NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3406 0.0000 0.0000 62.5480 32.5996 175.4112 6 D 4.8797 8.6544 121.3476 52.5374 41.8830 172.1971 7 E 4.7897 8.9816 125.5875 54.3253 32.8198 174.4306 8 S 5.5106 8.2147 119.3108 56.8000 66.7969 172.6442 9 F 5.2711 9.5331 119.0711 56.0966 43.9285 173.3311 10 L 5.0341 9.2236 122.6426 53.4130 43.9375 174.7695 11 C 5.2833 9.3647 122.6533 55.6852 38.6032 172.6344 12 Y 4.8303 9.1675 123.7129 57.1487 38.3042 175.4591 13 Q 4.9625 9.0426 123.6116 53.2777 31.8160 175.2330 14 P 4.6237 0.0000 0.0000 65.0898 31.1546 177.2549 15 D 5.0765 8.1322 115.0825 53.1121 41.1766 174.8676 16 Q 4.3648 7.6054 117.6640 55.1349 32.6244 173.1332 17 V 4.5786 8.1803 119.9406 61.1794 34.3287 173.5059 18 C 5.5872 8.9981 124.3723 55.1251 40.3672 173.1163 19 A 4.9724 9.3179 126.1089 51.3997 20.1792 176.1064 20 F 5.0385 9.4429 119.4452 55.6619 43.1872 174.0011 21 I 5.0708 8.6412 123.9621 59.7657 39.9468 174.0284 22 C 5.8333 9.9902 124.0640 55.2673 44.6220 173.2290 23 R 4.7858 9.5587 121.5935 54.6930 32.7610 176.2419 24 G 4.0624 9.2233 112.1954 45.8672 0.0000 172.2997 25 A 4.5416 7.7435 119.6952 51.2781 22.0335 175.9058 26 A 4.4087 8.0398 120.7860 49.5385 22.2255 174.4986 27 P 3.7075 0.0000 0.0000 62.4988 31.8730 176.9590 28 L 4.2754 8.9921 122.3450 53.7333 42.1254 176.6234 29 P 4.2296 0.0000 0.0000 65.5361 31.3321 178.6309 30 S 4.3316 7.9689 110.7541 59.8294 63.0060 174.4086 31 E 4.2946 8.2320 120.3374 56.6646 30.0056 177.0145 32 G 3.8148 7.5771 105.0262 44.0493 0.0000 173.7874 33 E 4.3538 8.4964 119.4403 56.1943 29.4772 174.5007 34 C 5.3439 8.6267 121.6515 55.6183 40.7474 172.7747 35 N 5.3148 9.6518 121.9365 50.5321 41.0855 172.6472 36 P 4.2831 0.0000 0.0000 63.5070 31.9931 175.3439 37 H 4.6553 8.4316 122.3440 54.4234 33.2291 171.8012 38 P 4.2635 0.0000 0.0000 62.7028 31.8631 175.9209 39 T 3.7795 8.1824 115.9014 61.8421 68.0712 174.6615 40 A 4.4068 7.7974 129.8408 50.1858 21.4847 176.3056 41 P 4.1184 0.0000 0.0000 65.6827 31.4462 179.1120 42 W 4.2103 8.1842 114.5055 59.4906 27.8667 178.0658 43 A 3.2504 6.3772 121.0970 54.5889 17.6216 179.4327 44 R 3.7397 7.6736 113.6225 59.6600 29.3072 178.4793 45 E 4.1836 8.2672 118.5197 58.5423 29.6616 178.6770 46 G 3.9089 7.9712 104.1927 45.5388 0.0000 174.3340 47 A 4.3654 7.8758 125.3162 50.8452 17.0704 176.4930 48 V 3.8269 7.6070 113.8116 61.6318 33.3451 176.1888 49 E 4.4410 7.6038 121.4522 54.3315 30.8512 175.4889 50 W 4.6936 8.7796 127.5692 56.8950 30.1402 176.1192 51 V 4.7258 9.0544 116.9538 58.6411 35.3575 173.4344 52 P 4.8610 0.0000 0.0000 63.2003 32.1171 175.6711 53 Y 4.4729 9.2495 125.3400 57.3138 42.4954 174.0021 54 S 3.5744 8.0199 123.4298 60.2457 62.1390 172.3329 55 T 4.7008 8.6601 106.2690 61.1178 69.8269 174.1741 56 G 4.2575 8.1573 116.1879 45.8182 0.0000 174.5222 57 Q 5.5496 9.7471 122.3326 55.3954 32.0037 172.0208 58 C 5.8472 9.4025 117.4333 55.6552 46.3132 172.9804 59 R 4.9523 8.5203 119.5449 53.9414 32.5521 175.1252 60 T 4.9954 7.8240 115.5413 60.2561 70.9118 172.4576 61 T 4.6042 7.7438 118.3416 61.3375 70.7861 172.7089 62 C 5.7608 8.7876 123.2735 55.1584 42.1088 173.2105 63 I 4.6204 8.0927 114.0505 58.1335 40.7251 173.1730 64 P 4.6561 0.0000 0.0000 62.3505 32.5571 175.3124 65 Y 4.1668 7.5767 118.3715 58.1440 38.3360 177.2170 66 V 3.9822 8.3573 116.0983 61.5227 32.2172 175.5235 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 5 P 0.00 4.34 0.00 2.21 2.13 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 1.91 2.01 0.00 6 D 8.65 4.88 0.00 2.72 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 7 E 8.98 4.79 0.00 2.09 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 2.10 2.29 0.00 8 S 8.21 5.51 0.00 3.83 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 9 F 9.53 5.27 0.00 2.91 2.96 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 0.00 0.00 0.00 10 L 9.22 5.03 0.00 1.62 1.15 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 C 9.36 5.28 0.00 3.13 3.35 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 12 Y 9.17 4.83 0.00 3.07 3.14 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 0.00 0.00 0.00 0.00 13 Q 9.04 4.96 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 14 P 0.00 4.62 0.00 2.10 2.18 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 15 D 8.13 5.08 0.00 2.82 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 16 Q 7.61 4.36 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 17 V 8.18 4.58 1.74 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 0.77 0.00 0.00 0.57 0.00 0.00 18 C 9.00 5.59 0.00 3.07 2.88 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 0.00 0.00 0.00 19 A 9.32 4.97 0.75 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 0.00 0.00 20 F 9.44 5.04 0.00 2.89 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 21 I 8.64 5.07 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.86 0.00 0.00 22 C 9.99 5.83 0.00 3.03 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 23 R 9.56 4.79 0.00 1.40 1.64 0.00 2.21 0.00 0.00 2.73 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 24 G 9.22 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.74 4.54 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 26 A 8.04 4.41 0.98 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 27 P 0.00 3.71 0.00 1.43 0.72 0.00 2.21 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.06 0.00 28 L 8.99 4.28 0.00 1.65 1.54 0.66 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.23 0.00 2.16 2.09 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 30 S 7.97 4.33 0.00 3.99 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 31 E 8.23 4.29 0.00 1.80 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 2.47 1.77 0.00 32 G 7.58 3.81 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 0.00 0.00 0.00 33 E 8.50 4.35 0.00 2.23 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 0.00 2.40 2.51 0.00 34 C 8.63 5.34 0.00 2.83 3.06 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 0.00 0.00 0.00 0.00 35 N 9.65 5.31 0.00 2.84 2.84 0.00 0.00 6.57 8.21 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 36 P 0.00 4.28 0.00 1.85 1.74 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 37 H 8.43 4.66 0.00 3.35 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.26 0.00 1.98 1.90 0.00 3.30 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 39 T 8.18 3.78 4.12 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 1.09 0.00 0.00 40 A 7.80 4.41 1.02 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 41 P 0.00 4.12 0.00 2.22 2.14 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 42 W 8.18 4.21 0.00 3.55 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.38 3.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.67 3.74 0.00 1.82 2.02 0.00 3.01 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 45 E 8.27 4.18 0.00 2.09 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 0.00 2.49 2.47 0.00 46 G 7.97 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 47 A 7.88 4.37 1.03 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 48 V 7.61 3.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.86 0.00 0.00 49 E 7.60 4.44 0.00 1.96 1.78 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 2.33 2.28 0.00 50 W 8.78 4.69 0.00 3.22 3.08 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 51 V 9.05 4.73 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 0.95 0.00 0.00 1.18 0.00 0.00 52 P 0.00 4.86 0.00 1.98 2.04 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 53 Y 9.25 4.47 0.00 3.25 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.02 3.57 0.00 4.01 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 55 T 8.66 4.70 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 1.21 0.00 0.00 56 G 8.16 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 0.00 0.00 0.00 0.00 57 Q 9.75 5.55 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 58 C 9.40 5.85 0.00 2.74 3.04 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 59 R 8.52 4.95 0.00 1.31 1.40 0.00 2.53 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 60 T 7.82 5.00 3.16 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 0.96 0.00 0.00 61 T 7.74 4.60 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 1.29 0.00 0.00 62 C 8.79 5.76 0.00 2.77 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.09 4.62 1.30 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.37 0.30 0.00 0.00 64 P 0.00 4.66 0.00 2.02 2.01 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 65 Y 7.58 4.17 0.00 2.74 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.36 3.98 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 0.86 0.00 0.00