NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3275 8.1429 120.7665 54.6463 43.5242 179.3210 6 T 3.8487 8.2226 113.9203 65.5759 68.4906 176.5539 7 L 4.4259 8.2319 126.6333 59.9737 41.1107 181.0520 8 E 4.2596 8.3611 121.4476 61.8203 29.7025 181.3364 9 I 3.9796 7.9344 123.8329 65.7870 35.0569 180.3741 10 I 3.8296 8.4260 122.7444 65.8247 35.3492 181.9762 11 S 4.4862 9.7734 118.8528 62.9425 61.0526 177.8187 12 A 4.4040 8.3169 126.6669 56.6422 18.1619 179.8470 13 I 3.3907 7.9714 118.9345 66.4696 35.2854 179.8125 14 N 4.5073 8.0925 120.2878 55.8704 38.0300 179.3782 15 K 4.1405 8.3624 121.6002 58.0656 31.9941 180.3531 16 L 4.1746 7.4599 118.9306 57.8268 40.8076 180.8795 17 V 3.8695 7.4646 121.1894 61.5014 29.6475 177.6766 *46 L 4.4984 8.1789 125.7622 53.8339 43.2160 179.6876 47 G 3.7131 8.2942 110.7985 49.0734 0.0000 176.0246 48 L 3.9744 8.1309 118.8101 56.9472 41.1227 179.8699 49 A 4.1593 8.3508 123.4658 55.3120 18.7880 178.5594 50 D 4.5165 8.1557 120.0250 57.1412 39.8957 181.4129 51 V 4.0010 8.4213 120.8054 67.0165 32.3085 180.6562 52 L 4.2618 7.6995 124.5739 60.4055 40.7938 180.9182 *53 W 4.2575 8.5973 123.0404 63.3178 27.8213 179.9769 54 D 4.6641 7.8849 120.0768 59.2098 39.6904 181.5184 55 L 4.2741 8.2918 125.5499 59.9638 40.9616 181.2591 56 E 4.4058 10.0040 120.2853 61.5675 29.7083 181.2782 57 Q 4.4906 7.9938 123.0502 59.4362 28.3938 179.9341 58 L 4.0701 7.4269 123.2271 55.1819 41.6459 178.8303 *76 N 4.8705 9.0008 123.0212 52.1132 39.9400 173.9948 77 I 3.7889 8.0540 115.5414 62.7296 35.7549 179.0915 78 G 3.8660 8.4034 111.3155 49.1978 0.0000 174.9107 79 D 4.4309 8.4585 120.2802 56.5075 39.9399 179.1034 80 V 4.3139 7.6717 126.3078 61.0638 33.8541 174.8865 81 V 3.7541 8.3097 126.0166 69.0224 31.4344 184.5302 82 E 3.9805 7.6109 118.1340 59.7239 29.9820 180.7912 83 A 4.2532 7.7585 122.0683 56.1334 18.5088 179.7516 84 V 3.7187 9.4227 115.5058 64.7329 31.9665 180.1738 85 R 4.1361 8.2489 117.8106 58.8757 29.3825 178.4160 86 G 3.9191 7.9215 111.2346 45.7155 0.0000 172.9993 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 5 L 8.14 4.33 0.00 1.59 1.74 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.22 3.85 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 7 L 8.23 4.43 0.00 1.64 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.36 4.26 0.00 1.96 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 0.00 2.32 1.95 0.00 9 I 7.93 3.98 1.87 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 1.38 0.53 0.91 0.00 0.00 10 I 8.43 3.83 1.87 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 1.38 1.10 0.91 0.00 0.00 11 S 9.77 4.49 0.00 3.71 3.82 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 12 A 8.32 4.40 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.39 1.87 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 1.38 0.69 0.91 0.00 0.00 14 N 8.09 4.51 0.00 2.73 2.77 0.00 0.00 6.52 7.44 0.00 0.00 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 K 8.36 4.14 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.02 7.81 16 L 7.46 4.17 0.00 1.63 1.62 0.92 0.89 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 17 V 7.46 3.87 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 0.82 0.00 0.00 0.93 0.00 0.00 *46 L 8.18 4.50 0.00 1.59 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.29 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.13 3.97 0.00 1.68 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.35 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.16 4.52 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.00 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 0.75 0.00 0.00 0.93 0.00 0.00 52 L 7.70 4.26 0.00 1.69 1.71 0.92 1.04 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 *53 W 8.60 4.26 0.00 2.49 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 0.00 0.00 0.00 0.00 54 D 7.88 4.66 0.00 2.72 2.71 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 0.00 0.00 0.00 0.00 55 L 8.29 4.27 0.00 1.68 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.00 4.41 0.00 2.07 1.91 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 2.26 2.21 0.00 57 Q 7.99 4.49 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 58 L 7.43 4.07 0.00 1.67 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *76 N 9.00 4.87 0.00 2.67 2.89 0.00 0.00 7.00 7.76 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 77 I 8.05 3.79 1.87 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 1.35 1.10 0.91 0.00 0.00 78 G 8.40 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 0.00 0.00 0.00 79 D 8.46 4.43 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.67 4.31 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 0.57 0.00 0.00 0.93 0.00 0.00 81 V 8.31 3.75 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 0.75 0.00 0.00 0.93 0.00 0.00 82 E 7.61 3.98 0.00 1.99 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 0.00 2.31 2.01 0.00 83 A 7.76 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.42 3.72 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 0.70 0.00 0.00 0.93 0.00 0.00 85 R 8.25 4.14 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 86 G 7.92 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 * Residues marked with a * may have inaccurate shift predictions.