NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4411 0.0000 0.0000 62.8673 33.2504 174.5843 2 M 4.9110 8.5137 120.3723 52.8630 35.5387 173.2169 3 L 4.7193 9.6684 127.7628 53.5641 45.5640 174.2919 4 E 4.9010 8.8606 126.1161 55.1064 31.2744 175.9723 5 V 4.3737 8.4244 123.4650 60.9932 34.6881 173.9889 6 F 5.3665 8.9560 125.9649 55.8882 40.8851 174.0265 7 Y 4.7542 9.1340 124.9172 55.7734 41.8070 174.1210 8 S 4.5206 7.7032 119.5957 56.2804 65.9338 173.3228 9 G 3.9078 7.7755 111.7480 45.7561 0.0000 172.2706 10 D 4.5146 9.0195 118.3977 56.7737 40.9299 177.3445 11 R 4.7210 7.6714 115.6510 53.2786 33.2174 173.7532 12 P 4.4075 0.0000 0.0000 61.6366 32.0235 174.5239 13 P 4.2005 0.0000 0.0000 62.2704 31.6549 176.6011 14 D 4.5974 8.3596 121.7694 52.9040 41.5553 177.3698 15 R 3.9671 8.4679 117.7016 59.8658 29.8914 179.2257 16 T 4.0351 7.9561 114.7715 66.9027 68.5049 176.6960 17 R 3.9575 8.2302 119.8422 59.1990 29.9951 179.3326 18 K 4.1301 7.8028 117.0724 59.1842 31.9311 179.4385 19 Q 3.9622 8.5613 118.7417 58.9464 28.6172 178.6913 20 A 3.9721 8.1098 121.6181 55.2747 18.3719 179.4810 21 F 3.9861 8.4114 118.9003 61.2392 39.4037 177.2650 22 A 3.7563 8.3356 120.4040 54.9443 18.2458 179.3588 23 A 3.8714 8.0918 119.4560 55.4558 18.3620 179.8067 24 E 3.8224 8.3553 117.0804 59.3284 29.5132 179.2971 25 A 3.8489 7.6181 121.0284 55.1919 18.2629 179.8438 26 S 4.0341 8.1479 113.3479 61.8660 62.8915 176.9115 27 A 3.9885 7.9055 123.2000 54.9966 18.0120 179.8960 28 I 3.6089 8.0704 118.7706 64.6945 37.2492 178.5514 29 F 4.0471 8.2764 118.6392 60.5358 38.6897 177.6291 30 Q 4.1650 8.4260 119.4762 59.3532 28.7153 178.3105 31 R 3.9183 8.1583 118.8007 58.8930 30.1557 177.8732 32 V 4.0183 7.8006 117.1740 63.8904 32.0313 176.3165 33 I 4.4214 7.5462 107.9177 59.9209 38.3738 175.9501 34 G 3.8360 8.3495 108.7232 46.0827 0.0000 173.5465 35 T 3.9940 7.8277 114.3301 60.6887 67.8303 172.5365 36 P 4.3951 0.0000 0.0000 61.8687 32.0672 174.0563 37 P 4.4778 0.0000 0.0000 64.1487 31.8508 176.6925 38 G 3.9780 9.0089 109.6717 45.4093 0.0000 174.2310 39 R 4.2341 7.3405 116.5312 56.5539 30.9394 176.5050 40 L 3.7097 7.6806 120.6711 55.3301 42.6918 176.6686 41 Q 4.2983 8.6921 126.3433 54.8919 29.1512 173.8694 42 L 4.9844 8.2114 125.9958 53.2878 44.2024 175.6386 43 I 4.4859 8.5378 125.9009 59.7375 40.6523 174.1958 44 I 4.5003 8.3441 128.3239 60.0397 38.6645 175.2890 45 Q 4.4409 8.9264 128.1368 54.2789 31.6095 174.3858 46 I 4.6659 8.5282 128.4714 60.8865 37.7371 175.6465 47 V 4.5545 8.7484 122.1649 59.3654 33.2752 176.7604 48 S 4.4308 8.6302 119.6856 57.1301 64.0595 173.1319 49 P 4.2727 0.0000 0.0000 65.9013 31.1562 178.4262 50 E 4.0465 8.1521 113.9787 58.3261 29.7431 176.9772 51 N 4.8026 8.4140 116.5516 53.0363 38.6842 173.7145 52 T 4.6183 7.3090 112.6396 60.2138 70.8379 173.2971 53 L 3.9648 8.5830 123.4334 57.6322 42.2815 176.4552 54 A 4.1520 8.0262 124.8122 52.5551 18.1410 176.8419 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 P 0.00 4.44 0.00 1.73 2.25 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 2 M 8.51 4.91 0.00 2.08 1.90 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 2.54 2.60 0.00 3 L 9.67 4.72 0.00 1.67 1.51 1.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.86 4.90 0.00 1.92 1.46 0.00 0.00 0.00 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 2.28 0.00 5 V 8.42 4.37 1.97 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 0.88 0.00 0.00 0.96 0.00 0.00 6 F 8.96 5.37 0.00 2.89 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 7 Y 9.13 4.75 0.00 2.99 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 8 S 7.70 4.52 0.00 3.75 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 0.00 0.00 0.00 10 D 9.02 4.51 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.72 0.00 1.75 1.81 0.00 3.30 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 12 P 0.00 4.41 0.00 2.02 2.01 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 13 P 0.00 4.20 0.00 1.99 1.75 0.00 3.47 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 14 D 8.36 4.60 0.00 2.95 2.85 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 15 R 8.47 3.97 0.00 1.83 2.03 0.00 3.29 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 16 T 7.96 4.04 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 1.21 0.00 0.00 17 R 8.23 3.96 0.00 1.82 1.94 0.00 3.05 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 18 K 7.80 4.13 0.00 2.00 1.88 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 Q 8.56 3.96 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 20 A 8.11 3.97 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 21 F 8.41 3.99 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 22 A 8.34 3.76 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.87 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 24 E 8.36 3.82 0.00 1.79 1.91 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 2.30 2.45 0.00 25 A 7.62 3.85 0.99 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 0.00 0.00 26 S 8.15 4.03 0.00 3.94 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 27 A 7.91 3.99 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 28 I 8.07 3.61 1.86 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 1.47 0.68 0.71 0.00 0.00 29 F 8.28 4.05 0.00 3.21 3.05 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 0.00 0.00 0.00 0.00 30 Q 8.43 4.16 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 31 R 8.16 3.92 0.00 1.88 2.04 0.00 3.29 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 7.80 4.02 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 0.86 0.00 0.00 0.85 0.00 0.00 33 I 7.55 4.42 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 1.50 0.98 0.91 0.00 0.00 34 G 8.35 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 35 T 7.83 3.99 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 1.41 0.00 0.00 36 P 0.00 4.40 0.00 2.20 1.96 0.00 3.64 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 37 P 0.00 4.48 0.00 2.16 2.04 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 38 G 9.01 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 0.00 0.00 0.00 39 R 7.34 4.23 0.00 1.80 1.94 0.00 3.16 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 40 L 7.68 3.71 0.00 1.33 1.41 0.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.69 4.30 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 42 L 8.21 4.98 0.00 1.59 1.52 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.54 4.49 1.78 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 1.19 0.65 0.81 0.00 0.00 44 I 8.34 4.50 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.86 0.00 0.00 45 Q 8.93 4.44 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 46 I 8.53 4.67 1.92 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 0.95 1.03 0.00 0.00 47 V 8.75 4.55 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 0.93 0.00 0.00 0.95 0.00 0.00 48 S 8.63 4.43 0.00 4.02 4.01 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 0.00 0.00 0.00 49 P 0.00 4.27 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 50 E 8.15 4.05 0.00 2.07 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 0.00 2.28 2.33 0.00 51 N 8.41 4.80 0.00 2.85 2.86 0.00 0.00 6.64 7.40 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 52 T 7.31 4.62 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 1.27 0.00 0.00 53 L 8.58 3.96 0.00 1.60 1.65 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.03 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00