7.81 4.30 0.00 1.91 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.65 7.81 78 A 7.68 4.18 1.33 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 79 V 7.63 3.66 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 1.06 0.00 0.00 0.96 0.00 0.00 80 M 7.76 4.18 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 81 K 7.26 4.21 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 82 A 7.61 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00