NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9611 8.0393 120.3612 62.9252 32.5548 174.0651 8 R 4.4244 7.7857 119.6248 56.4432 31.2392 172.5385 9 C 4.9657 8.8179 115.2943 54.7658 41.9523 175.8205 10 T 3.7432 8.7120 115.6498 64.2600 68.8032 175.3631 11 C 4.4829 9.0881 120.9526 56.7313 40.1251 173.4765 12 I 3.8425 8.3309 126.2396 63.0592 37.3442 175.5202 13 S 4.7475 7.5685 113.6604 57.2256 66.9786 172.8336 14 I 4.6528 7.9622 120.6151 60.2049 40.6466 174.6292 15 S 4.6867 8.9767 120.4369 56.9928 63.4946 173.4929 16 N 4.7411 8.5499 123.1386 53.2773 38.9208 175.4710 17 Q 4.2122 7.3737 116.9767 55.2136 29.3997 174.1757 18 P 4.5624 0.0000 0.0000 61.8883 32.4290 176.1886 19 V 3.9661 8.0096 121.5769 61.7706 32.1184 176.0950 20 N 4.5714 8.5559 125.4333 52.0550 37.1449 173.3076 21 P 4.2696 0.0000 0.0000 64.8175 31.3447 177.5073 22 R 4.5156 7.8992 115.4511 56.1481 30.9009 176.2696 23 S 4.5849 9.1789 114.9026 58.3426 63.9839 174.1125 24 L 4.4637 7.5778 122.3351 54.9364 39.4778 175.7295 25 E 4.2594 8.5457 124.6137 58.0177 29.7571 176.3088 26 K 4.7734 7.7974 117.1871 55.1467 36.6641 173.9520 27 L 5.1080 8.4012 122.6783 53.5863 44.8604 175.1478 28 E 4.7084 9.2882 126.0959 54.8559 32.3658 175.4155 29 I 4.4248 8.2586 123.1688 59.8218 39.7051 175.0962 30 I 4.3083 8.5183 129.6460 58.6731 37.0376 173.8263 31 P 4.6666 0.0000 0.0000 62.4941 31.9927 176.0394 32 A 4.6774 8.5473 122.4258 52.3794 18.1806 177.1446 33 S 4.9097 9.1065 120.1350 57.7797 64.0181 174.2493 34 Q 4.2140 8.8524 114.1732 58.4235 29.4121 177.2392 35 F 4.2110 8.5390 113.9490 58.4448 39.5396 175.9273 36 C 5.0429 7.8003 121.7426 54.4999 44.1535 172.3104 37 P 4.6139 0.0000 0.0000 62.2912 30.7813 176.3221 38 R 4.7445 7.4111 114.8039 54.9689 33.5472 173.6273 39 V 4.3753 8.3020 119.4922 62.5427 31.9584 174.7650 40 E 4.7023 8.8708 126.5686 54.6591 32.9509 175.1105 41 I 4.5237 8.3927 124.7035 59.7028 39.1161 173.8247 42 I 4.5924 8.3429 127.5717 59.8652 39.2676 174.7206 43 A 4.9704 8.8758 127.8355 50.4219 21.9222 174.8744 44 T 4.8977 8.8863 119.9615 62.2323 70.6882 174.0338 45 M 4.5263 9.3085 126.9610 54.3159 33.4491 177.2504 46 K 3.7954 9.3094 123.2356 59.4462 32.7371 177.6260 47 K 3.6171 8.2108 118.6864 58.7027 32.2491 179.2027 48 K 3.7667 9.6917 122.3966 54.6576 30.6023 172.1710 49 G 4.3911 8.4381 104.0049 46.5588 0.0000 173.4436 50 E 4.1945 8.0418 120.1471 55.7066 30.9440 175.4033 51 K 5.0730 8.5168 125.2289 55.3682 34.3336 176.0627 52 R 4.6012 9.0867 123.6296 55.0827 33.8416 173.4628 53 C 4.9857 8.9671 123.8826 56.9266 41.6216 172.5340 54 L 5.1718 8.8030 122.8752 52.7181 44.1306 176.1532 55 N 4.4751 8.5913 120.6000 52.5947 38.6787 174.0442 56 P 4.4181 0.0000 0.0000 64.6929 31.7652 177.1105 57 E 4.1776 8.6151 118.7994 58.2147 29.9531 176.6669 58 S 4.3109 7.6729 112.4524 58.4891 63.0807 174.2223 59 K 4.4099 8.3397 120.0855 56.3462 32.6043 178.2021 60 A 4.0885 8.2388 122.2753 54.8806 18.1235 179.7572 61 I 3.7390 7.6217 118.1782 64.3505 37.1970 178.1126 62 K 3.9298 7.9408 119.3307 60.3757 31.8555 177.8448 63 N 4.6211 8.4919 116.7774 53.7373 38.1201 176.9736 64 L 3.7474 7.7372 125.8984 58.5474 43.2080 178.7247 65 L 4.0860 8.0360 119.9661 58.5292 41.7962 179.4734 66 K 4.0314 7.4140 115.9482 59.2453 32.0697 178.6816 67 A 4.2725 8.1502 117.5392 52.5154 19.2310 177.5994 68 V 4.4045 7.1382 115.8858 60.9827 31.4552 173.3010 69 S 4.3401 7.4687 117.4213 58.8733 67.2003 176.7982 *70 K 4.1215 8.5357 121.8553 55.2687 32.1496 171.8739 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 7 V 8.04 3.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.73 0.00 0.00 8 R 7.79 4.42 0.00 2.02 1.93 0.00 2.69 0.00 0.00 3.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.69 0.00 9 C 8.82 4.97 0.00 3.00 3.25 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 10 T 8.71 3.74 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 11 C 9.09 4.48 0.00 3.06 3.30 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 12 I 8.33 3.84 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 1.42 0.50 0.91 0.00 0.00 13 S 7.57 4.75 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.65 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 1.30 0.47 0.93 0.00 0.00 15 S 8.98 4.69 0.00 3.77 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 16 N 8.55 4.74 0.00 2.75 2.83 0.00 0.00 7.06 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 17 Q 7.37 4.21 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 18 P 0.00 4.56 0.00 2.04 1.97 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 19 V 8.01 3.97 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 0.77 0.00 0.00 0.93 0.00 0.00 20 N 8.56 4.57 0.00 2.76 2.71 0.00 0.00 6.89 7.71 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 21 P 0.00 4.27 0.00 2.21 2.22 0.00 3.71 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 2.00 2.03 0.00 22 R 7.90 4.52 0.00 1.79 1.97 0.00 3.18 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 23 S 9.18 4.58 0.00 3.95 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 24 L 7.58 4.46 0.00 1.71 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.55 4.26 0.00 2.07 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 0.00 2.32 2.27 0.00 26 K 7.80 4.77 0.00 1.81 1.82 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 27 L 8.40 5.11 0.00 1.60 1.54 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.29 4.71 0.00 1.92 1.82 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 2.24 2.26 0.00 29 I 8.26 4.42 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 0.61 0.91 0.00 0.00 30 I 8.52 4.31 1.88 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 1.29 1.18 0.92 0.00 0.00 31 P 0.00 4.67 0.00 2.08 2.08 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 32 A 8.55 4.68 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 S 9.11 4.91 0.00 3.84 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 34 Q 8.85 4.21 0.00 2.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 35 F 8.54 4.21 0.00 3.10 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 36 C 7.80 5.04 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.21 2.12 0.00 3.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 38 R 7.41 4.74 0.00 1.85 2.03 0.00 2.96 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 V 8.30 4.38 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 0.80 0.00 0.00 0.94 0.00 0.00 40 E 8.87 4.70 0.00 1.97 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 2.21 2.25 0.00 41 I 8.39 4.52 2.04 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 1.06 0.91 0.00 0.00 42 I 8.34 4.59 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 1.16 0.62 0.91 0.00 0.00 43 A 8.88 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.89 4.90 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 1.23 0.00 0.00 45 M 9.31 4.53 0.00 1.90 2.11 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 2.58 2.66 0.00 46 K 9.31 3.80 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.70 7.81 47 K 8.21 3.62 0.00 1.85 1.79 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 48 K 9.69 3.77 0.00 1.92 1.78 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.98 7.81 49 G 8.44 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 0.00 0.00 0.00 0.00 50 E 8.04 4.19 0.00 2.03 1.82 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 2.37 2.29 0.00 51 K 8.52 5.07 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 52 R 9.09 4.60 0.00 1.78 1.71 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 53 C 8.97 4.99 0.00 3.08 2.98 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 54 L 8.80 5.17 0.00 1.45 1.56 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.59 4.48 0.00 2.79 2.72 0.00 0.00 6.77 7.71 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 56 P 0.00 4.42 0.00 2.22 2.17 0.00 3.81 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 1.99 2.16 0.00 57 E 8.62 4.18 0.00 2.02 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 2.43 2.38 0.00 58 S 7.67 4.31 0.00 3.80 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 59 K 8.34 4.41 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 60 A 8.24 4.09 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 61 I 7.62 3.74 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 1.68 0.84 0.91 0.00 0.00 62 K 7.94 3.93 0.00 1.92 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 63 N 8.49 4.62 0.00 2.88 2.69 0.00 0.00 6.74 6.74 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 64 L 7.74 3.75 0.00 1.65 1.83 0.92 1.03 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 65 L 8.04 4.09 0.00 1.83 1.81 0.92 0.53 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 66 K 7.41 4.03 0.00 2.09 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.83 7.81 67 A 8.15 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 4.40 2.18 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 0.84 0.00 0.00 0.98 0.00 0.00 69 S 7.47 4.34 0.00 3.84 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 *70 K 8.54 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.