NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8282 8.3549 109.7359 45.3877 0.0000 173.1364 2 K 4.2130 8.2321 118.5119 52.3143 32.7674 175.1210 3 K 4.2381 8.2681 123.7500 56.3335 34.6809 176.7500 4 S 4.6834 8.0554 115.1460 56.5046 66.5345 174.9703 5 K 3.8633 8.3807 121.1475 59.5233 31.8627 178.1590 6 A 3.9643 7.9575 120.4367 55.5989 18.2971 179.4170 7 T 3.7925 7.7099 113.6730 66.6849 68.4825 176.5226 8 K 3.8450 8.1841 121.4361 59.5090 32.1830 178.5972 9 K 3.8801 7.9991 118.5488 59.6836 31.9479 179.3238 10 R 3.9048 7.9453 117.8675 59.3452 30.0729 178.8826 11 L 3.9436 8.1232 118.6003 57.9156 41.6512 179.3614 12 A 3.9973 8.3126 120.8051 55.2103 18.2843 179.6001 13 K 3.8819 8.0009 117.8579 59.7692 32.0924 179.0316 14 L 4.1566 7.9869 118.1975 57.7610 41.6231 178.7051 15 D 4.4803 8.1714 118.1840 57.0032 41.0110 177.8508 16 N 4.3567 8.1418 117.8763 56.6206 38.8484 176.6373 17 Q 4.2215 8.3980 117.8227 57.5510 28.7357 176.7134 18 N 4.8107 7.4589 118.0790 52.7705 39.2338 174.4119 19 S 4.5577 7.2428 114.2833 56.8238 64.8302 173.2294 20 R 4.3261 7.9747 120.6084 54.4485 31.1645 175.6872 21 V 3.5895 8.0533 121.6709 61.7069 31.9021 174.0193 22 P 4.2274 0.0000 0.0000 63.0989 31.7015 176.5977 23 A 3.9320 8.9899 123.3859 55.4560 18.1328 179.9964 24 W 4.2745 8.4437 114.4230 60.0541 27.9649 178.4156 25 V 2.8800 6.6547 118.4898 65.3223 30.7170 178.0782 26 M 3.9746 7.9900 119.1950 58.3141 31.6876 178.6342 27 L 4.0207 7.8064 118.6713 57.7045 41.7044 179.3517 28 K 4.1075 8.4503 118.9752 58.5141 32.2262 177.8445 29 T 4.4114 7.3825 106.8827 60.3096 69.3972 173.7204 30 D 4.3077 8.3927 120.0714 55.3279 39.2070 170.4355 31 E 3.7588 7.9573 122.8744 55.7603 30.1398 174.6204 *35 R 3.8275 8.3038 120.0172 56.0357 31.1246 174.5524 36 N 4.6450 8.4323 121.6030 52.1712 39.1003 173.9619 37 H 4.5009 8.5770 122.5980 57.0302 29.1743 176.3195 38 K 4.5541 8.1185 118.6037 55.9249 32.1904 176.5812 39 R 4.0071 7.9017 118.5464 56.3602 30.4000 176.2306 40 R 4.4844 8.3011 121.6726 54.7635 32.7461 173.8722 41 H 4.7395 8.6090 125.0859 54.7015 31.0793 175.8743 42 W 4.1870 8.2091 122.1475 59.3075 28.5025 177.6163 43 R 3.7511 6.1396 117.9338 58.6406 29.6639 177.6760 44 R 3.9205 7.7330 114.7947 58.1175 30.2614 176.1211 45 N 4.9655 7.5224 113.7270 51.2630 41.1550 173.2246 46 D 4.7600 8.1972 117.7081 52.7953 44.0260 175.0953 47 T 4.3616 8.3060 116.1677 60.4530 70.6281 173.3382 48 D 4.6075 8.1651 121.8219 53.9364 42.4575 176.8147 49 E 4.1445 8.6633 118.4304 57.0979 28.9046 174.8616 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 G 8.35 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 0.00 0.00 0.00 2 K 8.23 4.21 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.27 4.24 0.00 1.86 1.81 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 S 8.06 4.68 0.00 4.06 4.04 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 5 K 8.38 3.86 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.96 3.96 1.32 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 0.00 0.00 7 T 7.71 3.79 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 1.25 0.00 0.00 8 K 8.18 3.85 0.00 1.91 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 8.00 3.88 0.00 2.08 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.73 7.81 10 R 7.95 3.90 0.00 2.05 1.99 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 11 L 8.12 3.94 0.00 1.84 1.74 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.31 4.00 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 13 K 8.00 3.88 0.00 1.86 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 L 7.99 4.16 0.00 1.86 1.74 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.17 4.48 0.00 2.82 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 16 N 8.14 4.36 0.00 2.86 2.96 0.00 0.00 7.15 6.87 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 17 Q 8.40 4.22 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 18 N 7.46 4.81 0.00 2.94 2.90 0.00 0.00 7.11 8.74 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 19 S 7.24 4.56 0.00 3.99 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 20 R 7.97 4.33 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 21 V 8.05 3.59 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 0.68 0.00 0.00 0.88 0.00 0.00 22 P 0.00 4.23 0.00 2.07 2.31 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.99 0.00 23 A 8.99 3.93 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 24 W 8.44 4.27 0.00 3.62 3.36 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 25 V 6.65 2.88 1.65 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 0.66 0.00 0.00 -0.78 0.00 0.00 26 M 7.99 3.97 0.00 2.01 2.16 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 2.57 2.68 0.00 27 L 7.81 4.02 0.00 1.93 1.77 0.99 0.70 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 28 K 8.45 4.11 0.00 2.04 1.92 0.00 2.22 0.00 0.00 2.10 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.56 7.81 29 T 7.38 4.41 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 1.22 0.00 0.00 30 D 8.39 4.31 0.00 2.79 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 31 E 7.96 3.76 0.00 2.13 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 0.00 2.21 2.25 0.00 *35 R 8.30 3.83 0.00 1.73 1.64 0.00 3.21 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.43 4.65 0.00 2.60 2.68 0.00 0.00 7.24 7.89 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 37 H 8.58 4.50 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 4.55 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 R 7.90 4.01 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 40 R 8.30 4.48 0.00 1.72 1.78 0.00 3.26 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.61 4.74 0.00 3.17 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.21 4.19 0.00 3.51 3.12 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 43 R 6.14 3.75 0.00 0.67 1.24 0.00 2.48 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.00 44 R 7.73 3.92 0.00 1.76 1.91 0.00 3.31 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 1.47 1.48 0.00 45 N 7.52 4.97 0.00 2.91 2.74 0.00 0.00 6.69 9.28 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 46 D 8.20 4.76 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.36 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 1.25 0.00 0.00 48 D 8.17 4.61 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.14 0.00 2.12 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.