NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9137 8.0393 120.3870 62.4288 31.8503 174.2728 2 P 4.1959 0.0000 0.0000 60.1233 31.2892 175.2901 3 C 3.5516 7.7960 120.7855 54.1274 42.5453 174.9176 4 D 4.0873 7.3024 121.5056 54.7829 41.2240 172.4897 5 N 4.9269 8.4643 114.4609 53.2039 39.7471 175.8779 6 V 3.6897 7.9082 118.9627 65.0600 31.8704 176.2558 7 S 4.3945 7.7407 115.3281 56.7842 63.9353 173.0790 8 S 4.6052 8.4301 124.8924 57.3663 64.7614 174.4225 9 C 4.8243 8.3834 118.3054 54.9328 41.0757 172.4018 10 P 4.5351 0.0000 0.0000 62.1033 32.4291 177.5280 11 S 3.6470 8.3039 114.4829 58.4763 61.6832 173.1945 12 S 4.4223 8.3250 112.2608 58.5500 59.8566 172.9067 13 D 4.8728 7.7898 123.7432 52.4909 45.5180 174.1627 14 T 4.7364 8.0640 113.0150 60.6385 70.9367 173.1467 15 C 5.2174 8.9685 125.6300 56.6160 42.2961 172.6530 16 C 4.9859 9.1135 119.2056 56.4912 32.1695 173.1980 17 Q 3.6705 8.1543 121.5911 55.0719 30.2975 174.4492 18 L 4.8541 7.0827 120.8177 53.4778 44.7515 176.9026 19 T 4.5545 8.2889 114.0377 62.7531 66.4997 175.1987 20 S 4.5379 7.5977 111.9010 57.5560 64.8140 175.3444 21 G 3.9257 8.4744 106.6478 45.8008 0.0000 173.1790 22 E 4.9556 7.5193 120.0487 53.8881 32.9079 174.6095 23 W 4.9186 9.0998 124.4633 55.1617 31.8359 175.2198 24 G 4.3407 8.9410 109.9086 44.9295 0.0000 169.9055 25 C 5.2079 8.7314 118.9953 55.0740 43.9336 172.7887 26 C 4.6703 8.7838 126.2618 57.6286 32.4387 172.0137 27 P 4.7146 0.0000 0.0000 63.2779 31.7405 176.4251 28 I 4.6314 7.1279 116.8454 59.8077 37.7523 174.3908 29 P 4.7169 0.0000 0.0000 61.5811 31.5565 174.6608 30 E 4.3708 7.2059 114.3649 57.0115 32.5076 171.8962 31 A 3.7629 8.5024 125.6954 52.1461 18.4417 178.2628 32 V 4.2379 7.9377 113.9590 61.1990 33.6799 176.9860 33 C 4.6182 8.2909 111.9708 59.8601 30.6181 173.7163 34 C 4.9113 8.0941 118.2052 55.9653 35.8324 172.8424 35 S 5.1930 8.6523 114.9911 58.4022 69.0113 173.7135 36 D 4.5739 8.7323 118.8297 56.0076 38.9261 172.0014 37 H 3.7685 8.7333 109.8451 57.0448 28.6975 173.0385 38 Q 3.4818 7.7867 119.0870 56.4183 26.8279 171.7371 39 H 5.0051 8.4030 115.4398 55.8259 32.8910 172.9230 40 C 4.6736 7.6528 113.0688 59.1585 31.4762 172.1359 41 C 5.1032 7.7977 115.6756 52.8460 40.5801 172.8829 42 P 4.6191 0.0000 0.0000 62.7648 31.6481 177.3662 43 Q 4.3727 8.6564 122.4760 56.7647 28.4933 176.7429 44 G 3.3805 7.3095 108.3667 46.3831 0.0000 173.3214 45 Y 5.0357 7.2434 115.3067 56.7316 42.0439 174.4561 46 T 4.7049 8.7379 116.7694 62.2723 71.3364 172.5401 47 C 4.5873 8.7685 119.7005 54.8356 41.9970 172.6174 48 V 4.5616 7.7208 124.7229 60.9116 32.9273 175.5047 49 A 4.1974 8.5957 129.4343 52.7959 19.4860 176.8123 50 E 3.8653 8.9070 118.7242 54.7275 27.7754 174.8214 51 G 4.3540 7.1105 115.1165 45.2603 0.0000 172.8235 52 Q 4.5059 8.1185 130.6941 55.3226 32.6235 171.5284 53 C 5.1001 8.6083 117.1675 56.8384 42.3647 173.6581 54 Q 4.6954 9.0805 120.2242 54.9545 33.4218 173.7130 55 K 5.0412 9.1560 123.8928 54.4165 33.9651 175.6678 56 L 4.6355 8.5796 119.9043 54.9200 42.2124 175.7659 57 A 4.5971 7.8319 121.0211 51.3863 21.4600 174.7587 58 A 3.5999 8.5368 117.6463 52.5232 15.0525 176.2680 59 A 4.7569 7.6481 121.1302 51.1280 22.2406 175.8454 60 L 3.6793 8.4022 117.5135 56.1099 39.2141 174.7072 61 E 4.2900 8.2427 114.1393 56.5745 29.7081 175.5059 62 H 3.9913 7.8726 118.7744 57.0114 25.1087 173.9431 63 H 4.6759 8.5381 116.7629 56.1481 28.9272 175.1871 64 H 5.0996 8.1016 118.6513 56.7477 30.9151 174.8919 65 H 4.8109 7.9880 116.2063 54.9100 29.3897 172.8300 66 H 4.1055 9.3215 129.3329 57.1310 30.3161 174.3303 67 H 4.3472 8.4231 120.9079 56.7356 29.5446 173.1848 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 V 8.04 3.91 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 1.02 0.00 0.00 0.93 0.00 0.00 2 P 0.00 4.20 0.00 2.09 1.98 0.00 3.72 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 1.83 1.93 0.00 3 C 7.80 3.55 0.00 2.96 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 4 D 7.30 4.09 0.00 2.64 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 5 N 8.46 4.93 0.00 2.67 2.74 0.00 0.00 6.68 7.63 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 6 V 7.91 3.69 2.13 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 0.92 0.00 0.00 1.02 0.00 0.00 7 S 7.74 4.39 0.00 3.85 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 8 S 8.43 4.61 0.00 3.89 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 9 C 8.38 4.82 0.00 2.94 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 10 P 0.00 4.54 0.00 2.16 2.06 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 11 S 8.30 3.65 0.00 4.04 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 12 S 8.33 4.42 0.00 3.83 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 13 D 7.79 4.87 0.00 2.80 2.54 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 14 T 8.06 4.74 4.27 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 0.00 0.00 0.00 1.23 0.00 0.00 15 C 8.97 5.22 0.00 2.99 3.27 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 0.00 0.00 0.00 0.00 16 C 9.11 4.99 0.00 2.92 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 17 Q 8.15 3.67 0.00 1.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.68 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 18 L 7.08 4.85 0.00 1.83 1.46 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.29 4.55 4.18 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 1.17 0.00 0.00 20 S 7.60 4.54 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 22 E 7.52 4.96 0.00 2.20 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 2.24 2.34 0.00 23 W 9.10 4.92 0.00 3.14 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 24 G 8.94 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 0.00 0.00 0.00 0.00 25 C 8.73 5.21 0.00 3.02 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 26 C 8.78 4.67 0.00 3.26 2.79 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 27 P 0.00 4.71 0.00 2.22 2.13 0.00 3.76 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 1.98 1.98 0.00 28 I 7.13 4.63 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 1.35 0.67 0.91 0.00 0.00 29 P 0.00 4.72 0.00 2.26 2.12 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 30 E 7.21 4.37 0.00 2.04 1.96 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 2.17 2.30 0.00 31 A 8.50 3.76 1.34 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 0.00 0.00 32 V 7.94 4.24 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 0.78 0.00 0.00 0.92 0.00 0.00 33 C 8.29 4.62 0.00 3.04 2.94 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 34 C 8.09 4.91 0.00 3.01 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 35 S 8.65 5.19 0.00 3.96 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 36 D 8.73 4.57 0.00 2.81 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 37 H 8.73 3.77 0.00 3.29 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.79 3.48 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 39 H 8.40 5.01 0.00 3.31 3.24 0.00 5.69 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 40 C 7.65 4.67 0.00 2.95 2.82 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 41 C 7.80 5.10 0.00 3.25 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 42 P 0.00 4.62 0.00 2.19 2.25 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 43 Q 8.66 4.37 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 44 G 7.31 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 0.00 0.00 0.00 45 Y 7.24 5.04 0.00 2.85 2.83 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 0.00 0.00 0.00 0.00 46 T 8.74 4.70 4.37 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 1.24 0.00 0.00 47 C 8.77 4.59 0.00 2.99 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 48 V 7.72 4.56 2.24 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 0.76 0.00 0.00 1.00 0.00 0.00 49 A 8.60 4.20 1.25 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 0.00 0.00 50 E 8.91 3.87 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 51 G 7.11 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 0.00 0.00 0.00 0.00 52 Q 8.12 4.51 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 53 C 8.61 5.10 0.00 2.90 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.08 4.70 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 55 K 9.16 5.04 0.00 2.03 1.79 0.00 1.53 0.00 0.00 2.25 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.37 7.81 56 L 8.58 4.64 0.00 1.75 1.73 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.83 4.60 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.54 3.60 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 59 A 7.65 4.76 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 60 L 8.40 3.68 0.00 1.75 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.24 4.29 0.00 1.89 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 2.22 2.28 0.00 62 H 7.87 3.99 0.00 3.14 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.54 4.68 0.00 3.20 3.35 0.00 5.68 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 64 H 8.10 5.10 0.00 3.14 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.99 4.81 0.00 3.13 3.08 0.00 6.07 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.32 4.11 0.00 3.30 3.33 0.00 5.95 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 67 H 8.42 4.35 0.00 3.08 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00