NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4850 8.3349 115.3051 57.6331 63.8281 173.3237 8 D 4.6790 8.5784 125.7686 53.4297 41.8878 174.5870 9 F 5.3421 8.9877 115.9949 55.5136 42.0127 173.5587 10 V 4.4965 9.0275 112.7534 59.5435 35.1840 174.7825 11 V 4.8424 8.6015 124.2661 61.3417 33.7852 174.3756 12 I 4.9100 9.1319 128.6979 59.3527 40.6160 174.1627 13 K 5.0429 9.3638 128.7576 54.2217 34.6313 174.9761 14 A 4.4368 8.8607 130.3652 52.2018 19.1257 177.3809 15 L 4.6864 8.9513 122.4813 54.4830 42.6203 175.8183 16 E 4.6629 7.6765 115.8201 54.9134 32.4080 174.3122 17 D 4.4957 8.3999 119.0763 55.4543 41.3408 176.6171 18 G 3.8578 8.9348 109.3890 46.3309 0.0000 174.0974 19 V 3.9216 7.7075 119.8700 62.7147 32.8689 174.4480 20 N 5.3723 8.8926 124.3113 51.4228 41.6719 173.4969 21 V 4.5817 8.7988 124.0788 61.2391 33.8387 174.2050 22 I 4.7334 8.8940 129.3320 59.3691 39.9880 174.7597 23 G 4.2839 8.8784 114.7007 44.7480 0.0000 172.3502 24 L 5.6154 8.6221 124.3934 52.7165 44.4890 176.1684 25 T 4.5613 8.6576 114.2205 61.7695 69.4647 174.1793 26 R 4.4397 7.8225 125.8336 56.0661 30.9577 175.6767 27 G 3.8139 8.8751 110.7253 43.6962 0.0000 172.7684 28 A 4.0820 8.5471 121.9808 54.7252 18.5170 178.0138 29 D 4.7963 7.7803 113.7247 53.4374 42.4575 176.1846 30 T 4.7366 8.2378 117.9800 62.0000 71.3335 173.2408 31 R 4.6108 8.9407 122.3315 54.2321 33.7753 174.2727 32 F 5.2481 8.4071 119.0186 58.0990 38.9413 175.1812 33 H 4.9775 9.1214 118.6904 56.2939 30.4269 174.0917 34 H 4.7501 7.6515 117.1417 55.1204 33.2820 172.1182 35 S 4.8064 8.2558 119.1671 56.4888 64.8570 172.3424 36 E 4.4686 9.1501 129.7141 54.5497 30.9401 174.7384 37 K 4.7313 8.6068 128.8272 56.0077 33.6033 175.6845 38 L 4.9461 8.9308 126.8385 53.1620 45.0009 176.2384 39 D 4.9240 9.0239 123.9493 52.4694 43.1907 175.9545 40 K 4.0293 8.6314 121.3932 58.5957 32.3021 176.6154 41 G 4.0367 9.1800 115.4156 45.2270 0.0000 173.5678 42 E 4.3412 7.9813 119.1011 56.0959 30.9700 176.0309 43 V 4.9583 8.2468 121.2660 61.0316 34.6714 174.2593 44 L 4.7812 9.1917 129.4506 53.2504 44.9907 174.8156 45 I 5.0673 8.5088 126.3293 59.6082 39.3329 174.7346 46 A 4.7132 9.1740 129.3813 50.0985 21.8790 175.2826 47 Q 4.7285 8.6725 121.1411 55.2188 30.1959 175.9297 48 F 4.7751 8.4859 120.8689 58.0121 38.9760 175.0359 49 T 4.7030 8.9227 111.1805 60.1843 71.9255 174.0408 50 E 4.0666 8.9157 121.3184 59.2273 29.7536 177.1287 51 H 4.6147 7.8191 111.4695 56.0687 30.0062 174.1880 52 T 5.1834 8.2618 116.7900 61.8874 71.1662 174.3911 53 S 4.9878 8.9678 119.8883 58.0058 64.8329 173.4079 54 A 5.1353 7.9286 121.3506 51.1680 22.5908 175.2093 55 I 5.0066 8.5831 120.6332 59.3399 40.6970 174.7514 56 K 4.6063 9.0869 128.1896 54.4758 34.8832 174.6817 57 V 4.8100 8.3593 126.1386 61.1223 34.0166 174.5355 58 R 4.5447 8.9765 126.8106 55.3431 33.0489 175.6168 59 G 4.0036 9.0126 109.2899 43.8653 0.0000 172.8069 60 K 4.2713 9.2254 120.9224 56.1697 32.9647 175.6703 61 A 5.1850 8.4212 127.8945 50.6422 23.4879 173.4682 62 Y 4.9401 9.2049 121.6058 56.0125 41.0531 174.5468 63 I 4.9606 8.3405 127.6885 59.5304 40.6019 174.4591 64 Q 5.0623 8.9689 125.9831 54.3553 31.8892 174.8928 65 T 4.9072 8.5571 112.6841 59.6386 72.3251 174.5648 66 R 3.8281 8.4669 120.2717 59.3291 30.0625 176.8420 67 H 4.5818 8.3588 113.2632 56.1475 29.5954 175.2290 68 G 3.6498 6.6037 106.4219 44.2691 0.0000 172.0790 69 V 4.5884 7.8933 120.2705 61.1545 33.9917 176.5956 70 I 4.4140 8.6265 126.6460 59.3517 41.0462 173.1894 71 E 4.9899 9.4850 130.6049 54.3977 31.6431 175.8352 72 S 4.7176 8.5301 122.4996 58.3405 64.6610 173.1980 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 7 S 8.33 4.48 0.00 3.93 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 8 D 8.58 4.68 0.00 2.98 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 9 F 8.99 5.34 0.00 2.94 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 10 V 9.03 4.50 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 0.49 0.00 0.00 0.81 0.00 0.00 11 V 8.60 4.84 2.15 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 1.16 0.00 0.00 1.18 0.00 0.00 12 I 9.13 4.91 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.91 0.00 0.00 13 K 9.36 5.04 0.00 1.85 1.80 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.86 4.44 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 15 L 8.95 4.69 0.00 1.62 1.71 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.66 0.00 2.02 1.89 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 2.18 2.33 0.00 17 D 8.40 4.50 0.00 2.69 2.64 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 18 G 8.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.71 3.92 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 1.04 0.00 0.00 1.04 0.00 0.00 20 N 8.89 5.37 0.00 2.67 2.56 0.00 0.00 6.36 7.17 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 21 V 8.80 4.58 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 0.83 0.00 0.00 0.90 0.00 0.00 22 I 8.89 4.73 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.38 -0.03 0.00 0.00 23 G 8.88 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 0.00 0.00 0.00 0.00 24 L 8.62 5.62 0.00 1.93 1.70 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 4.56 4.31 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 1.38 0.00 0.00 26 R 7.82 4.44 0.00 1.93 2.01 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.88 3.81 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 0.00 0.00 0.00 28 A 8.55 4.08 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 29 D 7.78 4.80 0.00 2.68 2.60 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 30 T 8.24 4.74 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 1.26 0.00 0.00 31 R 8.94 4.61 0.00 1.75 1.92 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 32 F 8.41 5.25 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.12 4.98 0.00 3.12 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.65 4.75 0.00 3.34 3.12 0.00 5.80 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 35 S 8.26 4.81 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 4.47 0.00 2.14 1.79 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 2.25 2.29 0.00 37 K 8.61 4.73 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 L 8.93 4.95 0.00 1.56 1.51 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.02 4.92 0.00 2.61 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 40 K 8.63 4.03 0.00 1.70 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.18 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 0.00 0.00 0.00 42 E 7.98 4.34 0.00 2.05 1.87 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 2.32 2.36 0.00 43 V 8.25 4.96 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 0.81 0.00 0.00 0.95 0.00 0.00 44 L 9.19 4.78 0.00 1.72 1.45 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 5.07 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.87 0.00 0.00 46 A 9.17 4.71 1.11 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 0.00 0.00 47 Q 8.67 4.73 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.49 4.78 0.00 3.02 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 49 T 8.92 4.70 4.31 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 1.30 0.00 0.00 50 E 8.92 4.07 0.00 1.94 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 0.00 2.04 2.27 0.00 51 H 7.82 4.61 0.00 3.25 3.24 0.00 5.80 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 52 T 8.26 5.18 4.38 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 1.37 0.00 0.00 53 S 8.97 4.99 0.00 3.81 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 54 A 7.93 5.14 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 55 I 8.58 5.01 1.82 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.83 0.00 0.00 56 K 9.09 4.61 0.00 1.74 1.43 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.36 4.81 2.05 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 8.98 4.54 0.00 1.71 1.75 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 59 G 9.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 4.27 0.00 1.86 1.72 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.42 5.19 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 62 Y 9.20 4.94 0.00 3.06 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 63 I 8.34 4.96 1.83 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 1.19 0.45 0.83 0.00 0.00 64 Q 8.97 5.06 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 65 T 8.56 4.91 4.12 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 1.15 0.00 0.00 66 R 8.47 3.83 0.00 1.61 1.79 0.00 3.20 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 67 H 8.36 4.58 0.00 3.17 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.60 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.89 4.59 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 0.47 0.00 0.00 0.90 0.00 0.00 70 I 8.63 4.41 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.93 0.83 0.00 0.00 71 E 9.48 4.99 0.00 2.15 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 2.28 2.56 0.00 72 S 8.53 4.72 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00