NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4814 0.0000 0.0000 62.4044 33.6317 175.1378 2 I 4.7147 8.2398 122.8270 59.2868 40.3672 172.8228 3 A 4.7470 9.1007 130.0531 50.0221 22.0046 174.6476 4 Q 4.8794 8.6917 122.8984 54.4427 31.4011 174.4090 5 I 4.4620 8.7548 128.3021 59.9249 39.7066 174.4223 6 H 5.2620 8.8286 124.4762 54.2797 29.9362 174.3170 7 I 4.6061 8.5958 117.0414 58.5748 41.1858 174.8986 8 L 4.6671 8.3020 123.3754 54.2146 41.9638 176.8994 9 E 3.9978 9.1216 121.6095 57.4116 30.1481 176.6268 10 G 3.4374 8.7896 110.8879 45.6908 0.0000 174.5088 11 R 4.3657 7.5990 119.5082 55.4255 31.3839 176.5206 12 S 4.5650 8.4669 115.2991 57.6981 65.6519 175.1419 13 D 4.3701 8.4410 121.5972 57.5450 40.5164 178.9293 14 E 4.0080 8.0873 118.7294 59.4039 29.5281 179.2009 15 Q 4.0141 7.9568 117.8015 58.9061 28.7904 178.8822 16 K 4.0735 8.0586 119.2932 59.0287 32.1538 179.0898 17 E 3.9779 8.3444 119.9185 59.3108 29.5163 179.0736 18 T 3.8589 7.9530 116.0014 66.3565 68.5077 176.3067 19 L 3.9063 7.8474 122.2692 58.5024 41.9112 179.1643 20 I 3.6792 7.8196 119.4867 64.1910 37.0609 178.5641 21 R 3.9083 7.7677 119.0722 59.3759 30.0154 178.1211 22 E 3.9198 8.6228 118.6563 59.7025 29.5598 179.5941 23 V 3.5988 7.9686 118.0327 66.2575 31.4611 178.2594 24 S 4.1676 7.8624 114.8329 61.3998 62.5417 176.5659 25 E 3.9620 8.1815 120.9374 59.2191 29.3423 178.8064 26 A 4.0219 8.0939 120.8294 55.4012 18.3624 179.8826 27 I 3.6576 7.7589 118.0597 64.3936 37.2539 178.3531 28 S 4.1732 7.8253 113.8986 61.6510 62.2406 176.5909 29 R 4.0005 8.4203 119.0167 59.2839 29.0162 178.8962 30 S 4.1529 7.9985 115.2981 60.5573 62.9376 175.5384 31 L 4.5079 7.7623 118.1918 53.1732 42.2530 175.6764 32 D 4.3352 7.4295 116.5469 55.1136 40.2153 172.8642 33 A 4.7163 7.7078 118.9453 48.9142 21.1095 176.1148 34 P 4.3048 0.0000 0.0000 62.5341 32.0793 176.9607 35 L 3.9457 8.8974 125.0941 58.3986 41.9904 178.9999 36 T 3.9863 7.9171 107.1638 63.9211 68.6630 174.8732 37 S 4.3902 8.0824 116.1363 59.3459 63.8214 174.6662 38 V 4.0013 7.4377 122.2347 62.9132 32.1099 175.5079 39 R 4.6558 8.7420 125.7280 54.4125 33.3217 174.4589 40 V 4.8871 8.5308 123.4383 61.0846 34.4737 174.6488 41 I 4.5889 8.5981 126.7479 59.6609 40.5565 174.2245 42 I 4.7595 8.4258 127.7643 60.0473 39.0597 175.3205 43 T 4.5049 8.7689 123.0106 61.7989 71.5307 173.0200 44 E 4.8883 8.8324 126.2447 55.8302 31.0979 175.7967 45 M 4.8653 8.9226 122.6842 53.1697 35.3398 175.2979 46 A 4.7069 8.4681 124.4826 51.1207 19.3902 178.5734 47 K 3.7055 9.4916 121.5844 59.2756 32.3947 178.7068 48 G 4.2061 8.0020 105.2085 45.6278 0.0000 173.4299 49 H 4.9694 8.9389 114.7819 54.8846 29.8921 173.2910 50 F 5.0597 8.1866 122.5087 56.3336 41.4098 173.6411 51 G 4.1300 8.3572 116.6767 43.6142 0.0000 172.5958 52 I 4.0110 8.2628 123.2512 60.0561 39.3595 176.0538 53 G 3.9075 9.2542 113.1017 46.1283 0.0000 173.2708 54 G 3.9949 8.3583 108.8180 44.9229 0.0000 174.2635 55 E 4.5059 7.6141 118.7677 54.5981 31.1459 175.7753 56 L 4.4461 8.1030 120.8462 54.3706 42.5371 178.2600 57 A 4.0515 8.9404 126.0486 55.3575 18.5639 179.5547 58 S 4.2841 7.9389 109.9482 60.2022 63.2633 174.5162 59 K 4.1731 7.7080 124.0389 56.6593 32.3426 175.6174 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 4.48 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.24 4.71 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 1.27 0.71 0.91 0.00 0.00 3 A 9.10 4.75 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 4 Q 8.69 4.88 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.65 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 5 I 8.75 4.46 1.83 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 1.21 0.63 0.88 0.00 0.00 6 H 8.83 5.26 0.00 2.91 3.11 0.00 5.83 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 7 I 8.60 4.61 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 1.17 1.10 0.86 0.00 0.00 8 L 8.30 4.67 0.00 1.52 1.62 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.12 4.00 0.00 2.00 2.17 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 2.29 2.28 0.00 10 G 8.79 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.37 0.00 1.80 1.97 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 12 S 8.47 4.57 0.00 4.21 3.99 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 13 D 8.44 4.37 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 14 E 8.09 4.01 0.00 2.05 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 0.00 2.39 2.45 0.00 15 Q 7.96 4.01 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.06 4.07 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.34 3.98 0.00 2.19 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 0.00 2.30 2.34 0.00 18 T 7.95 3.86 4.46 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 0.00 0.00 1.21 0.00 0.00 19 L 7.85 3.91 0.00 1.87 1.86 0.91 1.08 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 20 I 7.82 3.68 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 1.39 0.62 0.90 0.00 0.00 21 R 7.77 3.91 0.00 1.88 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.62 3.92 0.00 1.96 1.98 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 2.49 2.47 0.00 23 V 7.97 3.60 2.19 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 1.02 0.00 0.00 0.94 0.00 0.00 24 S 7.86 4.17 0.00 4.16 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 25 E 8.18 3.96 0.00 2.20 1.98 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 2.32 2.32 0.00 26 A 8.09 4.02 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 27 I 7.76 3.66 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 1.41 1.04 0.91 0.00 0.00 28 S 7.83 4.17 0.00 3.99 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 29 R 8.42 4.00 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.00 4.15 0.00 4.04 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 31 L 7.76 4.51 0.00 1.61 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.43 4.34 0.00 2.92 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 33 A 7.71 4.72 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.90 3.95 0.00 1.74 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.92 3.99 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 37 S 8.08 4.39 0.00 3.96 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 38 V 7.44 4.00 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 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.74 4.66 0.00 1.76 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.89 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.60 4.59 1.84 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 1.21 0.65 0.87 0.00 0.00 42 I 8.43 4.76 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.77 4.50 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 1.16 0.00 0.00 44 E 8.83 4.89 0.00 1.83 1.84 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 2.24 2.30 0.00 45 M 8.92 4.87 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 46 A 8.47 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.49 3.71 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.56 7.81 48 G 8.00 4.21 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 0.00 49 H 8.94 4.97 0.00 3.28 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.06 0.00 2.98 2.93 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 51 G 8.36 4.13 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 0.00 0.00 0.00 52 I 8.26 4.01 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.83 0.00 0.00 53 G 9.25 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 54 G 8.36 3.99 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 0.00 55 E 7.61 4.51 0.00 1.91 1.83 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 2.23 2.38 0.00 56 L 8.10 4.45 0.00 1.74 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.94 4.05 1.58 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 58 S 7.94 4.28 0.00 3.96 4.15 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 K 7.71 4.17 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.33 7.81