NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.3056 8.3301 115.2953 58.0469 62.6343 172.3455 12 A 4.7014 7.5700 129.5390 50.9336 21.9073 172.8058 13 E 3.9701 10.2780 120.7346 57.4592 28.2891 173.9938 14 C 4.0050 7.4109 118.2837 62.2588 27.5889 174.7904 15 W 4.3691 7.6990 118.5961 57.8386 29.3121 176.2138 16 A 4.5454 7.8439 120.9361 52.7023 24.6345 174.9195 17 A 3.5288 8.1070 127.7923 51.7411 15.1812 176.1765 18 L 4.1207 8.2085 121.0542 55.6300 41.1241 175.9650 19 L 4.6647 7.9593 125.1087 53.6024 44.7684 176.9986 20 H 4.2814 8.8454 116.4053 56.5593 28.3891 173.1737 21 D 4.8460 7.3977 116.4703 52.4265 42.3144 174.2822 22 P 4.3754 0.0000 0.0000 65.4306 31.7319 175.5807 23 M 4.3064 7.3287 119.5248 56.1481 38.0177 174.4867 24 T 4.6373 7.6593 108.9357 61.8998 72.7870 173.3354 25 L 4.2010 7.0662 116.4193 53.1992 44.8946 172.9670 26 D 4.6925 8.1027 124.5151 52.1537 43.7483 175.6753 27 M 3.6537 8.4200 127.6444 58.6717 31.8901 178.2472 28 D 4.3526 7.9935 117.2300 57.1340 41.5093 178.0115 29 A 4.0278 8.3030 121.5105 55.1517 18.5099 179.8217 30 V 3.6810 8.1717 117.0466 65.8188 31.6833 178.0807 31 L 4.0412 8.3149 120.2429 58.3289 42.0748 178.9288 32 S 4.1399 8.2400 113.0550 61.4613 62.3673 175.6159 33 D 4.3457 8.2929 120.8226 57.0819 40.9208 177.7359 34 F 3.9482 8.1340 120.7876 61.5136 39.5168 177.2307 35 V 3.6239 7.8545 117.3806 66.1321 31.0256 177.9554 36 R 3.9005 7.7661 117.6263 58.7982 29.9988 177.6131 37 S 4.3830 7.8663 111.7855 59.1409 62.8417 174.5282 38 T 4.0513 7.6739 110.2821 60.6238 69.9908 175.6415 39 G 3.7614 7.8433 108.2709 45.1177 0.0000 173.2482 40 A 4.2736 6.9484 121.9230 51.1307 19.3028 178.1666 41 E 4.3565 8.4265 118.1191 55.3054 32.0935 176.1725 42 P 4.3924 0.0000 0.0000 65.9167 31.3465 179.0689 43 G 3.5372 8.0160 105.0556 47.6350 0.0000 175.2891 44 L 3.9454 7.9437 122.7251 57.5205 42.0591 178.5292 45 A 3.3681 8.1151 120.7303 55.0774 18.3983 179.3307 46 R 3.4030 7.8982 116.8041 59.5372 29.8677 178.2387 47 D 4.1541 7.5512 116.2008 57.2381 41.6286 177.7909 48 L 3.9575 7.6136 119.3863 57.7841 41.6271 179.4828 49 L 3.4273 7.1985 118.7628 57.6557 40.7910 179.5119 50 E 3.9332 7.4407 118.4039 59.0989 29.1644 179.2706 51 G 3.7255 7.4996 103.4008 46.0092 0.0000 174.7879 52 K 4.3940 7.3490 119.0496 55.1844 32.4856 175.9858 53 N 4.2538 8.0473 115.3756 54.2632 37.7589 174.2354 54 W 3.3875 8.4688 113.1305 57.3266 27.1952 174.9271 55 D 4.5345 7.7406 119.8537 53.8773 40.1810 176.4889 56 L 3.9898 8.6143 126.5394 58.9313 42.1275 178.9719 57 T 3.9348 7.9906 114.5376 66.4580 68.4119 176.4848 58 A 4.0151 8.0275 122.2125 55.0432 18.5136 179.4199 59 A 3.9907 8.0663 119.2740 55.1867 18.4655 179.7711 60 L 4.0161 8.3209 117.6358 58.3544 41.8838 180.1110 61 S 4.3770 8.3719 115.0049 61.3207 62.7966 176.3547 62 D 4.3071 8.2534 120.9575 57.4650 41.0004 177.5516 63 Y 4.0602 8.2541 120.2296 60.8349 38.8818 178.0360 64 E 4.0508 8.4611 118.3846 59.0809 29.3552 178.9073 65 Q 3.9189 7.9839 120.6212 59.0200 29.0564 177.9900 66 L 4.0687 7.5711 118.1378 57.8799 40.6201 178.4893 67 R 4.0860 7.2910 117.9822 58.2421 30.2844 178.3751 68 Q 4.0879 7.7892 117.7450 57.6251 29.9341 176.1032 69 V 3.1155 7.1813 123.7586 63.6229 29.4219 170.8806 70 H 4.4980 7.9832 117.5992 54.9668 27.3988 175.7158 71 T 3.3133 7.9727 126.3734 65.1189 66.1698 173.4498 72 A 4.2091 8.0045 125.0875 54.0425 19.7210 179.2761 73 N 4.4680 8.1110 113.2009 55.8849 39.5193 175.0455 74 L 4.4919 7.4492 116.4426 52.8347 43.1258 174.8525 75 P 4.3603 0.0000 0.0000 65.4982 31.2991 176.9207 76 H 4.4173 7.7325 115.8397 54.2967 28.9288 172.8697 77 V 3.7433 7.6656 126.0349 61.8272 30.5518 175.7825 78 F 4.6557 8.0847 125.9019 55.7034 40.1424 174.3484 79 N 4.7274 8.2891 124.0521 51.7438 40.2423 175.6485 80 E 4.2036 8.5813 120.2665 56.3782 27.2896 176.6242 81 G 4.2349 8.1828 111.4733 43.4038 0.0000 170.1729 82 R 4.6106 9.6900 117.9455 53.0826 32.4023 176.8581 83 G 3.5048 8.8094 109.8505 45.6841 0.0000 172.4108 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 11 S 8.33 4.31 0.00 3.83 4.03 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 12 A 7.57 4.70 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 13 E 10.28 3.97 0.00 2.17 2.10 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 2.29 2.39 0.00 14 C 7.41 4.01 0.00 1.41 2.32 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 15 W 7.70 4.37 0.00 3.38 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 16 A 7.84 4.55 1.31 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 0.00 0.00 17 A 8.11 3.53 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.12 0.00 1.64 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.96 4.66 0.00 1.75 1.58 0.98 1.02 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 20 H 8.85 4.28 0.00 3.25 3.47 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.40 4.85 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.07 2.08 0.00 3.76 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 2.01 2.05 0.00 23 M 7.33 4.31 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 24 T 7.66 4.64 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 1.19 0.00 0.00 25 L 7.07 4.20 0.00 1.59 1.45 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.10 4.69 0.00 2.74 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 3.65 0.00 0.92 1.61 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.02 0.00 28 D 7.99 4.35 0.00 2.75 2.81 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 0.00 0.00 0.00 29 A 8.30 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.10 0.00 0.00 31 L 8.31 4.04 0.00 2.26 2.00 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.24 4.14 0.00 4.07 3.89 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 0.00 0.00 0.00 33 D 8.29 4.35 0.00 2.96 2.77 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 34 F 8.13 3.95 0.00 3.30 3.18 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 0.00 0.00 0.00 0.00 35 V 7.85 3.62 2.26 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 1.12 0.00 0.00 1.14 0.00 0.00 36 R 7.77 3.90 0.00 1.99 2.13 0.00 3.31 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 37 S 7.87 4.38 0.00 3.92 3.71 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 38 T 7.67 4.05 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 0.33 0.00 0.00 39 G 7.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.95 4.27 0.99 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 0.00 0.00 41 E 8.43 4.36 0.00 2.23 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 0.00 2.40 2.51 0.00 42 P 0.00 4.39 0.00 2.32 2.39 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 43 G 8.02 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.95 0.00 1.81 1.90 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.12 3.37 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.40 0.00 1.92 2.18 0.00 3.29 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 47 D 7.55 4.15 0.00 2.74 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 48 L 7.61 3.96 0.00 1.37 1.45 1.13 0.53 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 49 L 7.20 3.43 0.00 0.36 0.13 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.44 3.93 0.00 2.02 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 2.67 2.44 0.00 51 G 7.50 3.73 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 0.00 0.00 0.00 52 K 7.35 4.39 0.00 1.62 1.76 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.32 7.81 53 N 8.05 4.25 0.00 2.90 3.07 0.00 0.00 7.52 7.89 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 54 W 8.47 3.39 0.00 3.41 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 55 D 7.74 4.53 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.61 3.99 0.00 1.84 1.75 1.17 0.96 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 57 T 7.99 3.93 4.29 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 1.25 0.00 0.00 58 A 8.03 4.02 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 59 A 8.07 3.99 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 60 L 8.32 4.02 0.00 1.94 1.75 0.97 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 61 S 8.37 4.38 0.00 3.91 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 62 D 8.25 4.31 0.00 2.95 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 63 Y 8.25 4.06 0.00 3.44 3.12 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 0.00 64 E 8.46 4.05 0.00 2.28 2.28 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 2.53 2.34 0.00 65 Q 7.98 3.92 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 66 L 7.57 4.07 0.00 1.77 1.73 0.59 0.84 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 67 R 7.29 4.09 0.00 1.83 1.92 0.00 3.01 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 1.18 1.38 0.00 68 Q 7.79 4.09 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.48 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 69 V 7.18 3.12 2.03 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 0.63 0.00 0.00 0.87 0.00 0.00 70 H 7.98 4.50 0.00 3.26 3.28 0.00 5.73 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 71 T 7.97 3.31 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 1.16 0.00 0.00 72 A 8.00 4.21 1.17 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 0.00 0.00 0.00 73 N 8.11 4.47 0.00 2.65 2.80 0.00 0.00 6.93 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.45 4.49 0.00 1.61 1.52 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.36 0.00 2.17 2.18 0.00 3.67 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 2.07 2.11 0.00 76 H 7.73 4.42 0.00 3.58 3.41 0.00 5.53 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.67 3.74 1.83 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 0.67 0.00 0.00 0.81 0.00 0.00 78 F 8.08 4.66 0.00 3.03 2.87 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 0.00 0.00 0.00 79 N 8.29 4.73 0.00 2.66 2.74 0.00 0.00 7.28 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 80 E 8.58 4.20 0.00 2.01 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 0.00 2.33 2.33 0.00 81 G 8.18 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 0.00 0.00 0.00 0.00 82 R 9.69 4.61 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 83 G 8.81 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00