NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3199 0.0000 0.0000 62.2634 33.3144 175.5202 2 V 4.2608 7.2175 109.3366 59.2008 35.7280 172.9266 3 F 4.7060 9.0023 120.4410 55.9086 42.1082 174.6276 4 A 4.8553 8.4846 126.1007 50.2315 22.3451 174.7503 5 K 4.5332 8.3004 119.4806 53.9451 34.5607 175.7696 6 A 4.0726 8.6880 129.0587 52.6214 18.4397 177.1881 7 I 4.3244 8.2653 115.6860 60.8021 38.7587 175.5586 8 Q 4.4465 7.6142 121.8340 54.4052 31.8384 173.6659 9 K 3.9729 8.6063 126.4061 57.0133 32.7601 175.7940 10 R 4.5242 8.2349 123.8217 54.9027 33.1965 174.0272 11 V 4.3556 8.2445 124.9108 60.4976 33.1795 174.4351 12 P 4.4502 0.0000 0.0000 63.3012 30.7051 175.2642 13 C 4.6602 8.0554 116.8547 58.4956 29.6034 173.2135 14 A 4.6681 8.4940 127.7573 50.5925 20.3681 175.0283 15 Y 4.5666 8.4785 122.8234 55.9822 40.3277 174.8824 16 D 4.4129 7.8950 127.3073 52.1633 40.4493 176.5840 17 K 3.6871 8.0025 126.0798 58.5267 32.9611 177.9418 18 T 4.2315 8.4424 109.7334 61.6063 69.5579 173.9146 19 A 4.7105 7.5381 125.3841 51.3677 19.4909 176.9123 20 L 4.2794 9.1109 125.6702 54.4692 42.7660 176.3391 21 A 4.3354 8.6707 128.8524 51.6634 19.2319 176.4589 22 L 4.7011 8.4846 121.6275 52.7772 45.0629 175.7975 23 E 4.6634 8.6474 122.0847 53.8950 31.8446 175.8693 24 V 3.6732 8.2392 122.3359 64.6980 31.8126 175.5424 25 G 4.1053 9.1865 115.3951 45.6080 0.0000 173.5885 26 D 4.3748 7.7516 118.9750 54.9426 41.2943 176.1889 27 I 4.2296 8.2642 123.9576 60.4537 37.9986 175.1295 28 V 4.4066 8.3410 125.5580 61.0062 33.3715 175.1707 29 K 4.4545 9.1003 130.9591 55.4520 32.4264 175.2910 30 V 4.5970 8.3355 127.5886 61.4421 31.7307 175.9057 31 T 4.3395 8.8657 120.9589 63.3864 68.3475 174.6085 32 R 4.6237 7.6110 120.0170 55.2185 33.7626 173.7443 33 M 4.2115 8.0978 122.1468 53.1596 33.1039 174.6132 34 N 4.5351 8.3387 122.7311 53.1892 39.4615 175.6894 35 I 4.2122 8.2725 120.8210 61.4291 38.3128 176.2610 36 N 4.9367 7.7148 114.8824 51.6298 36.4278 172.1137 37 G 4.0757 7.5455 110.3500 45.4306 0.0000 170.6622 38 Q 4.7222 7.4831 116.8243 53.6240 31.2420 174.6232 39 W 5.0643 8.7379 122.8130 55.0921 32.3908 174.3976 40 E 5.0971 8.9011 123.2386 54.8626 31.7493 175.3339 41 G 4.9741 8.9767 112.4130 46.3457 0.0000 171.0504 42 E 5.3811 9.1203 116.3560 54.9193 33.4763 174.6964 43 V 4.5334 8.3846 120.9302 59.7894 34.1156 175.2393 44 N 4.2561 9.1525 124.3696 54.6637 36.7686 177.6672 45 G 3.8490 8.9241 117.4169 47.1255 0.0000 173.3242 46 R 4.3126 7.7265 118.3216 55.1197 30.4899 176.0933 47 K 4.9527 8.4329 121.1836 54.3475 35.1109 175.4499 48 G 4.0405 7.6104 105.1938 47.0043 0.0000 171.6034 49 L 5.4608 8.1287 119.6887 53.5033 44.5372 176.0095 50 F 5.2990 8.3381 114.9030 56.3092 41.8913 171.4073 51 P 4.3401 0.0000 0.0000 61.4129 32.0968 177.6265 52 F 3.6330 6.9683 116.5866 59.6586 37.4727 177.3981 53 T 3.9386 6.9291 109.9121 63.9562 68.3531 174.0415 54 H 4.6595 8.1990 118.3199 55.6859 29.0928 174.9438 55 V 4.4540 7.8298 112.1827 59.2879 35.4150 174.7315 56 K 4.4598 8.1749 122.2647 54.2613 33.8913 175.9872 57 I 3.9080 8.3702 127.8133 60.9651 37.6672 176.1491 58 F 4.1904 8.7770 124.1558 57.6038 39.3694 174.2430 59 D 4.8772 8.5982 124.0585 51.8495 41.8795 173.7863 60 P 4.3718 0.0000 0.0000 65.8994 31.6209 177.3856 61 Q 4.1949 8.2338 118.1438 54.5903 26.8528 173.9643 62 N 4.5551 8.1873 125.7716 53.7426 38.9223 172.9040 *63 P 4.2330 0.0000 0.0000 62.2187 31.5544 178.3104 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 P 0.00 4.32 0.00 2.15 2.21 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.96 0.00 2 V 7.22 4.26 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 0.72 0.00 0.00 0.90 0.00 0.00 3 F 9.00 4.71 0.00 3.04 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 4 A 8.48 4.86 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.30 4.53 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81 6 A 8.69 4.07 1.27 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 0.00 0.00 0.00 7 I 8.27 4.32 1.88 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 1.31 0.73 0.99 0.00 0.00 8 Q 7.61 4.45 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 9 K 8.61 3.97 0.00 1.75 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.45 7.81 10 R 8.23 4.52 0.00 1.73 1.74 0.00 3.31 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 11 V 8.24 4.36 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 1.00 0.00 0.00 0.93 0.00 0.00 12 P 0.00 4.45 0.00 2.22 2.12 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 C 8.06 4.66 0.00 2.99 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 14 A 8.49 4.67 1.25 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 0.00 0.00 0.00 15 Y 8.48 4.57 0.00 2.85 2.89 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 16 D 7.89 4.41 0.00 2.57 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.69 0.00 1.93 1.95 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 18 T 8.44 4.23 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 19 A 7.54 4.71 1.27 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 0.00 0.00 0.00 20 L 9.11 4.28 0.00 1.62 1.90 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.67 4.34 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 22 L 8.48 4.70 0.00 1.55 1.47 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.65 4.66 0.00 2.22 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 24 V 8.24 3.67 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 0.76 0.00 0.00 0.92 0.00 0.00 25 G 9.19 4.11 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 0.00 26 D 7.75 4.37 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.23 1.92 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 1.37 0.82 1.00 0.00 0.00 28 V 8.34 4.41 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 0.61 0.00 0.00 0.75 0.00 0.00 29 K 9.10 4.45 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.42 7.81 30 V 8.34 4.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.09 0.00 0.00 31 T 8.87 4.34 4.29 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 1.38 0.00 0.00 32 R 7.61 4.62 0.00 1.86 1.66 0.00 3.17 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 33 M 8.10 4.21 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 34 N 8.34 4.54 0.00 3.15 2.80 0.00 0.00 6.38 7.14 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 35 I 8.27 4.21 1.88 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 1.46 0.80 0.93 0.00 0.00 36 N 7.71 4.94 0.00 2.79 2.75 0.00 0.00 6.83 7.50 0.00 0.00 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 G 7.55 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 38 Q 7.48 4.72 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 39 W 8.74 5.06 0.00 2.02 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 40 E 8.90 5.10 0.00 2.03 1.79 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 0.00 2.26 2.29 0.00 41 G 8.98 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.12 5.38 0.00 2.15 2.06 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 2.24 2.30 0.00 43 V 8.38 4.53 2.06 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 0.87 0.00 0.00 0.93 0.00 0.00 44 N 9.15 4.26 0.00 2.91 2.07 0.00 0.00 7.08 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 45 G 8.92 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 0.00 0.00 0.00 46 R 7.73 4.31 0.00 1.99 2.10 0.00 2.77 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 47 K 8.43 4.95 0.00 1.79 1.81 0.00 2.01 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 G 7.61 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 0.00 0.00 0.00 49 L 8.13 5.46 0.00 1.66 1.54 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.34 5.30 0.00 3.07 3.11 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 51 P 0.00 4.34 0.00 2.06 1.73 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 52 F 6.97 3.63 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 6.93 3.94 4.10 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 0.89 0.00 0.00 54 H 8.20 4.66 0.00 3.26 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.83 4.45 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 0.46 0.00 0.00 1.25 0.00 0.00 56 K 8.17 4.46 0.00 1.57 1.47 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.37 7.81 57 I 8.37 3.91 1.96 0.00 0.00 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 1.62 0.79 1.02 0.00 0.00 58 F 8.78 4.19 0.00 3.04 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 D 8.60 4.88 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.10 2.15 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 61 Q 8.23 4.19 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.70 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 62 N 8.19 4.56 0.00 2.89 3.01 0.00 0.00 7.15 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 *63 P 0.00 4.23 0.00 1.88 1.84 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.