NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2848 8.2649 123.5870 52.3796 18.9072 175.2862 3 R 4.0031 8.6684 119.9699 55.1280 29.3694 178.7060 4 K 4.3734 8.1460 122.0867 58.6440 34.1637 177.2788 5 A 3.5605 7.8432 119.7242 54.5481 18.5302 177.9175 6 L 4.6427 8.2835 114.4755 55.3588 43.2558 178.1493 7 I 4.0806 8.4251 119.1859 62.1790 37.2926 176.9775 8 E 4.1253 8.1155 118.9033 57.5122 29.3618 178.2208 9 K 3.7768 7.9711 121.6831 59.5437 31.8615 177.3686 10 A 3.9893 7.3678 117.9692 53.0569 17.9570 178.2892 11 K 4.1952 8.1135 120.4780 56.5151 29.9433 177.3163 12 R 4.0021 8.3478 124.1583 58.2011 30.3720 177.4762 13 T 4.4013 7.0661 107.5683 59.3798 67.5332 172.1944 14 P 4.3777 0.0000 0.0000 64.3581 32.4758 176.6809 15 K 4.0050 9.5939 116.4246 56.3186 29.4557 176.7098 16 F 4.8734 7.4660 115.2654 55.8332 42.5314 174.9773 17 K 4.1971 8.8904 125.7287 58.4871 32.4861 179.1525 18 V 3.6959 7.6106 110.8096 65.2655 31.4680 178.0005 19 R 4.0814 8.2392 116.3117 58.5624 30.1397 177.2198 20 A 4.1807 7.3531 120.6774 52.3246 18.8710 176.3720 21 Y 4.9192 7.6044 118.7213 55.4129 40.9818 174.6915 22 T 4.0123 8.6399 117.7721 62.0843 68.0788 173.3371 23 R 4.8326 8.1720 127.4085 53.9977 33.3824 174.0857 24 C 4.4858 8.4372 122.5757 59.3657 31.9143 175.0159 25 V 3.8118 8.8088 126.8879 63.2840 31.5048 176.7596 26 R 4.4995 7.9334 119.0037 56.6500 31.3127 175.8234 27 C 4.6674 7.9125 107.6464 57.2202 31.6709 174.7951 28 G 3.8442 8.1118 108.8146 44.7745 0.0000 172.8167 29 R 3.8113 8.0066 119.8855 56.5181 29.9164 176.5507 30 A 4.0842 8.7227 129.2374 54.9549 17.3483 177.8730 31 R 4.3627 7.8338 113.7683 55.7047 31.7296 175.6183 32 S 3.7506 8.4118 110.2375 59.4103 60.8231 172.5370 33 V 4.4646 7.1306 111.3596 59.6100 31.2839 176.0270 34 Y 4.2452 8.8314 123.8208 57.9072 38.6904 177.6647 35 R 3.9649 8.8518 124.2705 59.4646 30.4842 178.7289 36 F 3.9188 8.3622 118.5696 60.4918 39.4975 175.6697 37 F 4.8429 8.3714 116.4578 56.1552 41.2045 177.1967 38 G 4.0800 8.5318 107.7029 45.6756 0.0000 173.5161 39 L 4.7243 7.6961 119.9414 53.8659 43.2605 175.5607 40 C 5.1114 8.1090 115.6315 56.8051 32.7694 174.7097 41 R 3.3423 8.4607 118.6347 59.4334 28.5855 179.2640 42 I 3.7657 7.5959 119.9421 64.3940 37.4368 177.6549 43 C 4.2826 7.9135 118.2788 62.2306 28.1358 175.5689 44 L 3.6005 8.4853 122.5274 58.1651 41.2217 179.0973 45 R 3.7147 7.1689 116.9625 59.4400 29.8581 177.9705 46 E 4.1252 8.1928 118.2526 59.6213 29.5318 179.3821 47 L 3.9713 7.9995 118.4932 57.8254 41.1902 179.4080 48 A 3.9391 7.7261 120.1311 55.6715 17.9884 179.4616 49 H 4.2672 7.6951 113.2585 58.7199 28.8254 177.8192 50 K 4.1800 7.8346 119.5867 57.5679 31.8988 178.2431 51 G 4.0093 7.9017 106.6092 45.2326 0.0000 174.7770 52 Q 4.1763 7.8217 116.8086 56.9389 28.7484 175.7895 53 L 4.6052 7.2470 117.9333 51.9890 42.4231 174.5234 54 P 4.1121 0.0000 0.0000 64.1501 31.6749 177.7729 55 G 4.1701 8.9862 114.9541 46.0644 0.0000 174.3055 56 V 3.5172 7.8468 118.9169 63.5724 31.6436 174.8756 57 R 4.5850 8.1732 125.2815 54.5257 33.4051 174.4856 58 K 4.2302 8.3903 118.8443 54.6964 30.9503 176.3078 59 A 4.2596 8.3714 127.3495 51.8781 18.8798 176.9392 60 S 4.7168 8.7658 117.5617 56.4886 65.4250 173.6196 61 W 4.8562 8.3183 123.7318 56.8647 27.9372 174.5594 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 2 A 8.26 4.28 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 3 R 8.67 4.00 0.00 1.98 1.91 0.00 3.15 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 4 K 8.15 4.37 0.00 1.88 2.04 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.48 7.81 5 A 7.84 3.56 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 6 L 8.28 4.64 0.00 1.70 1.79 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.43 4.08 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.50 0.92 0.00 0.00 8 E 8.12 4.13 0.00 2.23 2.21 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 2.54 2.43 0.00 9 K 7.97 3.78 0.00 1.53 1.72 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.81 0.76 7.81 10 A 7.37 3.99 1.26 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 11 K 8.11 4.20 0.00 1.95 1.71 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 R 8.35 4.00 0.00 1.81 1.98 0.00 3.37 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 13 T 7.07 4.40 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 14 P 0.00 4.38 0.00 2.38 2.22 0.00 3.69 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 2.03 1.99 0.00 15 K 9.59 4.00 0.00 1.63 1.13 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.86 1.18 7.81 16 F 7.47 4.87 0.00 3.08 2.87 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 17 K 8.89 4.20 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 18 V 7.61 3.70 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 0.74 0.00 0.00 0.96 0.00 0.00 19 R 8.24 4.08 0.00 1.95 2.16 0.00 3.67 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 20 A 7.35 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 4.92 0.00 3.05 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 22 T 8.64 4.01 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 23 R 8.17 4.83 0.00 1.78 1.77 0.00 3.34 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 24 C 8.44 4.49 0.00 3.24 3.01 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 0.00 0.00 0.00 25 V 8.81 3.81 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 0.80 0.00 0.00 0.95 0.00 0.00 26 R 7.93 4.50 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 27 C 7.91 4.67 0.00 3.07 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 28 G 8.11 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 0.00 0.00 0.00 29 R 8.01 3.81 0.00 1.93 1.94 0.00 3.27 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 30 A 8.72 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 4.36 0.00 1.91 1.88 0.00 3.28 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 32 S 8.41 3.75 0.00 4.04 3.95 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 33 V 7.13 4.46 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 0.88 0.00 0.00 1.11 0.00 0.00 34 Y 8.83 4.25 0.00 3.21 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 35 R 8.85 3.96 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 36 F 8.36 3.92 0.00 2.97 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 37 F 8.37 4.84 0.00 3.33 3.03 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 38 G 8.53 4.08 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 0.00 0.00 0.00 39 L 7.70 4.72 0.00 1.74 1.55 0.82 1.17 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 40 C 8.11 5.11 0.00 3.20 3.10 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 41 R 8.46 3.34 0.00 2.08 2.40 0.00 2.79 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 I 7.60 3.77 1.87 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 1.64 0.57 0.90 0.00 0.00 43 C 7.91 4.28 0.00 3.14 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 44 L 8.49 3.60 0.00 1.39 1.68 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.17 3.71 0.00 1.92 2.18 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 46 E 8.19 4.13 0.00 2.14 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 2.33 2.52 0.00 47 L 8.00 3.97 0.00 1.60 1.68 0.91 0.79 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 48 A 7.73 3.94 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 49 H 7.70 4.27 0.00 3.37 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.83 4.18 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.62 7.81 51 G 7.90 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.82 4.18 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 7.25 4.61 0.00 1.65 1.73 0.41 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.11 0.00 2.25 2.07 0.00 3.84 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 55 G 8.99 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 56 V 7.85 3.52 2.33 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 0.73 0.00 0.00 1.27 0.00 0.00 57 R 8.17 4.59 0.00 1.92 1.77 0.00 3.30 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 58 K 8.39 4.23 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 59 A 8.37 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.72 0.00 3.82 3.78 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 0.00 0.00 0.00 61 W 8.32 4.86 0.00 3.39 3.03 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