NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9458 8.3544 109.7377 45.1758 0.0000 173.3372 5 Q 3.8592 8.9249 128.0931 57.0616 29.2966 174.7482 6 S 4.7882 8.0324 110.8539 56.3484 65.9620 172.6714 7 L 4.4710 8.3097 126.9883 56.7109 43.1018 178.1348 8 Q 3.8855 7.9819 119.0165 59.3319 28.8325 177.8319 9 D 4.3464 7.8757 118.1201 57.2409 41.2511 176.6819 10 P 4.3062 0.0000 0.0000 65.1715 31.4812 178.4827 11 F 4.0257 8.1569 119.3708 61.3687 39.3217 177.2248 12 L 3.8263 8.0528 118.6820 57.6445 41.2552 179.0067 13 N 4.4684 8.3300 116.8757 56.7027 38.8198 176.7485 14 A 3.9774 8.2891 122.5032 55.1377 18.5830 179.6023 15 L 3.7734 7.5389 117.1074 57.7266 41.7434 179.8403 16 R 4.1656 8.1436 120.0527 58.8891 29.9124 178.2026 17 R 3.8737 8.1036 117.9181 59.6354 29.9592 177.3102 18 E 4.1245 8.2750 114.0648 56.4951 29.9439 176.6384 19 R 3.7962 7.3871 116.6670 57.1065 28.1995 176.8373 20 V 3.9542 7.4702 109.8363 60.2822 32.7878 175.8536 21 P 4.5701 0.0000 0.0000 62.9023 32.6239 175.8086 22 V 4.9662 9.0404 116.7138 59.6754 36.5319 174.4136 23 S 5.0803 8.9849 117.8235 56.8650 65.9070 173.4361 24 I 4.8677 8.8992 126.1339 59.7950 39.4500 174.2563 25 Y 4.7318 9.1009 126.4202 57.2302 39.3182 175.7099 26 L 4.9725 9.0062 124.5203 53.3213 43.7690 178.3500 27 V 3.6676 8.7797 114.5285 63.9094 31.4730 177.2815 28 N 4.5981 8.0735 115.2974 52.7321 37.8301 175.4772 29 G 4.1408 8.2705 107.9489 45.4646 0.0000 174.4633 30 I 3.9027 8.1616 120.8780 61.4337 38.2472 175.0036 31 K 4.7093 8.5180 126.4062 54.5276 34.3300 174.9906 32 L 4.8740 8.7055 126.4760 53.1353 44.8817 175.4269 33 Q 5.3901 8.8588 119.1158 53.0036 33.1452 176.3655 34 G 3.7235 7.5149 106.2278 45.2010 0.0000 171.5033 35 Q 4.9259 7.8410 118.8193 53.9675 32.4122 175.7318 36 I 4.3504 8.2113 123.2566 61.1535 37.3103 176.2695 37 E 3.9921 9.0974 129.8374 58.9204 30.2999 176.2612 38 S 4.5256 7.6443 111.4704 58.0359 65.2761 172.5877 39 F 5.0549 7.4474 115.1042 56.3562 38.9440 173.0249 40 D 4.6194 8.4914 120.0543 52.2185 41.9024 175.1226 41 Q 4.0281 8.8284 118.4348 58.9696 28.9769 178.0935 42 F 5.0176 7.9705 114.7507 57.1932 41.4243 174.8308 43 V 5.1072 8.5275 113.0394 59.4918 36.4298 174.4776 44 I 5.0220 8.7194 121.7341 59.7166 41.2079 174.7726 45 L 4.9173 9.2680 127.2589 53.3742 43.2605 175.0888 46 L 5.0506 8.6618 126.9332 53.1490 44.3610 174.8647 47 K 5.0657 8.7989 127.6422 53.9580 34.9944 173.1877 48 N 4.5965 8.3879 128.9788 53.5114 45.3818 175.5066 49 T 3.9955 9.1652 110.8566 66.0025 68.2771 173.8252 50 V 4.4824 7.3764 112.0477 59.0858 35.2232 174.4791 51 S 4.8411 8.5075 117.6264 58.2355 63.3542 173.9213 52 Q 4.6677 9.0666 123.8052 54.5095 31.3627 174.2714 53 M 4.7452 8.5367 121.7832 54.3834 33.4517 174.9133 54 V 4.3404 8.5799 127.3439 61.2795 33.9541 174.4191 55 Y 4.5459 8.5191 125.8512 57.1810 38.7198 176.5489 56 K 3.9487 9.1044 125.3743 59.8152 32.3613 178.8038 57 H 4.2791 8.3446 112.3535 57.4575 28.6724 175.5644 58 A 4.5884 8.1930 122.6171 52.1555 19.7105 176.3638 59 I 4.6790 7.7165 117.8967 60.3803 38.4467 175.4944 60 S 4.6532 9.3293 120.0460 60.2267 64.2815 174.4088 61 T 4.6645 7.7525 113.9013 60.0851 70.9571 172.1044 62 V 4.7304 8.4462 127.2755 61.3410 33.4142 174.9283 63 V 4.4458 8.9666 129.5022 60.4317 32.6893 173.1307 64 P 4.7860 0.0000 0.0000 62.6483 32.1562 177.6128 65 S 4.3880 8.8308 117.4731 59.8549 63.5039 173.9904 66 R 4.5734 7.4382 115.9374 54.3018 32.1290 172.8802 67 P 4.1839 0.0000 0.0000 63.1797 31.7098 176.4350 68 V 4.2555 8.0270 120.9492 60.7734 33.0943 175.3011 69 S 4.0588 8.7982 125.6971 61.9170 63.3176 174.6944 *70 H 4.5154 8.0415 121.0919 54.5305 28.4136 175.6788 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 4 G 8.35 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 5 Q 8.92 3.86 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 6 S 8.03 4.79 0.00 3.84 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 7 L 8.31 4.47 0.00 1.75 1.55 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.98 3.89 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 9 D 7.88 4.35 0.00 2.90 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 10 P 0.00 4.31 0.00 2.25 2.12 0.00 3.84 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 2.14 2.17 0.00 11 F 8.16 4.03 0.00 3.12 3.10 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 0.00 0.00 0.00 0.00 12 L 8.05 3.83 0.00 0.70 0.68 0.39 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.33 4.47 0.00 3.21 2.97 0.00 0.00 7.11 7.74 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 14 A 8.29 3.98 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 15 L 7.54 3.77 0.00 1.78 1.61 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.14 4.17 0.00 2.04 2.16 0.00 3.23 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 17 R 8.10 3.87 0.00 1.81 2.18 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 18 E 8.27 4.12 0.00 1.99 1.95 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 2.47 2.38 0.00 19 R 7.39 3.80 0.00 1.95 1.97 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 20 V 7.47 3.95 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 0.58 0.00 0.00 0.85 0.00 0.00 21 P 0.00 4.57 0.00 2.06 1.96 0.00 3.52 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.04 4.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 23 S 8.98 5.08 0.00 3.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.90 4.87 1.84 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 1.26 0.64 0.93 0.00 0.00 25 Y 9.10 4.73 0.00 2.92 2.91 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 26 L 9.01 4.97 0.00 1.76 1.70 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.78 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 28 N 8.07 4.60 0.00 2.83 2.95 0.00 0.00 6.33 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.27 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 30 I 8.16 3.90 2.03 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 1.25 0.82 0.90 0.00 0.00 31 K 8.52 4.71 0.00 1.25 1.43 0.00 1.26 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.92 0.34 7.81 32 L 8.71 4.87 0.00 1.50 1.47 0.97 0.79 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 33 Q 8.86 5.39 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 34 G 7.51 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 0.00 0.00 0.00 35 Q 7.84 4.93 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.21 4.35 1.89 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 1.25 0.79 1.04 0.00 0.00 37 E 9.10 3.99 0.00 1.99 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 0.00 2.31 2.25 0.00 38 S 7.64 4.53 0.00 3.79 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 39 F 7.45 5.05 0.00 3.24 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 40 D 8.49 4.62 0.00 2.84 2.73 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 41 Q 8.83 4.03 0.00 1.77 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 42 F 7.97 5.02 0.00 3.42 3.18 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 0.00 0.00 0.00 0.00 43 V 8.53 5.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.94 0.00 0.00 44 I 8.72 5.02 1.89 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 1.29 0.84 0.95 0.00 0.00 45 L 9.27 4.92 0.00 1.74 1.60 0.97 0.29 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 46 L 8.66 5.05 0.00 1.76 1.50 0.90 0.36 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 47 K 8.80 5.07 0.00 1.87 1.61 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.39 4.60 0.00 2.64 1.78 0.00 0.00 7.19 7.55 0.00 0.00 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 T 9.17 4.00 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 50 V 7.38 4.48 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 51 S 8.51 4.84 0.00 3.75 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 52 Q 9.07 4.67 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 53 M 8.54 4.75 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.10 0.00 54 V 8.58 4.34 2.07 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 1.01 0.00 0.00 0.92 0.00 0.00 55 Y 8.52 4.55 0.00 2.94 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.10 3.95 0.00 1.93 1.94 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.49 1.56 7.81 57 H 8.34 4.28 0.00 3.29 3.56 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.19 4.59 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 59 I 7.72 4.68 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.98 0.00 0.00 60 S 9.33 4.65 0.00 3.84 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 61 T 7.75 4.66 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 1.25 0.00 0.00 62 V 8.45 4.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 63 V 8.97 4.45 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.12 0.00 0.00 64 P 0.00 4.79 0.00 2.25 1.88 0.00 3.76 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 65 S 8.83 4.39 0.00 3.90 4.01 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 0.00 0.00 0.00 0.00 66 R 7.44 4.57 0.00 2.09 1.89 0.00 3.08 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 67 P 0.00 4.18 0.00 2.06 2.05 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 68 V 8.03 4.26 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 0.74 0.00 0.00 0.86 0.00 0.00 69 S 8.80 4.06 0.00 4.01 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 *70 H 8.04 4.52 0.00 2.70 2.92 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.