NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5197 8.3049 120.3323 55.0285 33.4537 174.8263 2 K 4.1958 8.5039 121.7304 55.2379 33.4300 175.3154 3 K 4.6367 9.1616 122.9254 56.5395 34.6708 175.1737 4 Y 4.9416 9.1005 120.5118 56.4082 41.7699 174.4153 5 T 5.0917 9.0704 117.0986 60.2659 70.7139 172.5598 6 C 3.5213 8.9577 129.8725 58.9983 31.8520 174.2513 7 T 3.8548 8.7242 117.9526 64.1355 68.5053 176.3625 8 V 3.7673 7.7933 122.0272 65.1736 31.7389 175.9599 9 C 4.6778 7.7410 109.4439 56.9140 30.7509 174.6683 10 G 3.9158 8.5127 109.3111 45.0957 0.0000 173.2532 11 Y 4.2262 7.8618 121.3806 58.3515 39.9134 174.7610 12 I 4.8260 7.5857 126.5927 59.6378 39.2128 174.4455 13 Y 4.3106 9.5093 130.0056 57.1356 40.0237 173.4841 14 N 4.7049 7.9230 126.1055 51.1271 40.4838 173.4224 15 P 4.2390 0.0000 0.0000 65.5938 31.7343 178.3764 16 E 4.1820 8.0040 117.6027 58.3930 29.8524 176.9056 17 D 4.5166 7.9569 117.1401 53.6589 42.4155 177.9995 18 G 4.0735 7.7909 107.3284 45.4708 0.0000 173.4301 19 D 4.9654 8.6319 111.6369 52.1690 41.8853 174.9822 20 P 4.4427 0.0000 0.0000 65.3849 32.0276 178.5434 21 D 4.5876 8.1947 115.8600 56.1214 40.9576 176.4531 22 N 4.9003 8.3131 115.7460 52.9849 39.0375 175.3241 23 G 3.7969 8.3729 105.2298 45.5858 0.0000 174.3018 24 V 4.0796 7.7403 120.2945 60.5798 31.3410 175.1739 25 N 4.8117 8.3431 124.9944 52.0078 39.2375 173.1861 26 P 4.1453 0.0000 0.0000 64.8037 31.7332 177.0110 27 G 3.9068 9.2746 110.6994 45.6141 0.0000 173.1839 28 T 4.2596 7.2761 116.4214 62.0194 69.2767 174.4600 29 D 4.5580 8.5209 126.4024 53.8097 42.3784 176.3904 30 F 3.3997 9.1596 128.0346 61.0424 39.2637 177.3422 31 K 3.9102 8.0805 118.0253 58.9662 32.3993 177.1636 32 D 4.5646 7.5865 117.8563 53.9143 41.3739 176.7594 33 I 3.4026 6.7349 121.7367 59.9440 37.5610 174.2418 34 P 4.1725 0.0000 0.0000 63.2809 31.2566 176.7384 35 D 4.4930 8.6234 120.3920 55.8142 40.7663 176.3850 36 D 4.6970 7.7654 117.8053 52.6777 40.2291 176.5656 37 W 4.2331 8.0808 130.7133 57.5811 31.2118 175.2556 38 V 4.2050 6.8411 116.1520 58.6734 35.0098 175.0416 39 C 3.5677 8.6254 122.4376 58.9135 31.5058 173.0622 40 P 4.0984 0.0000 0.0000 64.6756 31.3276 177.1562 41 L 4.2902 7.5296 118.4419 56.0779 42.2856 176.8279 42 C 4.5997 7.7866 108.9234 57.0705 30.6930 174.7062 43 G 3.7580 8.3459 108.6992 45.2920 0.0000 173.8211 44 A 4.0456 7.5913 123.3406 51.7164 19.1828 178.1245 45 G 4.1725 8.4787 111.0743 44.6409 0.0000 174.6611 46 K 4.3261 8.7257 118.0519 59.2760 32.0780 179.3786 47 D 4.5993 8.3226 117.2345 55.8885 39.5045 176.8847 48 Q 4.4643 8.6281 118.1472 55.9871 29.0387 174.6967 49 F 5.3330 8.3856 117.3874 56.2199 41.0110 175.2488 50 E 4.8687 9.1692 120.7370 54.1890 33.7395 174.8920 51 E 3.2950 8.6018 124.2624 55.9856 30.5684 176.2598 52 V 4.0144 8.0688 126.6825 60.5843 32.7298 175.8604 53 E 4.0565 8.7414 124.2472 56.7426 29.6001 174.6507 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 M 8.30 4.52 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.78 0.00 2 K 8.50 4.20 0.00 1.95 1.63 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 K 9.16 4.64 0.00 1.73 1.71 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 4 Y 9.10 4.94 0.00 2.76 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 5 T 9.07 5.09 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 1.26 0.00 0.00 6 C 8.96 3.52 0.00 2.34 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.85 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 1.23 0.00 0.00 8 V 7.79 3.77 2.02 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 0.81 0.00 0.00 0.90 0.00 0.00 9 C 7.74 4.68 0.00 3.07 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 10 G 8.51 3.92 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 0.00 0.00 0.00 11 Y 7.86 4.23 0.00 3.17 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 12 I 7.59 4.83 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.84 0.00 0.00 13 Y 9.51 4.31 0.00 3.58 3.17 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 0.00 0.00 0.00 14 N 7.92 4.70 0.00 2.65 2.52 0.00 0.00 7.16 7.71 0.00 0.00 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 P 0.00 4.24 0.00 2.22 2.31 0.00 3.57 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 2.28 2.30 0.00 16 E 8.00 4.18 0.00 1.85 1.92 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 2.26 2.37 0.00 17 D 7.96 4.52 0.00 2.71 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 18 G 7.79 4.07 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 0.00 19 D 8.63 4.97 0.00 3.19 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 20 P 0.00 4.44 0.00 2.26 2.12 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 21 D 8.19 4.59 0.00 2.73 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 22 N 8.31 4.90 0.00 3.13 2.94 0.00 0.00 7.04 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 23 G 8.37 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.08 2.24 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 0.85 0.00 0.00 0.47 0.00 0.00 25 N 8.34 4.81 0.00 2.86 2.72 0.00 0.00 7.03 8.03 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 26 P 0.00 4.15 0.00 2.03 2.17 0.00 3.69 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 2.04 2.32 0.00 27 G 9.27 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 28 T 7.28 4.26 4.27 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 1.06 0.00 0.00 29 D 8.52 4.56 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 30 F 9.16 3.40 0.00 2.77 2.46 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 0.00 31 K 8.08 3.91 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.36 7.81 32 D 7.59 4.56 0.00 2.70 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 33 I 6.73 3.40 1.00 0.00 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.08 -0.02 0.00 0.00 34 P 0.00 4.17 0.00 2.37 2.13 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 35 D 8.62 4.49 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.70 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.08 4.23 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 6.84 4.21 1.93 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 0.68 0.00 0.00 0.65 0.00 0.00 39 C 8.63 3.57 0.00 3.12 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 40 P 0.00 4.10 0.00 2.06 2.00 0.00 2.72 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.70 0.00 41 L 7.53 4.29 0.00 1.62 1.74 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.79 4.60 0.00 2.99 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 43 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 4.05 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 45 G 8.48 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.73 4.33 0.00 1.85 1.89 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.49 7.81 47 D 8.32 4.60 0.00 2.87 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 48 Q 8.63 4.46 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 49 F 8.39 5.33 0.00 3.29 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 50 E 9.17 4.87 0.00 1.79 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 0.00 2.24 2.37 0.00 51 E 8.60 3.29 0.00 1.35 1.55 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 1.95 1.59 0.00 52 V 8.07 4.01 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 0.72 0.00 0.00 0.87 0.00 0.00 53 E 8.74 4.06 0.00 2.02 1.89 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 2.19 2.30 0.00