NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4246 8.2893 120.3515 55.2275 33.3151 175.0690 2 E 4.1933 8.6601 124.3713 55.9427 31.0023 174.5570 3 Q 4.6506 8.6063 119.8343 54.9941 31.7922 176.3295 4 R 5.0055 8.3467 121.5446 55.2765 32.9479 174.1088 5 I 5.0050 8.8324 126.8294 59.4551 41.7012 175.5476 6 T 3.9888 8.4421 114.7914 60.9887 69.9019 174.9857 7 L 3.8516 8.5566 125.9116 58.4864 41.9795 179.3565 8 K 3.8453 7.9905 118.5737 59.9292 32.1283 178.2115 9 D 4.3678 8.1993 118.9042 57.2947 40.6255 178.1158 10 Y 4.0082 8.3856 120.0704 60.8366 38.8057 178.0624 11 A 4.3075 8.6065 123.4189 54.8279 18.2199 179.2923 12 M 3.8833 7.8992 115.9042 58.7673 32.4104 178.1909 13 R 3.8047 7.7827 117.6830 58.7984 30.3866 177.6156 14 F 4.5122 8.1897 115.2060 56.3390 40.1404 176.6761 15 G 4.0440 8.6225 108.0144 45.9895 0.0000 174.6976 16 Q 4.0618 8.7654 121.5146 59.0858 28.6964 179.5159 17 T 3.8272 7.8140 116.2071 66.6673 68.6639 176.5269 18 K 4.0034 8.0816 120.9257 59.6238 31.9721 178.7850 19 T 3.9830 8.0819 116.0065 66.5149 68.3766 176.3189 20 A 3.9999 8.1666 122.7079 55.0070 18.2008 179.5112 21 K 3.8340 7.8882 116.6357 59.9121 32.3964 178.1186 22 D 4.4993 8.2459 118.0218 57.2900 40.8860 178.3374 23 L 4.4041 8.1065 116.8455 54.0071 42.1153 177.2269 24 G 3.8513 8.1651 107.1202 46.5564 0.0000 173.9676 25 V 4.3475 7.5240 111.5696 58.8256 34.1792 175.0938 26 Y 4.2951 8.3494 122.4713 57.4667 39.2639 175.9114 27 Q 3.8398 8.5710 128.3717 59.6769 28.9324 179.0442 28 S 4.1367 7.1117 113.4928 60.6365 63.2441 175.9535 29 A 4.0959 8.2120 125.0455 54.9900 18.0010 179.5830 30 I 3.5895 7.5405 118.3213 64.5641 37.2481 177.8752 31 N 4.3350 8.1143 117.1696 56.9446 38.8102 176.8325 32 K 4.0200 8.1140 119.4681 59.4076 32.0573 179.2651 33 A 4.0651 8.0697 121.0872 55.4192 18.0380 179.1721 34 I 3.6389 7.9209 118.6208 64.5382 36.9376 177.7631 35 H 3.9387 8.4078 120.7778 59.0959 29.8896 175.9593 36 A 4.3369 7.9471 119.3809 51.0059 18.9324 176.8626 37 G 3.9991 9.2479 104.5839 46.7824 0.0000 174.3033 38 R 4.1478 7.8776 115.9699 55.5971 31.5958 178.8916 39 K 4.3128 8.4514 121.6489 55.1506 31.0779 174.2496 40 I 5.0445 7.5438 122.7056 59.2597 40.6056 174.5047 41 F 5.1297 9.2635 124.9267 55.6393 42.9344 173.9371 42 L 4.9927 9.1191 122.8163 53.5044 44.1567 175.4420 43 T 4.8070 8.0153 119.3816 61.8311 70.9435 173.3993 44 I 4.6143 8.4941 128.1274 59.5577 38.9613 175.7398 45 N 4.8147 9.3681 125.4611 52.4382 39.3021 176.5817 46 A 4.0227 8.4748 122.7441 55.3521 18.5138 178.5814 47 D 4.4721 7.9839 112.6346 54.2946 39.6739 177.1506 48 G 4.0041 8.1496 109.5476 44.9834 0.0000 174.2309 49 S 4.4239 8.1812 115.0326 58.3595 64.3525 173.5254 50 V 5.2067 8.5191 120.5543 60.3230 34.3847 174.0169 51 Y 5.0824 8.1259 122.8425 55.3485 41.6996 173.5106 52 A 5.2684 8.7319 121.3696 50.5852 22.3611 175.3608 53 E 4.8104 9.0066 117.7713 54.9824 34.5984 173.8746 54 E 5.0880 8.8447 123.6993 54.7297 31.5412 175.0792 55 V 4.6002 9.2927 126.3344 61.1301 34.0890 174.9084 56 K 4.7887 8.6346 125.8127 53.6726 35.8226 174.4092 57 P 4.4654 0.0000 0.0000 62.3809 31.9011 175.8540 58 W 4.7430 8.6300 130.8916 55.0370 32.8633 173.1905 59 P 3.9781 0.0000 0.0000 60.2498 32.7289 175.1433 60 S 4.0596 8.1671 113.4696 59.5916 63.3233 174.0176 61 N 4.4381 8.7857 119.7795 53.4463 38.5950 173.7950 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 M 8.29 4.42 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 E 8.66 4.19 0.00 2.10 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 2.27 2.34 0.00 3 Q 8.61 4.65 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 4 R 8.35 5.01 0.00 1.75 1.78 0.00 3.07 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 5 I 8.83 5.01 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 1.05 0.00 0.00 6 T 8.44 3.99 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 0.92 0.00 0.00 7 L 8.56 3.85 0.00 1.68 1.65 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.99 3.85 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 9 D 8.20 4.37 0.00 2.77 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 10 Y 8.39 4.01 0.00 3.17 3.12 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 0.00 11 A 8.61 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.90 3.88 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 13 R 7.78 3.80 0.00 1.54 1.70 0.00 2.88 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.72 0.00 14 F 8.19 4.51 0.00 2.99 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 15 G 8.62 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 16 Q 8.77 4.06 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 17 T 7.81 3.83 4.26 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 1.21 0.00 0.00 18 K 8.08 4.00 0.00 1.87 2.07 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.60 7.81 19 T 8.08 3.98 4.48 0.00 0.00 0.00 0.00 0.00 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 20 A 8.17 4.00 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 21 K 7.89 3.83 0.00 1.83 1.99 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 22 D 8.25 4.50 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.11 4.40 0.00 1.57 1.69 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 4.35 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 0.75 0.00 0.00 0.94 0.00 0.00 26 Y 8.35 4.30 0.00 2.94 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 27 Q 8.57 3.84 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 28 S 7.11 4.14 0.00 4.04 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 29 A 8.21 4.10 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 30 I 7.54 3.59 1.99 0.00 0.00 0.85 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 0.95 0.92 0.00 0.00 31 N 8.11 4.33 0.00 3.00 2.94 0.00 0.00 7.08 6.23 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 32 K 8.11 4.02 0.00 1.89 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.68 7.81 33 A 8.07 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.64 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.92 0.00 0.00 35 H 8.41 3.94 0.00 3.15 3.46 0.00 5.74 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 36 A 7.95 4.34 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 37 G 9.25 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 38 R 7.88 4.15 0.00 1.72 1.88 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 39 K 8.45 4.31 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.49 7.81 40 I 7.54 5.04 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.89 0.00 0.00 41 F 9.26 5.13 0.00 2.93 2.84 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 42 L 9.12 4.99 0.00 1.42 1.26 0.78 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.02 4.81 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 1.10 0.00 0.00 44 I 8.49 4.61 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.96 0.00 0.00 45 N 9.37 4.81 0.00 2.94 2.79 0.00 0.00 6.52 6.97 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 46 A 8.47 4.02 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 47 D 7.98 4.47 0.00 2.81 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 48 G 8.15 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 49 S 8.18 4.42 0.00 3.97 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 50 V 8.52 5.21 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 0.83 0.00 0.00 0.95 0.00 0.00 51 Y 8.13 5.08 0.00 3.04 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 52 A 8.73 5.27 1.18 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 0.00 0.00 0.00 53 E 9.01 4.81 0.00 2.01 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 2.46 2.53 0.00 54 E 8.84 5.09 0.00 2.02 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 2.27 2.33 0.00 55 V 9.29 4.60 2.26 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 0.85 0.00 0.00 0.99 0.00 0.00 56 K 8.63 4.79 0.00 1.81 1.71 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 57 P 0.00 4.47 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 58 W 8.63 4.74 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 59 P 0.00 3.98 0.00 1.68 0.77 0.00 3.24 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.00 60 S 8.17 4.06 0.00 3.97 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 61 N 8.79 4.44 0.00 2.88 2.82 0.00 0.00 5.99 7.56 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