NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0488 8.3149 119.9880 55.4221 33.9077 174.8759 7 P 3.2146 0.0000 0.0000 61.1112 31.1894 173.2529 8 C 4.8505 8.2694 115.9652 55.6755 44.6507 173.8222 9 C 4.8771 10.0776 117.0301 56.9165 45.2993 172.5946 10 D 4.2333 8.7803 130.4085 56.2409 40.4160 176.8788 11 Q 4.0973 7.0463 121.9075 56.9493 30.3693 175.3147 12 C 5.4200 8.7867 123.6494 54.5568 43.3402 172.6989 13 A 4.9858 9.6043 128.0703 50.3976 21.5346 174.4008 14 C 5.7208 8.8435 118.1198 54.0604 44.4008 174.3003 15 T 4.2070 8.5722 112.2383 61.1143 69.5779 174.0972 16 K 4.4661 8.2518 121.0621 56.3495 32.4712 176.8853 17 S 4.5573 7.7417 112.3641 57.0840 65.0254 173.5764 18 N 4.6592 8.3612 120.3814 51.3632 38.1835 172.4634 19 P 4.7283 0.0000 0.0000 60.6112 33.2748 173.8790 20 P 4.6136 0.0000 0.0000 62.4813 33.0818 175.4800 21 Q 4.7188 8.6286 120.8754 55.4483 29.8043 173.5159 22 C 5.3044 10.3068 122.8680 55.3585 40.9699 173.3975 23 R 4.9433 9.1595 118.4865 54.6198 33.1894 172.7947 24 C 5.1148 8.6237 120.0148 54.9375 45.0974 173.2977 25 S 4.3673 8.4750 122.0980 58.3473 63.3133 174.0544 26 D 4.3498 7.5793 120.3043 54.2871 41.3075 175.3345 27 M 4.8395 8.3697 122.9359 54.0208 33.3893 175.7891 28 R 4.4645 8.7110 123.5708 55.0906 32.6980 175.6982 29 L 4.9494 8.2754 119.9512 54.2337 43.4433 177.1227 30 N 4.2656 8.5875 123.0936 54.3256 38.1688 173.9350 31 S 4.5078 7.3243 109.1572 56.9727 65.3824 173.1106 32 C 4.9450 8.2572 115.6625 55.7380 42.0619 173.0523 33 H 4.1816 8.0225 119.4247 55.1903 29.4810 174.8661 34 S 4.4638 8.4890 116.8889 58.7358 63.1054 174.9554 35 A 4.7232 7.7177 121.8768 50.4977 19.0248 176.7753 36 C 5.0037 7.9807 119.4715 56.1454 47.0326 173.3385 37 K 4.1749 10.7800 125.4780 57.4817 32.9599 176.8977 38 S 4.6713 7.9228 114.1748 56.4377 63.4122 170.4546 39 C 5.0838 8.3823 121.5366 55.1637 46.1271 172.1595 40 I 4.7103 8.5219 127.2056 59.7514 39.6366 174.2188 41 C 5.6456 8.7212 122.4316 54.9199 44.1562 173.4159 42 A 4.3989 8.4722 122.2946 51.2030 19.4356 177.2552 43 L 4.4327 8.2911 118.1008 54.7006 41.8464 177.1714 44 S 4.5697 7.6808 114.4920 56.9729 65.0085 172.4214 45 Y 3.9110 8.1842 120.5230 54.9951 39.7162 172.4422 46 P 3.5869 0.0000 0.0000 60.7203 32.9722 175.7171 47 A 4.0277 7.7188 122.7012 52.6644 19.8193 175.9798 48 Q 4.8558 8.5851 118.9151 54.3097 31.8878 175.4862 49 C 6.2351 9.4723 120.5496 54.2887 40.9152 172.7738 50 F 5.1573 8.4869 121.8007 56.8570 42.8473 173.8864 51 C 4.8486 8.7570 126.2724 55.4857 43.6005 172.9001 52 V 4.7259 8.5825 119.1601 61.6339 31.6608 176.8154 53 D 4.4953 8.2331 120.9143 54.6739 41.2835 175.7161 54 I 4.5450 8.0731 123.2346 60.1671 38.8267 175.3766 55 T 4.6318 8.5792 113.7217 59.9512 71.5512 174.9869 56 D 5.5826 9.0557 120.6838 51.8736 38.7229 175.8198 57 F 4.6188 5.5756 115.8638 58.3195 40.7135 171.1669 58 C 4.5003 8.2218 115.9893 55.3015 43.8290 172.8012 59 Y 4.6671 8.5529 119.9678 58.0877 39.4459 175.8660 60 E 4.5597 8.7318 117.6789 55.0058 31.8692 171.3563 61 P 4.4178 0.0000 0.0000 63.2485 32.1831 177.6117 62 C 4.8353 8.5393 120.4284 58.4865 40.4582 175.4807 63 K 4.2560 8.7933 127.9920 56.0841 31.1401 173.5586 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 6 K 8.31 4.05 0.00 1.73 1.77 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.37 7.81 7 P 0.00 3.21 0.00 1.26 0.83 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 8 C 8.27 4.85 0.00 3.47 3.02 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 9 C 10.08 4.88 0.00 3.02 3.33 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 10 D 8.78 4.23 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.05 4.10 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 12 C 8.79 5.42 0.00 2.90 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 13 A 9.60 4.99 1.20 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 0.00 0.00 14 C 8.84 5.72 0.00 2.79 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 T 8.57 4.21 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 16 K 8.25 4.47 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 S 7.74 4.56 0.00 3.97 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 18 N 8.36 4.66 0.00 2.68 2.78 0.00 0.00 7.00 7.69 0.00 0.00 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 P 0.00 4.73 0.00 2.24 2.06 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 20 P 0.00 4.61 0.00 2.13 2.34 0.00 3.70 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 2.08 1.97 0.00 21 Q 8.63 4.72 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 22 C 10.31 5.30 0.00 2.98 2.90 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 23 R 9.16 4.94 0.00 1.85 2.08 0.00 2.91 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 24 C 8.62 5.11 0.00 2.95 2.83 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 25 S 8.48 4.37 0.00 3.74 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 26 D 7.58 4.35 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.37 4.84 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 28 R 8.71 4.46 0.00 1.69 1.78 0.00 2.90 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 29 L 8.28 4.95 0.00 1.48 1.52 0.90 1.05 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 30 N 8.59 4.27 0.00 2.87 2.89 0.00 0.00 6.69 8.70 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 31 S 7.32 4.51 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 32 C 8.26 4.95 0.00 2.90 2.91 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 33 H 8.02 4.18 0.00 3.13 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.49 4.46 0.00 3.85 3.87 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 35 A 7.72 4.72 1.11 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 0.00 0.00 0.00 0.00 0.00 36 C 7.98 5.00 0.00 2.89 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 37 K 10.78 4.17 0.00 2.15 1.86 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 38 S 7.92 4.67 0.00 3.91 3.77 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 39 C 8.38 5.08 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.71 1.83 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 1.19 0.44 0.86 0.00 0.00 41 C 8.72 5.65 0.00 2.78 2.91 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 42 A 8.47 4.40 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 43 L 8.29 4.43 0.00 1.62 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.68 4.57 0.00 3.97 3.88 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 45 Y 8.18 3.91 0.00 3.03 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 46 P 0.00 3.59 0.00 2.02 1.77 0.00 3.85 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 1.91 1.98 0.00 47 A 7.72 4.03 1.14 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 0.00 0.00 48 Q 8.59 4.86 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 49 C 9.47 6.24 0.00 2.91 3.02 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 50 F 8.49 5.16 0.00 3.02 2.59 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 51 C 8.76 4.85 0.00 3.00 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 52 V 8.58 4.73 2.10 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 0.29 0.00 0.00 0.95 0.00 0.00 53 D 8.23 4.50 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 4.54 1.86 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 1.48 0.55 0.89 0.00 0.00 55 T 8.58 4.63 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 1.07 0.00 0.00 56 D 9.06 5.58 0.00 2.91 2.86 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 57 F 5.58 4.62 0.00 2.99 3.09 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 0.00 0.00 0.00 0.00 58 C 8.22 4.50 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 4.67 0.00 3.02 3.02 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 60 E 8.73 4.56 0.00 1.66 1.82 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 2.28 1.90 0.00 61 P 0.00 4.42 0.00 1.93 2.25 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 62 C 8.54 4.84 0.00 2.90 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 63 K 8.79 4.26 0.00 1.96 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 0.99 7.81