NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9513 8.1976 109.7338 45.1004 0.0000 176.8418 3 P 4.0126 0.0000 0.0000 62.7571 31.6796 174.9482 4 G 3.9635 6.0374 105.5811 44.7294 0.0000 172.7450 5 I 4.2660 7.2435 112.8387 60.0600 39.8435 175.0863 6 Q 4.8358 8.4400 122.7193 55.4263 30.3764 175.2243 7 V 4.9202 8.9793 118.4977 60.1378 36.4267 175.0563 8 K 5.0660 8.8801 126.0201 53.2073 34.5477 176.5585 9 A 4.3955 8.8131 127.6763 51.4461 18.6938 178.3333 10 L 3.8995 9.0572 123.4009 56.5551 42.3174 176.6066 11 Y 5.0117 7.5703 113.9907 56.0561 42.2712 174.7035 12 D 4.8796 8.9339 121.0853 54.9369 41.9376 175.4545 13 Y 4.5926 8.6644 123.0817 55.9631 42.3795 173.2475 14 D 4.8261 7.6295 125.8660 51.9257 42.6506 176.0702 15 A 4.1716 8.3734 126.0226 53.1205 18.1968 177.1746 16 Q 4.3291 9.6582 121.3331 56.2637 30.6235 175.1561 17 T 4.6679 7.5778 106.3771 59.1480 72.0183 172.7005 18 G 3.5984 8.5056 110.1168 47.3854 0.0000 173.1107 19 D 4.5650 8.9264 121.8761 55.0630 38.3542 173.0648 20 E 5.1974 7.6679 116.9537 55.8232 30.5922 176.4041 21 L 4.5752 9.0110 123.2972 54.9200 42.8557 176.4851 22 T 4.8105 8.5363 119.1258 62.5515 70.1638 173.8682 23 F 5.0960 8.6422 119.5814 56.1015 42.0580 172.8433 24 K 5.2083 9.5997 118.3400 53.9888 35.6972 175.8182 25 E 4.1750 9.5590 123.5258 58.5065 29.7817 177.5618 26 G 4.0462 9.0634 115.1277 45.0866 0.0000 173.5550 27 D 4.5468 8.2885 120.4298 54.9108 42.1057 175.5220 28 T 4.8668 8.4204 119.0326 62.3753 69.9163 174.0850 29 I 4.6269 8.7122 127.7018 59.4397 40.5326 174.7600 30 I 4.3907 8.3476 127.4988 60.5671 38.6669 175.0469 31 V 4.3584 8.8185 128.4786 61.9967 31.8042 176.1046 32 H 4.5264 8.9977 127.0518 58.6252 29.3966 176.5068 33 Q 4.3504 7.8066 115.4716 53.9819 33.1547 175.3287 34 K 3.3411 7.9268 124.0625 54.5299 29.7582 176.0173 35 D 4.8083 8.1584 121.5060 53.3820 42.0777 175.5766 36 P 4.3890 0.0000 0.0000 64.0359 31.9524 176.0713 37 A 3.9676 8.8980 121.9748 52.0666 16.4929 179.2904 38 G 3.7651 8.8071 105.8775 44.9920 0.0000 173.0942 39 W 5.0415 7.7744 118.7265 54.6151 31.8271 174.9054 40 W 5.6030 9.5955 124.8002 55.1616 32.0155 175.4029 41 E 4.3259 9.3467 122.8248 56.1260 29.8415 176.1584 42 G 4.7020 9.3061 112.1268 44.2732 0.0000 170.3482 43 E 5.2760 9.0090 119.6039 54.5969 33.5594 173.8176 44 L 4.7423 9.2849 127.7856 54.5062 46.2295 175.0385 45 N 4.3047 9.8555 123.2152 54.6203 36.0933 175.1193 46 G 3.9312 8.5390 102.4258 45.4966 0.0000 173.4954 47 K 4.5777 8.0106 120.5331 54.2019 34.7130 174.8120 48 R 4.9293 8.2175 124.5589 54.8441 32.1515 175.7667 49 G 3.9000 8.3018 108.7947 45.7703 0.0000 172.0780 50 W 5.4777 8.8772 120.1134 56.6902 30.6586 176.5073 51 V 5.1254 9.4135 116.8056 58.7705 35.2248 173.4682 52 P 3.1410 0.0000 0.0000 61.7405 31.4651 177.3361 53 A 2.7577 7.9837 127.2373 54.2288 18.1431 178.2949 54 N 4.5925 7.5346 110.6501 54.0089 37.9022 175.0708 55 Y 4.7358 8.0493 116.8602 58.4413 38.7285 175.1656 56 V 4.9796 7.2285 111.2462 59.3930 35.8482 174.7461 57 Q 4.6392 8.8172 123.7447 54.0357 31.9794 174.4127 58 D 4.8761 9.0131 126.6231 54.4376 41.6475 176.5101 59 I 4.0956 8.1682 115.9372 61.0113 37.6426 175.1813 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 2 G 8.20 3.95 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 0.00 0.00 0.00 3 P 0.00 4.01 0.00 2.32 2.21 0.00 3.86 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 1.97 2.02 0.00 4 G 6.04 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 5 I 7.24 4.27 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.84 0.00 0.00 6 Q 8.44 4.84 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 7 V 8.98 4.92 2.22 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 0.83 0.00 0.00 1.00 0.00 0.00 8 K 8.88 5.07 0.00 1.38 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.23 7.81 9 A 8.81 4.40 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 10 L 9.06 3.90 0.00 0.31 0.58 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.57 5.01 0.00 2.70 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 12 D 8.93 4.88 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 4.59 0.00 2.64 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 14 D 7.63 4.83 0.00 2.28 2.36 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 15 A 8.37 4.17 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 16 Q 9.66 4.33 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 17 T 7.58 4.67 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 1.11 0.00 0.00 18 G 8.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.57 0.00 3.08 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 20 E 7.67 5.20 0.00 2.07 2.25 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 2.32 2.29 0.00 21 L 9.01 4.58 0.00 1.94 1.91 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.54 4.81 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 1.26 0.00 0.00 23 F 8.64 5.10 0.00 3.29 3.22 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 24 K 9.60 5.21 0.00 1.79 1.80 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 E 9.56 4.18 0.00 1.95 1.95 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 2.33 2.32 0.00 26 G 9.06 4.05 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 0.00 0.00 0.00 27 D 8.29 4.55 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.87 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 1.24 0.00 0.00 29 I 8.71 4.63 1.76 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.91 0.00 0.00 30 I 8.35 4.39 1.74 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 1.07 0.58 0.74 0.00 0.00 31 V 8.82 4.36 2.01 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 0.79 0.00 0.00 1.10 0.00 0.00 32 H 9.00 4.53 0.00 3.16 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.81 4.35 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 34 K 7.93 3.34 0.00 1.15 0.95 0.00 1.27 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.65 7.81 35 D 8.16 4.81 0.00 3.19 2.89 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 36 P 0.00 4.39 0.00 2.24 2.13 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 37 A 8.90 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 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 39 W 7.77 5.04 0.00 2.69 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 40 W 9.60 5.60 0.00 3.33 3.17 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 41 E 9.35 4.33 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.54 0.00 42 G 9.31 4.70 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 0.00 0.00 0.00 43 E 9.01 5.28 0.00 2.10 1.73 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 2.23 2.44 0.00 44 L 9.28 4.74 0.00 1.79 1.52 1.07 1.16 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 45 N 9.86 4.30 0.00 2.94 2.90 0.00 0.00 7.11 7.65 0.00 0.00 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 G 8.54 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 47 K 8.01 4.58 0.00 1.80 1.78 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 48 R 8.22 4.93 0.00 1.68 1.75 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 49 G 8.30 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.88 5.48 0.00 3.43 3.43 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 51 V 9.41 5.13 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 0.87 0.00 0.00 1.18 0.00 0.00 52 P 0.00 3.14 0.00 1.36 0.49 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 53 A 7.98 2.76 -0.50 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 54 N 7.53 4.59 0.00 2.79 2.80 0.00 0.00 5.98 7.55 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 55 Y 8.05 4.74 0.00 3.27 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 4.98 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 0.48 0.00 0.00 1.01 0.00 0.00 57 Q 8.82 4.64 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 58 D 9.01 4.88 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.10 1.86 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 1.22 0.66 0.89 0.00 0.00