NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.0870 0.0000 0.0000 62.1841 32.6736 175.4305 7 D 4.3066 7.9675 120.7100 52.5165 42.9443 173.2818 8 Y 4.6714 9.0515 124.5245 57.7452 39.3534 175.5139 9 T 3.9062 8.0371 117.5361 64.5603 68.8310 173.4834 10 S 4.3294 8.2051 120.9282 56.7063 66.7635 172.6778 11 F 4.9654 7.1796 113.9635 56.6766 39.6497 173.4995 12 N 5.1259 9.5095 117.8258 52.8065 40.8110 174.8558 13 T 4.8003 7.8065 107.4858 59.2071 73.2158 174.7507 14 V 3.3666 7.9445 119.1804 65.7257 31.5141 177.4098 15 D 4.3364 8.0738 118.4670 57.6102 40.7701 178.5519 16 E 4.1235 8.5128 118.7482 58.6567 29.4275 179.3417 17 W 3.4125 7.9936 128.5637 60.2922 30.6197 178.0386 18 L 3.1254 8.0951 119.2260 57.4026 40.7864 179.6000 19 E 4.0828 7.9482 118.0370 59.4526 29.3150 179.0123 20 A 3.7555 8.0714 119.9012 54.5705 18.3233 178.6431 21 I 4.0730 6.9861 108.9856 59.9095 37.9613 175.7622 22 K 3.8553 8.3878 118.2068 58.4434 29.9610 175.7476 23 M 4.6565 8.5241 117.8728 54.8041 32.7120 178.6344 24 G 3.5951 8.0261 108.2845 47.4524 0.0000 175.2255 25 Q 3.9814 7.8059 117.9175 58.0590 28.8075 176.7236 26 Y 4.6384 7.6591 118.1766 57.5703 38.5381 177.0068 27 K 3.8021 7.9193 121.7987 60.0171 32.2219 178.7605 28 E 4.0864 8.1625 117.8026 59.4442 29.3900 179.3651 29 S 4.2812 8.2395 114.8117 61.6341 62.8896 176.5816 30 F 4.2494 8.9410 120.3762 60.7175 38.7590 177.6600 31 A 4.0940 8.2403 120.1379 55.2945 17.9743 179.4804 32 N 4.3664 8.6459 114.2924 55.8564 38.6880 176.6374 33 A 4.3565 7.6955 119.9382 52.3057 19.2201 178.0466 34 G 3.7219 7.9962 105.7288 45.0157 0.0000 175.0279 35 F 4.3960 7.8132 120.3019 56.3068 37.1189 175.4259 36 T 4.5221 7.7678 109.2843 61.1340 70.0219 175.7508 37 S 4.5702 7.4156 116.6943 56.0434 67.6613 174.6562 38 F 4.0727 8.3964 120.8620 60.2478 38.4634 177.7748 39 D 4.4239 8.1275 118.2749 57.1920 41.0157 178.3254 40 V 3.9625 7.5793 118.8862 64.2270 31.8542 178.6035 41 V 3.7312 8.1622 119.4412 65.6420 31.1360 177.7000 42 S 4.3068 8.0924 111.6988 59.9458 63.0406 174.5446 43 Q 4.5070 7.7178 118.8586 55.7378 29.4124 175.8261 44 M 4.1949 7.7244 118.8478 55.7968 32.5620 175.5092 45 M 4.7054 8.8236 122.0181 53.1478 35.4211 176.4848 46 M 3.9870 8.5039 118.0170 58.9137 32.0478 177.5654 47 E 3.9056 8.1786 117.3562 59.7395 29.5117 178.9275 48 D 4.2204 7.9298 119.6118 57.0629 40.8790 178.7837 49 I 3.4526 7.4229 119.8571 64.0824 37.0845 178.4040 50 L 3.9263 8.0462 120.1267 57.7011 41.2765 179.1876 51 R 3.9875 7.7762 117.6486 59.4557 29.9027 177.7960 52 V 4.1879 7.4316 110.0072 61.2246 31.8906 177.1129 53 G 3.8411 8.2130 106.1943 45.8009 0.0000 174.8173 54 V 3.7686 7.6313 120.1603 62.1747 30.4070 175.3171 55 T 4.3805 8.2434 117.5585 62.2641 70.5230 176.0343 56 L 4.1041 7.7644 123.0041 54.2583 43.0990 177.6770 57 A 4.3948 8.1484 126.9405 54.6452 18.4099 180.0857 58 G 3.5581 7.9761 103.9118 48.3326 0.0000 175.5568 59 H 4.4548 8.1329 118.0044 58.3706 28.7260 177.6731 60 Q 3.9525 8.1740 120.2371 58.8047 28.4495 178.8035 61 K 4.0513 8.0516 120.6545 59.2789 32.2831 178.8632 62 K 3.9535 8.0891 120.0330 59.5322 32.0846 178.9718 63 I 3.7941 7.8286 120.1313 64.3323 37.0763 178.3520 64 L 4.0523 8.3395 120.2906 57.9452 41.4191 179.3932 65 N 4.4206 8.6496 116.8697 56.4448 38.4782 177.7178 66 S 4.3399 8.3757 116.6568 61.5590 62.8350 176.8124 67 I 3.8280 8.2331 122.8435 64.2823 36.8730 178.1527 68 Q 3.9559 8.1694 120.5402 59.3303 28.9251 178.6533 69 V 3.6720 7.9107 119.2483 65.9200 31.4661 177.6652 70 M 4.0195 8.2422 118.1834 58.6640 32.0727 178.4176 71 R 3.8823 8.3253 118.2236 59.2715 30.3403 178.9271 72 A 4.0595 8.1184 120.5493 55.0640 18.1025 179.5375 73 Q 3.8966 7.9679 117.3053 59.6175 29.2509 177.9660 74 M 4.1894 7.9933 118.6827 58.5637 32.0725 178.2782 75 N 4.4974 8.6271 116.1157 54.8402 38.9405 176.0271 76 Q 4.0497 7.3685 118.2958 55.9307 29.1149 176.5443 77 I 3.8561 8.3977 121.6786 61.7358 37.0729 175.7659 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 6 P 0.00 4.09 0.00 1.63 1.76 0.00 3.53 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 1.95 2.05 0.00 7 D 7.97 4.31 0.00 2.55 2.40 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 8 Y 9.05 4.67 0.00 3.07 2.91 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 9 T 8.04 3.91 4.35 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 1.42 0.00 0.00 10 S 8.21 4.33 0.00 3.74 3.55 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 11 F 7.18 4.97 0.00 3.28 3.13 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 0.00 12 N 9.51 5.13 0.00 2.83 2.97 0.00 0.00 6.73 6.89 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 13 T 7.81 4.80 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 1.28 0.00 0.00 14 V 7.94 3.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.47 0.00 0.00 15 D 8.07 4.34 0.00 2.83 2.72 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 16 E 8.51 4.12 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 17 W 7.99 3.41 0.00 2.71 3.33 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 18 L 8.10 3.13 0.00 1.57 1.41 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.95 4.08 0.00 2.19 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 2.27 2.34 0.00 20 A 8.07 3.76 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.99 4.07 1.61 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.28 0.60 0.00 0.00 22 K 8.39 3.86 0.00 1.80 1.87 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.32 7.81 23 M 8.52 4.66 0.00 1.88 1.69 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 24 G 8.03 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 25 Q 7.81 3.98 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 26 Y 7.66 4.64 0.00 3.06 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 27 K 7.92 3.80 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 28 E 8.16 4.09 0.00 2.04 2.04 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 2.43 2.42 0.00 29 S 8.24 4.28 0.00 4.18 4.17 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 30 F 8.94 4.25 0.00 3.26 3.30 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 31 A 8.24 4.09 1.40 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 32 N 8.65 4.37 0.00 2.79 2.94 0.00 0.00 7.00 6.93 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 33 A 7.70 4.36 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 F 7.81 4.40 0.00 3.21 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 36 T 7.77 4.52 4.22 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 1.22 0.00 0.00 37 S 7.42 4.57 0.00 3.99 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 38 F 8.40 4.07 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.42 0.00 2.67 2.76 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 40 V 7.58 3.96 2.09 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 0.91 0.00 0.00 1.01 0.00 0.00 41 V 8.16 3.73 2.02 0.00 0.00 0.00 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 1.15 0.00 0.00 42 S 8.09 4.31 0.00 4.04 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 43 Q 7.72 4.51 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 44 M 7.72 4.19 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 1.85 0.00 45 M 8.82 4.71 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 46 M 8.50 3.99 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 47 E 8.18 3.91 0.00 2.21 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 2.34 2.39 0.00 48 D 7.93 4.22 0.00 2.61 2.17 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 49 I 7.42 3.45 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.79 0.00 0.00 50 L 8.05 3.93 0.00 1.84 1.68 0.90 0.81 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 51 R 7.78 3.99 0.00 1.80 2.09 0.00 3.29 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 52 V 7.43 4.19 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 0.53 0.00 0.00 0.65 0.00 0.00 53 G 8.21 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.63 3.77 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 0.54 0.00 0.00 0.09 0.00 0.00 55 T 8.24 4.38 4.25 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 1.22 0.00 0.00 56 L 7.76 4.10 0.00 1.59 1.55 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.15 4.39 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 58 G 7.98 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.13 4.45 0.00 3.19 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.17 3.95 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 61 K 8.05 4.05 0.00 2.04 1.80 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 K 8.09 3.95 0.00 1.92 1.76 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.43 7.81 63 I 7.83 3.79 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 1.14 0.00 0.00 64 L 8.34 4.05 0.00 1.74 1.73 0.91 0.54 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 65 N 8.65 4.42 0.00 2.97 2.90 0.00 0.00 7.02 7.06 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 66 S 8.38 4.34 0.00 4.32 4.30 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 67 I 8.23 3.83 2.11 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 1.48 1.08 0.93 0.00 0.00 68 Q 8.17 3.96 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 69 V 7.91 3.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 70 M 8.24 4.02 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 71 R 8.33 3.88 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 72 A 8.12 4.06 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 73 Q 7.97 3.90 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 74 M 7.99 4.19 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 75 N 8.63 4.50 0.00 2.84 2.88 0.00 0.00 7.09 7.57 0.00 0.00 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 Q 7.37 4.05 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 77 I 8.40 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.91 0.00 0.00