NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8734 8.2076 120.4806 54.5095 43.2634 173.1916 9 F 5.2248 7.9158 114.4103 55.0448 41.2886 168.7374 10 V 4.4694 9.3319 112.5291 59.5509 36.0188 176.1046 11 V 4.7729 8.6388 124.2765 61.5498 33.4656 174.5665 12 I 4.9874 9.0352 128.4802 59.3662 40.8478 174.0660 13 K 4.9366 9.1706 128.6474 54.3239 34.7872 174.7506 14 A 4.4089 8.9453 130.4479 52.0447 18.8132 177.9897 15 V 4.2265 8.9309 123.7839 63.7577 32.5708 175.5009 16 E 4.8035 7.9013 115.9308 53.8401 32.7095 174.8354 17 D 4.5101 8.3562 118.9491 55.4787 41.4128 177.0669 18 G 3.8947 8.7693 109.3980 45.3551 0.0000 173.7254 19 V 3.9450 7.4306 119.9137 62.7948 32.9074 174.5004 20 N 5.3326 9.1369 125.0110 51.4524 41.5023 173.6275 21 V 4.3647 8.8321 124.4863 61.4145 33.5337 174.1478 22 I 4.6561 8.4975 129.8696 59.4200 39.5505 175.0176 23 G 4.2013 8.9654 114.5762 44.6638 0.0000 172.3878 24 L 5.5426 8.5033 124.3418 52.7535 44.3875 176.1377 25 T 4.2360 8.6913 114.2742 61.6748 69.3366 174.2314 26 R 4.4467 7.9181 126.7057 56.2718 30.9104 175.5970 27 G 3.8954 8.8285 111.1963 43.9987 0.0000 173.0651 28 T 3.9777 8.4796 109.2866 64.1549 68.9164 174.3260 29 D 4.7787 7.8030 120.0435 53.0368 42.4046 175.9557 30 T 4.6495 8.2834 117.9712 61.9760 70.9889 173.2945 31 K 4.7562 8.8211 125.0417 54.3117 37.1790 175.9793 32 F 5.1729 8.7174 120.9769 58.0609 39.1211 175.1912 33 H 4.9930 8.8843 117.7357 56.0865 30.6092 173.7874 34 H 4.6825 7.5805 116.7759 55.2085 33.2476 172.1109 35 S 4.8699 8.3808 119.6954 56.4765 64.6969 172.3405 36 E 4.4304 9.0992 129.7142 54.6688 30.9899 174.5554 37 K 4.7445 8.6146 128.8032 55.6880 33.1140 175.4395 38 L 4.9529 9.0331 127.5033 53.1120 44.4700 175.9821 39 D 4.6033 9.5027 123.7434 52.8203 42.8532 175.8808 40 K 3.8749 8.2965 121.1660 58.6964 32.3191 176.9971 41 G 4.0209 9.2363 115.3811 45.2162 0.0000 173.5158 42 E 4.3003 7.9607 119.3377 56.2381 30.8612 176.0821 43 V 4.8522 8.2096 121.1569 61.1422 34.7560 174.3793 44 I 4.5917 8.7961 127.1046 59.1748 41.3159 173.8878 45 I 5.0030 8.3994 128.6681 59.5494 39.2646 174.6930 46 A 4.6949 8.8526 128.9099 50.1356 21.8115 175.4008 47 Q 4.7902 8.5983 120.9827 54.9545 30.5246 175.6336 48 F 4.6154 8.6085 120.2540 57.8151 39.1393 175.3839 49 T 4.7155 8.9365 111.1485 60.4267 71.8254 174.2136 50 E 4.1357 8.9296 119.8939 59.3863 29.6700 177.6954 51 H 4.6985 7.8519 113.9971 56.2340 31.0239 173.8777 52 T 5.0742 8.2387 117.0239 62.2332 69.7873 174.0942 53 S 5.1368 8.6313 120.4971 58.0223 64.7726 173.4428 54 A 5.2041 7.9394 121.5723 51.1316 22.5499 175.2303 55 I 4.9408 8.6129 121.1546 59.2708 40.6109 174.7927 56 K 4.5722 8.9234 127.6446 54.4755 35.0004 174.5904 57 V 4.7620 8.3666 126.4170 61.0643 33.7682 174.4356 58 R 4.4553 8.8180 127.8065 55.4076 32.8667 174.1507 59 G 4.0770 9.0199 111.4190 43.2031 0.0000 172.0199 60 E 4.5691 10.7800 120.0931 55.6194 30.6420 175.1547 61 A 4.9332 8.7069 126.8275 51.0131 23.6020 174.2197 62 L 4.8159 8.6943 122.4670 53.5523 44.3164 175.2579 63 I 5.0513 8.7928 127.0936 59.6073 40.2070 174.4514 64 Q 5.1993 9.0206 125.5744 54.4267 32.2534 174.8880 65 T 4.9533 8.7135 112.5467 59.6491 72.3918 174.3619 66 A 3.8747 8.2811 123.0462 54.9500 18.2438 177.8518 67 Y 4.7347 7.2494 111.7357 57.5058 38.7462 174.4801 68 G 3.8586 7.2906 106.1331 44.0846 0.0000 172.8522 69 E 5.2687 8.5369 118.7385 55.1547 32.6791 175.3195 70 M 4.8618 8.8705 119.9792 54.2543 36.2807 173.4512 71 K 5.1721 8.6393 124.2367 54.6386 34.7961 175.9352 72 S 4.6848 8.5400 118.9884 57.6875 65.0496 172.9160 73 E 4.8710 8.2962 119.7194 55.0876 33.3372 175.9748 74 K 4.1479 8.5051 120.5999 57.1037 33.2016 175.4773 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 8 D 8.21 4.87 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 5.22 0.00 3.07 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 9.33 4.47 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 0.65 0.00 0.00 0.84 0.00 0.00 11 V 8.64 4.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.16 0.00 0.00 12 I 9.04 4.99 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.89 0.00 0.00 13 K 9.17 4.94 0.00 1.76 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.95 4.41 1.35 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 15 V 8.93 4.23 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 0.86 0.00 0.00 0.93 0.00 0.00 16 E 7.90 4.80 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 2.15 2.28 0.00 17 D 8.36 4.51 0.00 2.69 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 18 G 8.77 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 0.00 0.00 0.00 19 V 7.43 3.95 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 0.75 0.00 0.00 1.00 0.00 0.00 20 N 9.14 5.33 0.00 2.68 2.61 0.00 0.00 6.28 8.41 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 21 V 8.83 4.36 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 0.71 0.00 0.00 0.89 0.00 0.00 22 I 8.50 4.66 1.37 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 -0.19 0.00 0.00 23 G 8.97 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.50 5.54 0.00 1.88 1.67 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.69 4.24 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 1.32 0.00 0.00 26 R 7.92 4.45 0.00 1.93 2.03 0.00 3.24 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 27 G 8.83 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 28 T 8.48 3.98 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 29 D 7.80 4.78 0.00 2.71 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 30 T 8.28 4.65 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 1.29 0.00 0.00 31 K 8.82 4.76 0.00 1.73 1.65 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 32 F 8.72 5.17 0.00 2.85 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 33 H 8.88 4.99 0.00 3.16 3.42 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 7.58 4.68 0.00 3.32 3.09 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 8.38 4.87 0.00 3.82 3.64 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 36 E 9.10 4.43 0.00 2.11 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 2.28 0.00 37 K 8.61 4.74 0.00 1.78 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.03 4.95 0.00 1.54 1.51 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.50 4.60 0.00 2.55 2.70 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 40 K 8.30 3.87 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.56 7.81 41 G 9.24 4.02 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 0.00 0.00 0.00 42 E 7.96 4.30 0.00 2.03 1.86 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 2.32 2.34 0.00 43 V 8.21 4.85 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 0.77 0.00 0.00 0.93 0.00 0.00 44 I 8.80 4.59 1.85 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 1.19 1.16 0.88 0.00 0.00 45 I 8.40 5.00 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.59 0.00 0.00 46 A 8.85 4.69 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 8.60 4.79 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 48 F 8.61 4.62 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.72 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 50 E 8.93 4.14 0.00 1.98 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 0.00 2.33 2.39 0.00 51 H 7.85 4.70 0.00 3.12 3.23 0.00 5.72 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 8.24 5.07 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 1.23 0.00 0.00 53 S 8.63 5.14 0.00 3.83 4.10 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 54 A 7.94 5.20 1.30 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 0.00 0.00 55 I 8.61 4.94 1.82 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.84 0.00 0.00 56 K 8.92 4.57 0.00 1.65 1.34 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.31 7.81 57 V 8.37 4.76 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 0.81 0.00 0.00 0.89 0.00 0.00 58 R 8.82 4.46 0.00 1.87 1.69 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 59 G 9.02 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 0.00 0.00 0.00 60 E 10.78 4.57 0.00 2.14 1.86 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 2.28 2.41 0.00 61 A 8.71 4.93 1.24 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 0.00 0.00 0.00 62 L 8.69 4.82 0.00 1.78 1.53 0.97 0.97 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 63 I 8.79 5.05 1.99 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 1.22 0.58 0.90 0.00 0.00 64 Q 9.02 5.20 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 65 T 8.71 4.95 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 1.13 0.00 0.00 66 A 8.28 3.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.25 4.73 0.00 3.00 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 68 G 7.29 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 69 E 8.54 5.27 0.00 1.85 1.86 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 2.21 2.27 0.00 70 M 8.87 4.86 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 71 K 8.64 5.17 0.00 1.65 1.69 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.40 7.81 72 S 8.54 4.68 0.00 3.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.87 0.00 1.83 1.86 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 2.19 2.26 0.00 74 K 8.51 4.15 0.00 1.96 1.76 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81