NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2916 8.1849 120.9901 55.3268 42.4439 175.9338 3 M 4.4389 7.6676 119.0165 53.3302 34.9288 169.4821 4 V 4.6855 8.9804 122.2570 62.0574 33.1470 175.1822 5 V 4.6654 8.7760 120.3624 58.6777 36.4068 173.5716 6 P 4.7508 0.0000 0.0000 62.2698 32.1375 177.5322 7 L 3.9263 8.8655 124.4554 58.2038 41.8051 179.5154 8 S 4.1765 8.1799 112.6395 60.7461 62.8024 175.1210 9 E 4.4617 8.1120 118.6890 56.4395 29.7381 176.0283 10 M 4.4173 7.8193 119.2834 54.5443 33.1347 175.6824 11 G 4.1393 10.1143 110.7085 42.4007 0.0000 171.2020 12 P 4.4557 0.0000 0.0000 64.4828 31.2210 176.3154 13 G 4.0673 9.2211 111.5913 45.3090 0.0000 173.6635 14 D 4.5610 8.2280 120.2600 54.3705 42.0392 175.6185 15 K 5.0108 8.3785 122.6982 55.0583 36.1698 174.8647 16 G 4.2342 8.5922 111.4453 46.0702 0.0000 171.4947 17 I 4.9880 8.2481 120.4434 58.9220 40.0869 175.9886 18 V 4.0912 8.6389 127.8429 63.6188 31.6920 176.5213 19 V 4.5875 8.8122 120.7122 61.6956 34.2645 175.6008 20 N 4.7498 7.8417 116.8671 52.5366 42.3375 172.8996 21 I 4.9008 8.3981 126.4286 59.6158 39.2261 174.8971 22 L 4.3351 8.8384 128.1248 54.2417 42.9509 177.3191 23 G 3.9574 8.9280 112.3521 45.8130 0.0000 174.2176 24 G 3.9508 8.3658 106.2511 44.5540 0.0000 174.6932 25 H 4.2395 8.7049 113.4176 58.7245 28.2552 177.4136 26 N 4.1883 7.7718 118.5457 55.8320 38.4378 177.0456 27 A 3.9330 7.8172 121.6287 55.3159 18.6222 179.5724 28 R 3.8538 7.8949 116.5501 59.6955 29.9192 179.3607 29 Q 4.0017 8.0933 116.7739 58.9131 28.7098 178.7213 30 K 4.0917 8.1512 119.5531 59.2596 32.0497 179.2801 31 L 4.1055 7.9251 119.3758 57.0780 41.7869 179.5508 32 V 3.6475 7.7609 118.9403 64.4100 31.0361 178.3057 33 S 4.2480 7.3831 114.9047 60.4308 61.2748 174.6250 34 M 3.1602 7.6221 120.9113 54.3562 32.1495 177.3302 35 G 3.5116 8.0051 106.2498 45.6676 0.0000 175.1399 36 L 4.3147 6.9278 120.1965 53.4899 40.4531 175.7568 37 T 4.6731 7.6706 116.5444 58.7103 70.8973 171.3714 38 P 4.6632 0.0000 0.0000 64.1087 31.6595 176.1613 39 G 4.0665 9.1345 111.8839 45.5449 0.0000 174.1726 40 A 4.2581 8.0588 121.4299 52.2701 19.6597 176.6294 41 T 5.0137 8.3623 116.6622 62.1096 70.6457 174.1919 42 I 4.8424 8.7869 125.2122 59.2334 41.8553 173.5284 43 Q 5.1186 8.9416 129.2969 54.2685 32.2878 174.0947 44 V 4.2634 8.8846 126.6777 62.4715 32.4573 176.0526 45 L 4.4242 9.0586 128.8205 56.5888 42.6993 176.7330 46 E 4.7486 7.9041 114.3851 55.4856 33.0832 174.6435 47 S 4.6479 8.4485 119.3592 57.8565 65.8436 175.0138 *50 M 4.4202 8.4720 118.2186 54.2715 32.8650 170.7285 51 G 4.1243 7.4748 106.5850 45.1951 0.0000 170.7244 52 P 4.7255 0.0000 0.0000 61.9196 33.1879 175.6294 53 I 4.3034 8.8289 121.2106 60.9694 38.6987 175.3098 54 I 4.9508 8.8309 128.0831 59.8428 38.8533 174.9489 55 I 5.0820 8.9815 120.4813 59.0341 41.5489 174.1966 56 S 5.1812 9.1124 117.4047 56.5645 65.3597 172.7767 57 V 4.5055 8.7743 126.8629 61.5043 34.5461 175.6290 58 G 4.0155 9.8684 115.7712 46.6939 0.0000 174.3659 59 G 3.8794 8.5482 105.8959 44.8476 0.0000 173.8575 60 V 4.2140 7.8160 120.6328 60.9266 33.8087 174.6029 61 R 4.8707 8.1189 126.4210 55.2351 31.3162 175.6921 62 F 5.1533 9.2469 121.2282 55.6999 43.7248 173.3792 63 A 5.2838 8.7435 122.0600 50.4964 21.0293 176.2041 64 I 4.5876 8.9362 121.9528 59.0405 41.8473 175.1503 65 G 4.0914 8.6291 117.0415 44.8978 0.0000 174.8589 66 K 4.0674 8.6366 120.5214 59.0030 31.7682 179.7040 67 G 3.6213 8.0340 105.2228 47.9193 0.0000 174.9173 68 L 4.0720 7.8401 122.5613 57.3797 42.4025 178.9248 69 A 4.1502 8.4836 121.0335 54.8068 18.0374 179.5788 70 G 3.7063 7.8456 102.9237 47.1724 0.0000 175.1458 71 R 4.5133 8.0014 119.1526 55.8130 30.4162 175.5869 72 V 4.4458 7.4050 120.1189 61.5791 32.7635 174.4193 73 M 4.6422 9.1206 129.6026 54.6785 33.4820 175.8335 74 V 4.7771 8.7828 123.4261 61.0142 35.1503 174.2235 75 R 4.6744 9.1034 129.5425 55.2579 30.6791 175.6522 76 K 4.4937 8.6332 127.1270 56.4786 32.9673 177.5335 77 L 4.3641 8.9240 123.2579 54.8810 41.4163 176.4575 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 2 L 8.18 4.29 0.00 1.77 1.84 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.67 4.44 0.00 2.03 2.00 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 2.60 2.55 0.00 4 V 8.98 4.69 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 0.79 0.00 0.00 0.93 0.00 0.00 5 V 8.78 4.67 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 6 P 0.00 4.75 0.00 2.17 2.12 0.00 3.61 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 2.11 2.07 0.00 7 L 8.87 3.93 0.00 1.70 1.92 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.18 4.18 0.00 4.04 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.11 4.46 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 10 M 7.82 4.42 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 11 G 10.11 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 12 P 0.00 4.46 0.00 2.19 2.19 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 1.99 1.98 0.00 13 G 9.22 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.23 4.56 0.00 2.70 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 15 K 8.38 5.01 0.00 1.79 1.59 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 16 G 8.59 4.23 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 0.00 17 I 8.25 4.99 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 1.12 0.72 0.91 0.00 0.00 18 V 8.64 4.09 2.24 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 0.87 0.00 0.00 0.93 0.00 0.00 19 V 8.81 4.59 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 0.76 0.00 0.00 0.97 0.00 0.00 20 N 7.84 4.75 0.00 2.80 2.59 0.00 0.00 7.07 8.14 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 21 I 8.40 4.90 1.86 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 1.33 1.02 0.90 0.00 0.00 22 L 8.84 4.34 0.00 1.46 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.93 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 0.00 0.00 0.00 24 G 8.37 3.95 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 0.00 0.00 0.00 25 H 8.70 4.24 0.00 3.36 3.54 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.77 4.19 0.00 2.63 2.82 0.00 0.00 7.04 7.30 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 27 A 7.82 3.93 1.34 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 0.00 0.00 28 R 7.89 3.85 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 29 Q 8.09 4.00 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 30 K 8.15 4.09 0.00 1.95 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 31 L 7.93 4.11 0.00 1.72 1.65 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.76 3.65 2.14 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 0.86 0.00 0.00 0.91 0.00 0.00 33 S 7.38 4.25 0.00 3.75 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 34 M 7.62 3.16 0.00 1.43 1.75 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.25 0.00 35 G 8.01 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.93 4.31 0.00 1.81 1.62 0.87 0.70 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 37 T 7.67 4.67 4.23 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 1.21 0.00 0.00 38 P 0.00 4.66 0.00 2.07 1.99 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 39 G 9.13 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.06 4.26 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 41 T 8.36 5.01 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 42 I 8.79 4.84 1.89 0.00 0.00 0.88 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 1.78 0.96 0.00 0.00 43 Q 8.94 5.12 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 44 V 8.88 4.26 2.24 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 0.84 0.00 0.00 0.94 0.00 0.00 45 L 9.06 4.42 0.00 1.64 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.90 4.75 0.00 1.99 1.99 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 2.27 2.35 0.00 47 S 8.45 4.65 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 M 8.47 4.42 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 51 G 7.47 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 0.00 0.00 0.00 0.00 52 P 0.00 4.73 0.00 2.22 2.09 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 1.98 2.01 0.00 53 I 8.83 4.30 1.89 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 1.24 0.62 1.00 0.00 0.00 54 I 8.83 4.95 1.88 0.00 0.00 0.88 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 0.95 0.97 0.00 0.00 55 I 8.98 5.08 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.95 0.00 0.00 56 S 9.11 5.18 0.00 3.85 3.72 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 57 V 8.77 4.51 2.38 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 1.13 0.00 0.00 1.06 0.00 0.00 58 G 9.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.21 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 0.39 0.00 0.00 0.89 0.00 0.00 61 R 8.12 4.87 0.00 1.58 1.75 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 62 F 9.25 5.15 0.00 2.90 2.81 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 0.00 0.00 0.00 63 A 8.74 5.28 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 64 I 8.94 4.59 1.87 0.00 0.00 0.83 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 1.11 0.97 0.00 0.00 65 G 8.63 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.64 4.07 0.00 1.90 1.87 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.07 7.81 67 G 8.03 3.62 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 0.00 0.00 0.00 68 L 7.84 4.07 0.00 1.75 1.66 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.48 4.15 1.41 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 0.00 0.00 70 G 7.85 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 71 R 8.00 4.51 0.00 2.00 2.15 0.00 3.09 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 72 V 7.41 4.45 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 1.04 0.00 0.00 0.91 0.00 0.00 73 M 9.12 4.64 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 74 V 8.78 4.78 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 75 R 9.10 4.67 0.00 1.94 1.94 0.00 3.20 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 76 K 8.63 4.49 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.60 7.81 77 L 8.92 4.36 0.00 1.56 1.56 0.93 0.92 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 * Residues marked with a * may have inaccurate shift predictions.