NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4130 8.2629 120.3488 55.2201 33.4075 174.6239 5 K 4.9107 8.4688 128.5018 51.7155 35.9974 168.5447 6 E 4.8325 9.7861 120.6077 54.5250 34.4249 173.1894 7 L 4.9870 8.4245 120.5140 53.2324 44.9295 175.4385 8 V 4.5512 9.0771 125.7965 61.0917 34.5755 173.8763 9 E 5.4232 8.8278 126.0386 54.8371 32.6172 175.0218 10 M 4.9466 8.9775 119.4640 53.7349 35.4076 173.3679 11 A 5.0871 8.5562 121.8831 50.4562 21.1191 176.3358 12 V 4.4850 8.5383 122.9621 59.8220 34.7007 173.0815 13 P 4.6379 0.0000 0.0000 63.3701 31.2873 176.6830 14 E 3.8567 9.9260 126.4397 59.3299 29.6712 177.8300 15 N 4.7772 8.0915 112.5740 53.2209 37.5817 175.0123 16 L 4.6864 8.0072 117.9229 54.1451 43.8077 178.3887 17 V 3.6778 7.6872 119.1777 66.0640 31.2544 177.9552 18 G 3.6725 8.1576 104.5434 47.4930 0.0000 175.2723 19 A 4.2539 7.9932 122.2269 54.7303 17.2442 179.2020 20 I 3.9418 7.6325 118.4103 63.8435 37.5086 178.4667 21 L 4.0214 7.6831 119.5164 56.8024 41.9449 178.2908 22 G 3.9897 8.6328 108.5631 45.4534 0.0000 172.7205 23 K 3.9297 8.4240 119.7056 55.6920 31.5266 173.3059 24 G 3.7707 9.9589 111.6606 45.3406 0.0000 173.7934 25 G 3.9254 8.0914 106.7237 45.1541 0.0000 176.0493 26 K 3.8926 8.1505 120.9673 59.6604 31.7717 179.3881 27 T 3.5685 7.8309 115.9490 66.3785 68.3174 176.5385 28 L 3.8018 7.1599 122.2589 57.9040 41.9837 179.2196 29 V 3.5087 7.4551 118.3092 66.0863 31.5573 177.4220 30 E 3.9605 8.3363 119.2503 59.8132 29.3660 178.5569 31 Y 4.3566 8.2949 116.7265 61.1508 37.8478 178.2790 32 Q 4.3996 8.1934 120.4270 58.3503 28.6142 178.3043 33 E 3.9320 8.1802 119.2178 59.2771 29.7933 178.4513 34 L 4.1655 7.8432 117.7153 58.1618 41.8925 179.3536 35 T 4.2184 7.9361 107.2939 62.0391 69.1382 175.8834 36 G 3.8432 8.3109 109.0070 45.4951 0.0000 172.7021 37 A 4.9045 7.7252 121.3700 49.9133 21.9738 176.4438 38 R 4.4221 8.6986 121.3700 55.6818 31.7091 175.2629 39 I 5.0304 8.3916 126.2537 59.6331 40.1239 174.7287 40 Q 4.6918 9.4648 126.0085 54.0387 32.0813 174.4732 41 I 4.5113 8.3012 124.1941 60.8243 39.6894 173.8296 42 S 3.9041 8.4692 122.3770 60.1654 62.1075 175.2130 *51 T 4.0909 8.5375 108.2268 61.6188 70.5326 175.5227 52 R 4.2977 8.3722 122.6433 58.4365 30.9382 175.9074 53 N 5.3806 8.0990 113.8489 51.9590 40.9658 174.9228 54 R 4.5715 9.2318 124.0276 55.7561 33.2548 176.1221 55 R 4.7945 8.3738 121.7238 55.8428 31.5568 176.0536 56 V 4.6994 9.1296 124.5178 60.5395 34.2389 174.2406 57 T 5.1241 8.8906 124.8601 61.9277 70.9971 173.3873 58 I 5.2041 9.0011 127.6295 59.6339 40.5421 174.7132 59 T 5.0141 10.2418 117.0766 59.1365 72.1322 174.8019 60 G 4.0755 7.6308 109.6680 45.5235 0.0000 171.9778 61 S 4.8364 7.8388 117.5492 56.6050 65.3666 173.1228 62 P 4.4572 0.0000 0.0000 65.2384 31.0632 178.8990 63 A 3.9932 7.9765 118.5797 54.8161 18.3382 179.4564 64 A 3.8702 7.8546 118.9850 55.6915 18.5159 179.7054 65 T 3.8027 8.0664 111.7876 65.4471 67.2746 176.0273 66 Q 3.9581 8.3338 121.3047 58.9581 29.0022 177.9695 67 A 3.9760 8.1336 121.8258 54.8846 18.3248 179.4494 68 A 3.8652 8.0831 119.3218 55.3604 18.4606 179.6105 69 Q 3.9091 8.2622 118.1690 59.4211 29.0689 177.8865 70 Y 4.0163 8.2800 120.6521 60.7712 39.0386 177.8991 71 L 3.6872 8.2578 120.2650 57.7147 41.6275 179.5576 72 I 3.8250 8.0177 119.9627 64.5556 36.8616 178.3593 73 S 4.0838 8.0267 114.8912 61.9817 62.7765 176.5257 74 Q 3.9997 7.7143 121.4811 59.7475 28.4609 179.7345 75 R 4.2931 7.6007 120.1834 60.0719 30.4701 179.7913 76 V 4.1065 7.6423 120.9592 62.5846 30.0921 176.6302 77 T 3.6234 8.1359 114.6634 60.3914 68.1704 171.4661 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 4 M 8.26 4.41 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 5 K 8.47 4.91 0.00 1.61 1.50 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.07 7.81 6 E 9.79 4.83 0.00 1.92 2.04 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 2.18 2.24 0.00 7 L 8.42 4.99 0.00 1.63 1.54 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.08 4.55 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 0.96 0.00 0.00 0.94 0.00 0.00 9 E 8.83 5.42 0.00 1.85 1.80 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 2.20 2.27 0.00 10 M 8.98 4.95 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 11 A 8.56 5.09 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 12 V 8.54 4.48 2.08 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 0.99 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.64 0.00 2.33 2.19 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 14 E 9.93 3.86 0.00 1.97 2.17 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 2.31 2.31 0.00 15 N 8.09 4.78 0.00 2.85 2.90 0.00 0.00 5.80 7.79 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 16 L 8.01 4.69 0.00 1.81 1.67 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.69 3.68 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 18 G 8.16 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.25 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 20 I 7.63 3.94 2.01 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 1.56 0.86 0.91 0.00 0.00 21 L 7.68 4.02 0.00 1.69 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.63 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 0.00 0.00 0.00 0.00 23 K 8.42 3.93 0.00 1.69 1.74 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.02 7.81 24 G 9.96 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 0.00 0.00 0.00 25 G 8.09 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 0.00 0.00 0.00 26 K 8.15 3.89 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 27 T 7.83 3.57 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 28 L 7.16 3.80 0.00 1.76 1.60 0.96 0.89 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 29 V 7.46 3.51 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 1.02 0.00 0.00 0.97 0.00 0.00 30 E 8.34 3.96 0.00 2.13 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 0.00 2.48 2.45 0.00 31 Y 8.29 4.36 0.00 3.12 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 32 Q 8.19 4.40 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 33 E 8.18 3.93 0.00 1.98 2.17 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 2.35 2.38 0.00 34 L 7.84 4.17 0.00 1.84 1.73 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.94 4.22 4.39 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 1.26 0.00 0.00 36 G 8.31 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 37 A 7.73 4.90 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 38 R 8.70 4.42 0.00 1.92 1.81 0.00 3.04 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 39 I 8.39 5.03 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.95 0.00 0.00 40 Q 9.46 4.69 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 41 I 8.30 4.51 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 1.40 0.88 0.91 0.00 0.00 42 S 8.47 3.90 0.00 4.01 3.74 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 0.00 0.00 0.00 *51 T 8.54 4.09 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 52 R 8.37 4.30 0.00 1.52 1.97 0.00 3.21 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 53 N 8.10 5.38 0.00 2.58 2.74 0.00 0.00 6.87 7.66 0.00 0.00 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 R 9.23 4.57 0.00 1.71 1.83 0.00 3.49 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 55 R 8.37 4.79 0.00 1.50 1.80 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 56 V 9.13 4.70 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 0.93 0.00 0.00 0.94 0.00 0.00 57 T 8.89 5.12 4.25 0.00 0.00 0.00 0.00 0.00 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 58 I 9.00 5.20 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.93 0.00 0.00 59 T 10.24 5.01 4.25 0.00 0.00 0.00 0.00 0.00 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 60 G 7.63 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 61 S 7.84 4.84 0.00 4.06 4.02 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 62 P 0.00 4.46 0.00 2.17 2.15 0.00 3.87 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 2.11 2.17 0.00 63 A 7.98 3.99 1.30 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 0.00 0.00 0.00 64 A 7.85 3.87 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 65 T 8.07 3.80 4.47 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 1.37 0.00 0.00 66 Q 8.33 3.96 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 67 A 8.13 3.98 1.36 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 0.00 0.00 68 A 8.08 3.87 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 69 Q 8.26 3.91 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 70 Y 8.28 4.02 0.00 3.07 3.07 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 71 L 8.26 3.69 0.00 1.18 0.82 0.43 0.48 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 72 I 8.02 3.83 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.26 0.94 0.00 0.00 73 S 8.03 4.08 0.00 3.77 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 74 Q 7.71 4.00 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.01 0.00 0.00 0.00 0.00 0.00 1.46 1.87 0.00 75 R 7.60 4.29 0.00 1.95 1.84 0.00 3.26 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 76 V 7.64 4.11 2.07 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 0.94 0.00 0.00 0.97 0.00 0.00 77 T 8.14 3.62 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 * Residues marked with a * may have inaccurate shift predictions.