NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 P 4.1969 0.0000 0.0000 61.1072 32.8566 176.5462 14 Q 3.2405 9.2367 121.3932 55.9552 26.5665 166.8427 15 V 4.0007 7.3920 118.8940 62.3693 34.2359 175.1519 16 I 4.2372 8.5746 128.0168 59.1380 40.4396 174.1002 17 S 4.9703 8.4780 125.1978 57.5801 64.1696 173.1810 18 A 4.7042 8.4433 125.2357 50.5966 23.4493 174.3487 19 T 4.9230 8.1541 107.8776 60.0175 72.9077 173.9606 20 G 4.4018 7.6354 107.4075 45.9250 0.0000 171.4078 21 V 4.8734 7.7651 118.6033 60.8245 34.9888 176.1309 22 V 4.1694 9.1687 128.5802 63.2158 31.6755 176.3328 23 K 3.7808 8.9474 128.0502 57.6882 33.6507 177.1289 24 G 4.1346 7.4132 103.4148 45.4747 0.0000 172.6144 25 I 4.9632 8.4012 122.4203 59.2783 41.1269 174.7322 26 D 4.5807 9.2015 125.8976 52.7055 43.2316 175.7634 27 L 4.1998 8.6807 126.1124 56.4474 42.3043 178.6215 28 E 4.0759 8.2520 119.5953 59.1017 29.7668 177.7410 29 S 4.2700 8.6313 111.4020 58.6987 63.6895 174.0374 30 K 3.9162 8.1152 119.8881 57.8208 28.7462 175.1038 31 K 5.1750 8.0404 116.3742 54.6205 36.2266 175.4838 32 I 4.8696 8.6943 122.5471 59.7150 41.4633 173.9449 33 T 4.9049 9.0460 126.7260 62.5764 70.2433 173.8154 34 I 4.8805 8.8450 127.1469 59.6461 40.9745 174.3036 35 H 5.0257 9.2512 128.0651 56.0843 30.0875 173.5754 36 H 5.5746 9.0202 122.3233 53.7312 31.3956 174.2330 37 D 4.7990 8.4775 119.4807 53.4769 41.5880 174.5191 38 P 4.7187 0.0000 0.0000 63.6302 32.4717 176.9476 39 I 4.5902 9.3752 122.5039 59.2098 38.3679 176.0393 40 A 4.0056 8.6075 130.2822 54.5134 18.8040 179.7429 41 A 3.9458 8.0293 118.0452 55.0056 18.4184 178.5184 42 V 4.1339 6.9059 105.3926 60.4141 33.2401 174.6583 43 N 4.2007 7.5790 116.2330 54.5909 37.6504 173.8502 44 W 5.1641 8.0121 116.4852 54.2013 31.0760 175.5247 45 P 4.6306 0.0000 0.0000 61.7247 32.9889 174.4598 46 E 4.4023 8.6884 119.7065 57.5337 29.7664 176.7990 47 M 4.6420 8.5008 122.9465 54.6397 35.2579 173.5785 48 T 4.8010 8.1572 116.9639 62.5440 69.7840 173.9393 49 M 4.5899 9.0187 126.2080 53.4892 36.3154 174.1037 50 R 4.5716 8.1641 123.1035 55.7003 31.1735 175.7736 51 F 4.7563 9.1250 123.0329 55.9244 42.1153 174.9066 52 T 4.8799 8.8787 119.3052 62.7130 70.2726 173.9064 53 I 4.9534 8.7179 125.8929 59.7483 40.3163 174.9079 54 T 4.7059 8.4257 114.3823 58.8285 71.5227 173.1613 55 P 4.3584 0.0000 0.0000 64.7125 31.2543 177.3638 56 Q 4.4213 7.6900 115.7309 56.1814 29.6465 175.9940 57 T 4.1295 7.4507 116.1447 63.5772 69.1644 174.2561 58 K 4.2600 9.0906 127.0502 56.5437 32.8733 175.9454 59 M 5.0116 8.6553 124.6947 53.6805 34.6772 175.8164 60 S 4.7417 8.1950 117.6743 56.5309 65.9476 173.4825 61 E 4.1543 8.6318 122.3544 55.8111 29.5261 175.6527 62 I 4.7435 8.2139 119.3634 58.9009 40.5069 174.7996 63 K 4.6697 8.5927 121.6888 54.2152 35.0269 175.7939 64 T 4.1379 8.3316 116.9491 65.8108 68.6294 175.0165 65 G 3.9837 9.4937 114.4334 45.3997 0.0000 173.4804 66 D 4.6142 7.9066 120.2806 53.9163 42.4972 175.3186 67 K 4.7834 8.5544 123.3519 55.9001 33.8785 175.8023 68 V 5.1001 9.1352 119.8307 59.5767 36.4038 174.1045 69 A 5.2983 8.9378 125.2103 50.2655 21.5056 175.6653 70 F 5.4377 8.7141 116.0822 55.4778 42.1174 173.0258 71 N 5.6581 9.0131 117.6915 51.7803 41.4702 173.7520 72 F 5.5255 8.9356 116.4368 55.8925 42.0558 173.4049 73 V 4.7515 8.9505 112.3140 59.7424 35.6562 174.4416 74 Q 5.3559 8.4609 121.0567 54.4229 30.4963 175.4851 75 Q 4.5258 9.0652 120.0891 56.1346 32.4781 175.0345 76 G 4.1519 8.6349 109.4912 46.6777 0.0000 173.8291 77 N 4.8244 8.7938 123.1085 52.5874 37.8951 174.9300 78 L 4.4117 7.5245 119.0587 54.2219 43.0223 175.8945 79 S 5.2463 8.4851 118.1104 57.1856 65.2830 172.6891 80 L 5.1764 8.9755 126.2336 52.7685 43.4865 176.3811 81 L 4.7898 8.8960 125.4244 55.2697 41.7575 177.1227 82 Q 4.5849 9.3720 122.9159 57.6324 30.9671 174.9877 83 D 5.1009 7.8761 116.0870 53.1226 43.0441 174.4877 84 I 5.0684 8.3437 118.1699 60.0365 41.8585 173.3105 85 K 5.0131 9.0339 127.6043 54.9480 36.6674 175.4017 86 V 4.1908 8.3878 121.0624 63.3098 31.5461 175.8082 87 S 4.4812 9.1810 125.8255 60.0945 64.4395 175.1120 *88 Q 4.1161 7.9641 121.9877 55.1071 28.6108 179.5160 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 13 P 0.00 4.20 0.00 2.01 1.86 0.00 3.69 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 1.91 2.07 0.00 14 Q 9.24 3.24 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.87 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 15 V 7.39 4.00 2.01 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 0.73 0.00 0.00 0.90 0.00 0.00 16 I 8.57 4.24 1.49 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.28 -0.20 0.00 0.00 17 S 8.48 4.97 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.44 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.15 4.92 4.26 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 1.16 0.00 0.00 20 G 7.64 4.40 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 0.00 21 V 7.77 4.87 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 0.97 0.00 0.00 0.93 0.00 0.00 22 V 9.17 4.17 2.25 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 0.86 0.00 0.00 0.90 0.00 0.00 23 K 8.95 3.78 0.00 1.64 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.54 7.81 24 G 7.41 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 25 I 8.40 4.96 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.90 0.00 0.00 26 D 9.20 4.58 0.00 2.70 2.47 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 0.00 27 L 8.68 4.20 0.00 1.68 1.70 0.92 0.96 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 28 E 8.25 4.08 0.00 1.92 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 2.28 2.29 0.00 29 S 8.63 4.27 0.00 3.97 3.96 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 30 K 8.12 3.92 0.00 2.03 2.22 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 31 K 8.04 5.18 0.00 1.62 1.62 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 32 I 8.69 4.87 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.74 0.95 0.00 0.00 33 T 9.05 4.90 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 1.17 0.00 0.00 34 I 8.84 4.88 1.86 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.75 0.94 0.00 0.00 35 H 9.25 5.03 0.00 3.24 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.02 5.57 0.00 3.70 3.77 0.00 5.51 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.48 4.80 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.01 2.09 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 39 I 9.38 4.59 2.11 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.93 0.00 0.00 40 A 8.61 4.01 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 41 A 8.03 3.95 1.17 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 42 V 6.91 4.13 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 0.46 0.00 0.00 -0.12 0.00 0.00 43 N 7.58 4.20 0.00 2.79 2.88 0.00 0.00 6.98 7.77 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 44 W 8.01 5.16 0.00 3.62 3.08 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 45 P 0.00 4.63 0.00 2.23 2.17 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 46 E 8.69 4.40 0.00 2.06 1.96 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 2.43 2.42 0.00 47 M 8.50 4.64 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.60 0.00 48 T 8.16 4.80 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 49 M 9.02 4.59 0.00 1.27 1.50 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 50 R 8.16 4.57 0.00 1.54 1.71 0.00 3.10 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 51 F 9.12 4.76 0.00 2.81 2.79 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 0.00 0.00 0.00 52 T 8.88 4.88 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 1.29 0.00 0.00 53 I 8.72 4.95 1.99 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 1.30 0.63 0.92 0.00 0.00 54 T 8.43 4.71 4.26 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 1.25 0.00 0.00 55 P 0.00 4.36 0.00 2.07 2.16 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 56 Q 7.69 4.42 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 57 T 7.45 4.13 4.26 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 1.27 0.00 0.00 58 K 9.09 4.26 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.44 7.81 59 M 8.66 5.01 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 60 S 8.20 4.74 0.00 3.76 3.80 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 0.00 0.00 0.00 61 E 8.63 4.15 0.00 1.93 1.87 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 2.29 2.29 0.00 62 I 8.21 4.74 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.92 0.00 0.00 63 K 8.59 4.67 0.00 1.86 1.71 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 64 T 8.33 4.14 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 1.27 0.00 0.00 65 G 9.49 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.91 4.61 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.78 0.00 1.85 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.63 7.81 68 V 9.14 5.10 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 0.83 0.00 0.00 1.00 0.00 0.00 69 A 8.94 5.30 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 70 F 8.71 5.44 0.00 3.17 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 71 N 9.01 5.66 0.00 2.83 2.73 0.00 0.00 6.72 8.18 0.00 0.00 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 F 8.94 5.53 0.00 3.39 3.22 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 73 V 8.95 4.75 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 0.75 0.00 0.00 1.01 0.00 0.00 74 Q 8.46 5.36 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 75 Q 9.07 4.53 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.66 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 76 G 8.63 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 0.00 0.00 0.00 0.00 77 N 8.79 4.82 0.00 2.84 2.93 0.00 0.00 5.84 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 78 L 7.52 4.41 0.00 1.97 1.66 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.49 5.25 0.00 3.59 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 80 L 8.98 5.18 0.00 1.71 1.68 0.99 0.51 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 81 L 8.90 4.79 0.00 1.67 1.67 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.37 4.58 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 83 D 7.88 5.10 0.00 2.95 2.76 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 0.00 0.00 0.00 0.00 84 I 8.34 5.07 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.91 0.00 0.00 85 K 9.03 5.01 0.00 1.84 1.85 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.39 7.81 86 V 8.39 4.19 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 0.88 0.00 0.00 0.94 0.00 0.00 87 S 9.18 4.48 0.00 3.77 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 *88 Q 7.96 4.12 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.