NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 A 4.2409 8.1185 123.5821 52.3376 19.8551 177.1744 33 A 4.2068 8.5444 121.5393 52.2358 18.1545 172.5098 34 V 4.0961 7.4127 113.1222 60.8296 32.5362 173.7220 35 P 4.4140 0.0000 0.0000 61.3111 31.3412 172.9051 36 A 4.3187 8.1739 121.7336 52.4380 19.0531 177.9957 37 T 3.9290 8.4542 114.1164 64.2928 67.5942 174.5382 38 S 4.5936 7.7388 114.7590 56.1772 64.7327 172.6224 39 E 4.3712 8.7352 127.7301 55.4442 30.3547 176.1510 40 S 4.5833 8.4436 118.2761 56.8831 64.4286 171.6857 41 P 5.0470 0.0000 0.0000 60.9477 34.3725 172.2184 42 V 4.0670 8.1694 115.8584 62.2362 33.9757 175.4787 43 L 4.2999 8.3147 122.7826 55.0635 43.7559 177.5704 *48 S 4.4219 8.1251 115.7019 57.6570 64.1370 173.7513 49 V 4.4452 7.9654 121.1732 61.5165 32.8041 175.5890 50 L 4.8573 8.0875 125.2940 53.2991 43.6173 176.0952 51 C 4.7171 7.8645 110.9520 56.2261 32.8643 174.0275 52 R 3.8894 8.4283 122.3179 59.8516 29.4885 178.6950 53 E 3.9449 8.2149 115.9749 59.8964 29.6373 179.3069 54 S 4.3516 7.9517 111.1040 59.8609 63.5040 175.2345 55 L 4.3964 7.5576 123.0244 55.3492 41.9872 176.0362 56 R 4.0783 7.8359 120.0234 58.2491 30.0590 176.0346 57 G 4.1354 8.9906 113.6161 45.8407 0.0000 174.4650 58 Q 4.0485 7.9713 117.9134 58.2481 28.9975 176.9210 59 A 4.0412 7.8568 120.2182 51.8218 18.9699 176.9308 60 A 4.2653 8.4648 125.2888 52.1130 19.1282 177.6823 61 G 4.1339 8.4983 107.1697 44.9349 0.0000 172.3995 62 R 4.7030 7.6024 116.9283 53.4060 34.4081 172.7039 63 P 4.4186 0.0000 0.0000 62.9624 31.7347 175.7156 64 L 5.1680 8.0276 119.3938 54.2068 42.4802 175.7583 65 V 4.5820 8.2311 118.6550 61.0343 35.0864 173.7642 66 A 5.1715 8.6398 127.6836 50.2588 21.5185 175.5150 67 S 4.8186 9.1017 117.9532 56.6340 66.8331 173.4708 68 V 4.7668 8.3454 121.8879 61.2946 34.5138 174.2169 69 S 4.7372 8.4524 119.3338 56.3710 65.9572 173.5631 70 L 4.1931 8.5763 124.3857 57.1895 42.0195 177.0622 71 N 4.8746 8.0495 111.9186 52.7587 40.1620 174.4669 72 V 4.5024 7.1550 116.9750 59.7293 34.5139 173.3594 73 P 4.2954 0.0000 0.0000 62.6138 31.7306 176.1922 74 A 4.5627 8.2494 122.9925 52.3291 19.4813 176.3689 75 S 4.8241 8.7670 112.9850 57.1502 67.2292 173.5077 76 V 4.8287 8.2658 121.6777 60.9497 34.0092 175.4306 77 R 4.5464 9.1040 125.6424 56.0152 32.1581 173.0543 *78 Y 3.8739 8.4563 117.2371 58.6129 37.8789 171.3937 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 32 A 8.12 4.24 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 33 A 8.54 4.21 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 34 V 7.41 4.10 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 0.67 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.41 0.00 2.09 1.83 0.00 3.75 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 1.94 1.59 0.00 36 A 8.17 4.32 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 37 T 8.45 3.93 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 38 S 7.74 4.59 0.00 3.81 3.68 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 39 E 8.74 4.37 0.00 2.25 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.86 0.00 40 S 8.44 4.58 0.00 3.97 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 41 P 0.00 5.05 0.00 2.13 2.00 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 42 V 8.17 4.07 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 0.87 0.00 0.00 0.93 0.00 0.00 43 L 8.31 4.30 0.00 1.92 1.54 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *48 S 8.13 4.42 0.00 3.60 3.68 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 49 V 7.97 4.45 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 0.98 0.00 0.00 0.98 0.00 0.00 50 L 8.09 4.86 0.00 1.60 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.86 4.72 0.00 3.08 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 52 R 8.43 3.89 0.00 1.87 2.05 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 53 E 8.21 3.94 0.00 1.91 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 2.32 2.49 0.00 54 S 7.95 4.35 0.00 3.84 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 55 L 7.56 4.40 0.00 1.93 1.79 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.84 4.08 0.00 1.87 2.00 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 57 G 8.99 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.97 4.05 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 59 A 7.86 4.04 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 60 A 8.46 4.27 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 61 G 8.50 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.70 0.00 1.74 1.79 0.00 3.22 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 1.60 0.00 63 P 0.00 4.42 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 64 L 8.03 5.17 0.00 2.15 1.75 0.92 0.63 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 65 V 8.23 4.58 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 1.08 0.00 0.00 0.93 0.00 0.00 66 A 8.64 5.17 1.19 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 0.00 0.00 67 S 9.10 4.82 0.00 3.73 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 68 V 8.35 4.77 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 0.78 0.00 0.00 0.93 0.00 0.00 69 S 8.45 4.74 0.00 3.80 3.89 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 70 L 8.58 4.19 0.00 1.62 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.05 4.87 0.00 2.75 2.96 0.00 0.00 6.59 7.68 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 72 V 7.15 4.50 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 0.80 0.00 0.00 1.01 0.00 0.00 73 P 0.00 4.30 0.00 2.08 1.98 0.00 3.77 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 2.03 2.09 0.00 74 A 8.25 4.56 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 75 S 8.77 4.82 0.00 3.87 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 76 V 8.27 4.83 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 0.71 0.00 0.00 0.93 0.00 0.00 77 R 9.10 4.55 0.00 1.50 1.83 0.00 3.41 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 *78 Y 8.46 3.87 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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.