NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1305 8.0393 120.2947 60.7373 32.6498 176.9586 2 N 4.7600 6.8200 117.7270 52.7664 38.6249 173.1478 3 Y 4.1452 8.1197 119.7590 57.5462 40.3008 175.6217 4 G 3.6035 9.7910 115.7421 46.0755 0.0000 170.9940 5 N 3.9967 8.5350 126.3757 53.1428 35.8363 172.2088 6 G 3.5471 7.9713 108.1102 45.7168 0.0000 169.3503 7 V 4.0374 7.6746 115.8994 61.4824 31.9978 176.6824 8 S 5.0255 7.9288 117.8540 57.9158 63.5550 178.6972 9 C 4.8392 7.7922 123.5229 55.7931 44.4786 172.3235 10 S 4.7097 7.9078 116.7403 57.0892 64.9448 171.9705 11 K 3.9576 8.6737 127.3265 57.5651 31.5192 177.4788 12 T 3.3306 8.3266 121.2670 62.4477 67.6984 171.1956 13 K 4.1571 8.2330 122.4000 56.2182 32.9343 176.1707 14 C 4.7218 8.3806 122.3151 54.9089 44.5295 173.7476 15 S 4.3041 8.2964 124.7595 58.1059 64.6029 171.2304 16 V 3.4566 8.5673 122.5021 63.8633 28.3675 171.1941 17 N 5.1752 8.2954 125.5045 51.7583 39.8907 176.6524 18 W 4.3925 9.0353 130.8022 60.8111 30.2849 176.6519 19 G 4.1342 8.5318 105.0200 48.6779 0.0000 175.4339 20 Q 4.0369 8.1983 120.1977 58.4569 28.7062 178.1279 21 A 3.8635 7.9439 121.7183 54.6521 18.4587 178.9066 22 F 3.8050 8.9427 118.6611 61.2901 39.6012 177.6041 23 Q 3.8578 8.0070 119.0322 58.6447 28.4652 177.3333 24 E 3.8689 8.2097 120.3476 58.4583 29.4692 178.5997 25 R 3.6890 7.9777 119.7368 59.2342 30.1836 177.8252 26 Y 3.9744 7.5327 117.2545 60.5419 37.6324 177.9893 27 T 3.2804 5.8683 117.7800 65.4896 68.4286 176.2076 28 A 4.0990 7.2509 122.3461 55.3557 18.3062 180.0402 29 G 3.5733 7.7333 104.1209 47.7961 0.0000 176.1563 30 I 3.8039 8.3830 122.1259 64.1682 37.4425 177.6538 31 N 4.5018 9.3978 118.6218 56.5657 38.6582 176.6619 32 S 4.0377 7.9482 114.1723 61.6008 62.4977 175.6896 33 F 4.0242 8.0261 123.2870 61.9482 38.8530 177.1269 34 V 3.0442 8.0026 117.6287 65.4114 31.1582 177.7422 35 S 4.1914 8.0251 114.6330 61.8288 63.1091 176.7156 36 G 3.7906 8.2050 107.9955 48.1140 0.0000 175.8168 37 V 3.5581 7.6080 120.5586 64.6993 31.1603 177.6511 38 A 4.0401 8.1064 120.1686 54.5735 18.3373 179.1544 39 S 4.2319 7.7032 111.6849 61.3260 62.6319 176.3569 40 G 3.5926 7.9851 107.5722 47.3723 0.0000 174.9348 41 A 3.8946 7.8285 121.0849 52.0774 16.7405 178.5763 42 G 4.1178 7.5495 104.7881 46.5893 0.0000 174.0469 43 S 4.5692 8.1984 112.0635 57.8941 62.6980 172.2378 44 I 3.1482 8.7598 121.5663 60.3944 32.7683 174.5837 45 G 4.1027 7.7792 115.4684 42.9949 0.0000 172.2368 46 R 4.3831 7.7866 116.9844 55.4258 29.8149 173.9280 47 R 4.7175 8.0583 121.5468 53.5844 34.4075 173.9135 48 P 4.4273 0.0000 0.0000 63.1014 31.2657 176.5235 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 1 V 8.04 4.13 2.11 0.00 0.00 0.00 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 0.98 0.00 0.00 2 N 6.82 4.76 0.00 2.86 2.79 0.00 0.00 6.34 6.58 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 3 Y 8.12 4.15 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.79 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 5 N 8.54 4.00 0.00 2.89 2.96 0.00 0.00 7.38 7.99 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 6 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 4.04 2.31 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 1.06 0.00 0.00 1.00 0.00 0.00 8 S 7.93 5.03 0.00 3.92 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 9 C 7.79 4.84 0.00 2.83 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 10 S 7.91 4.71 0.00 4.02 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 11 K 8.67 3.96 0.00 1.95 1.95 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.39 7.81 12 T 8.33 3.33 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 13 K 8.23 4.16 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.46 7.81 14 C 8.38 4.72 0.00 2.88 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 15 S 8.30 4.30 0.00 3.92 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 16 V 8.57 3.46 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 0.63 0.00 0.00 0.90 0.00 0.00 17 N 8.30 5.18 0.00 2.83 2.80 0.00 0.00 6.63 7.70 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 18 W 9.04 4.39 0.00 3.37 3.20 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 19 G 8.53 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 20 Q 8.20 4.04 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 21 A 7.94 3.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.94 3.80 0.00 3.18 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 23 Q 8.01 3.86 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 24 E 8.21 3.87 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 25 R 7.98 3.69 0.00 1.93 1.65 0.00 2.98 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 Y 7.53 3.97 0.00 2.88 2.40 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 27 T 5.87 3.28 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 1.02 0.00 0.00 28 A 7.25 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.80 1.98 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 1.70 1.09 0.92 0.00 0.00 31 N 9.40 4.50 0.00 2.79 2.81 0.00 0.00 6.87 7.65 0.00 0.00 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 S 7.95 4.04 0.00 4.14 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 33 F 8.03 4.02 0.00 3.10 3.26 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 34 V 8.00 3.04 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 1.05 0.00 0.00 1.33 0.00 0.00 35 S 8.03 4.19 0.00 3.84 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 36 G 8.20 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.56 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.51 0.00 0.00 38 A 8.11 4.04 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 39 S 7.70 4.23 0.00 3.85 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 40 G 7.99 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 41 A 7.83 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 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 0.00 0.00 0.00 0.00 43 S 8.20 4.57 0.00 3.81 3.83 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 44 I 8.76 3.15 1.88 0.00 0.00 0.87 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 0.53 0.92 0.00 0.00 45 G 7.78 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.79 4.38 0.00 1.90 1.94 0.00 2.98 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 47 R 8.06 4.72 0.00 1.74 1.81 0.00 3.28 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 48 P 0.00 4.43 0.00 2.04 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00