NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2332 8.2644 123.5823 51.7259 19.8902 176.2136 2 M 3.9309 8.5163 120.5263 54.0911 32.2580 174.2359 3 D 4.6278 9.4994 126.1346 52.5806 40.9604 176.5290 4 K 3.9165 8.0609 118.0373 57.3146 29.6550 177.1842 5 S 4.0170 8.5261 113.6526 58.8343 63.4199 174.7857 6 A 3.7233 7.5864 123.3154 52.7911 16.6279 176.9033 7 K 4.9545 7.7948 116.3833 57.1492 33.4169 176.1769 8 A 4.7942 8.6325 123.3061 49.7791 23.4510 173.6880 9 P 4.6005 0.0000 0.0000 62.7032 32.3386 176.0543 10 V 4.1065 8.9283 126.6561 61.6935 32.6982 174.4545 11 I 4.9288 8.3125 128.9588 60.0214 39.1035 175.2560 12 T 4.3536 8.8598 123.2289 61.7596 71.5651 173.1128 13 I 4.3016 8.2189 127.9073 60.2431 38.1692 175.8698 14 F 4.4154 9.2165 128.6736 56.0972 38.9497 173.6458 15 D 4.9957 8.4681 122.3510 52.3548 41.0766 175.6995 16 H 5.1173 8.5424 128.0954 54.4316 29.6936 175.1618 17 R 4.3256 7.1687 118.0506 57.3537 30.3919 178.0048 18 G 3.9288 8.5081 112.3034 45.4900 0.0000 173.0922 19 C 4.3149 7.8508 120.8240 58.7947 32.0018 173.8604 20 S 4.2041 8.5659 121.0252 60.0909 63.1582 174.0429 21 R 4.0800 7.8245 121.9036 55.1820 29.9859 175.5829 22 A 4.1833 8.4062 128.9520 51.1304 19.1376 175.2112 23 P 4.4534 0.0000 0.0000 63.1000 31.9805 176.0654 24 K 4.6774 7.9691 115.3935 57.9766 38.3872 177.4281 25 E 4.0155 8.2597 118.8708 59.1936 29.5764 176.7211 26 Y 4.3061 7.9408 120.7370 57.4996 39.3060 175.2451 27 T 4.3265 7.8381 115.4010 61.0425 69.5620 174.4417 28 G 3.5831 5.6785 110.3452 43.8713 0.0000 173.3359 29 A 4.1449 8.2729 121.5350 52.0778 18.9071 177.6435 30 K 4.5740 8.3634 119.6214 55.7864 33.3014 177.2604 31 A 4.2026 9.4474 125.0016 52.7001 19.0701 178.2623 32 G 3.8378 9.6007 103.5765 46.3521 0.0000 173.7087 33 G 4.0288 7.4892 107.6842 45.3921 0.0000 174.7916 34 K 4.0407 8.3670 117.7148 58.8677 32.3288 178.7981 35 D 4.3324 8.1087 118.6788 57.0585 40.8235 177.6790 36 D 4.5444 8.2867 117.7217 55.9667 40.6903 176.4882 37 E 4.7480 8.4369 118.6791 56.1409 30.8576 175.2042 38 M 5.1824 7.7670 118.3750 54.2490 36.3276 174.3551 39 M 4.6213 8.9705 119.2216 54.5607 36.4935 173.2868 40 V 4.6927 8.3351 124.9132 61.2505 33.2797 174.5099 41 K 4.8186 9.1679 129.3334 54.7816 34.4872 174.6835 42 A 5.2782 8.4073 126.8600 50.6555 22.6119 174.9707 43 Q 4.5461 8.6043 119.8921 54.8637 33.2678 173.3173 44 S 4.8323 8.6834 121.3885 58.0748 63.3208 173.2803 45 V 4.4997 8.4909 126.5413 60.6386 35.1201 174.2187 46 K 4.5347 8.7306 129.1064 56.6245 32.6669 176.0073 47 I 4.1902 8.6504 129.9109 60.8737 37.7142 175.5505 48 E 4.7333 8.7709 125.6577 54.3510 33.0002 175.2661 49 V 4.3783 8.1430 121.1419 60.5390 34.4660 176.0942 50 S 4.5683 8.3906 122.0227 57.8208 65.5630 175.3559 51 T 4.0232 8.3787 112.9306 64.7135 68.5427 176.9116 52 G 3.5989 8.0462 108.2387 47.9229 0.0000 175.6810 53 T 3.8650 8.1769 118.1444 66.2887 68.5136 176.5510 54 A 4.0035 8.0934 122.6540 55.3398 18.3699 179.5432 55 E 4.0392 8.6899 117.5697 59.4390 29.5018 179.8488 56 G 3.5920 8.1665 105.8454 47.8275 0.0000 175.9995 57 V 3.6106 7.9760 120.8491 65.3386 31.4459 177.7397 58 L 3.8993 8.0464 119.9822 58.2253 41.9343 178.8906 59 A 3.9707 8.1071 120.5151 55.4575 18.3268 179.6314 60 T 3.8103 8.0272 114.2154 66.9631 68.4956 177.0266 61 S 4.1301 8.3276 117.1404 61.6134 62.6491 176.7290 62 L 3.9615 7.9460 120.4144 57.8418 41.4340 179.2307 63 A 4.1422 7.8948 119.6778 54.6494 18.3894 179.2629 64 K 4.1807 8.0360 116.3669 57.7859 32.6890 177.7106 65 M 4.3488 7.5222 115.9917 55.3787 31.7737 174.7617 66 T 4.4723 8.1790 107.1133 62.2465 70.8614 174.0325 67 K 4.1108 7.7048 125.6592 56.3197 32.3072 175.4574 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 A 8.26 4.23 1.27 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 0.00 0.00 2 M 8.52 3.93 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 3 D 9.50 4.63 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.92 0.00 2.01 1.96 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 5 S 8.53 4.02 0.00 3.98 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 6 A 7.59 3.72 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 7 K 7.79 4.95 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 8 A 8.63 4.79 1.20 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 9 P 0.00 4.60 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 V 8.93 4.11 2.18 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 0.93 0.00 0.00 0.93 0.00 0.00 11 I 8.31 4.93 1.85 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 1.34 0.73 0.89 0.00 0.00 12 T 8.86 4.35 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 13 I 8.22 4.30 1.79 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 1.28 0.76 0.89 0.00 0.00 14 F 9.22 4.42 0.00 2.99 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 5.00 0.00 2.68 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 16 H 8.54 5.12 0.00 3.29 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.17 4.33 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 18 G 8.51 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 19 C 7.85 4.31 0.00 2.99 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 20 S 8.57 4.20 0.00 4.02 3.98 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 0.00 0.00 0.00 21 R 7.82 4.08 0.00 1.80 1.90 0.00 3.40 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 22 A 8.41 4.18 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 23 P 0.00 4.45 0.00 2.08 2.01 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 24 K 7.97 4.68 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.38 7.81 25 E 8.26 4.02 0.00 1.90 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 2.25 2.32 0.00 26 Y 7.94 4.31 0.00 3.00 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 27 T 7.84 4.33 4.09 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 0.00 0.00 1.12 0.00 0.00 28 G 5.68 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.14 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 30 K 8.36 4.57 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.46 7.81 31 A 9.45 4.20 1.27 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 0.00 0.00 32 G 9.60 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 33 G 7.49 4.03 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 0.00 0.00 0.00 34 K 8.37 4.04 0.00 1.80 1.88 0.00 1.70 0.00 0.00 2.00 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.41 7.81 35 D 8.11 4.33 0.00 2.68 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 36 D 8.29 4.54 0.00 2.78 2.75 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 37 E 8.44 4.75 0.00 2.01 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 0.00 2.24 2.26 0.00 38 M 7.77 5.18 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 39 M 8.97 4.62 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 40 V 8.34 4.69 2.08 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 0.83 0.00 0.00 0.92 0.00 0.00 41 K 9.17 4.82 0.00 2.10 1.97 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 A 8.41 5.28 1.19 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 0.00 0.00 0.00 0.00 0.00 43 Q 8.60 4.55 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 44 S 8.68 4.83 0.00 3.93 3.77 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 45 V 8.49 4.50 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 0.89 0.00 0.00 1.01 0.00 0.00 46 K 8.73 4.53 0.00 1.81 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.63 7.81 47 I 8.65 4.19 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 1.38 0.93 0.91 0.00 0.00 48 E 8.77 4.73 0.00 1.90 1.80 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 2.19 2.40 0.00 49 V 8.14 4.38 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 50 S 8.39 4.57 0.00 4.09 3.98 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 0.00 0.00 0.00 51 T 8.38 4.02 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 1.21 0.00 0.00 52 G 8.05 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 53 T 8.18 3.86 4.39 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 1.21 0.00 0.00 54 A 8.09 4.00 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 55 E 8.69 4.04 0.00 2.13 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 0.00 2.33 2.50 0.00 56 G 8.17 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 0.00 0.00 0.00 57 V 7.98 3.61 2.08 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 1.07 0.00 0.00 0.97 0.00 0.00 58 L 8.05 3.90 0.00 1.87 1.84 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.11 3.97 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 60 T 8.03 3.81 4.39 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 1.21 0.00 0.00 61 S 8.33 4.13 0.00 3.98 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 62 L 7.95 3.96 0.00 1.74 1.73 0.92 0.95 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 63 A 7.89 4.14 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 64 K 8.04 4.18 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 65 M 7.52 4.35 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 66 T 8.18 4.47 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 1.21 0.00 0.00 67 K 7.70 4.11 0.00 1.83 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81