NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.2615 8.1749 110.9357 61.6859 70.1004 172.5451 17 S 4.4918 8.0737 117.3897 55.6790 64.7028 172.1232 18 P 4.2788 0.0000 0.0000 62.6220 32.6786 177.5686 19 S 3.9696 8.4067 116.9033 61.9823 62.3425 176.2648 20 Y 4.5657 7.1347 118.8097 60.1029 37.5175 178.2600 21 V 3.6959 7.8460 120.1924 65.6176 31.3433 177.8076 22 K 3.8243 7.5130 117.5931 59.4923 32.2509 178.2781 23 F 4.5277 7.6376 116.8798 57.8305 40.4686 176.2206 24 F 4.4336 8.3760 120.8169 56.2620 37.5699 175.5648 25 T 4.6429 7.1811 113.5922 60.2461 72.8718 175.8161 26 Q 4.0836 8.4699 120.6996 58.7695 28.8580 178.8598 27 S 4.0561 8.0146 114.1067 61.6101 62.4414 175.7026 28 N 4.3030 7.9380 119.0567 56.3267 38.0323 177.3713 29 L 3.9876 7.6823 119.5402 57.9311 41.7674 179.1642 30 E 4.1363 7.7767 117.1537 59.1783 29.8744 179.0355 31 K 4.1938 7.9460 117.1535 57.8823 32.1637 178.9954 32 L 3.9791 7.5052 121.7188 57.7130 42.1779 176.9330 33 P 4.2770 0.0000 0.0000 65.6241 31.2980 178.7617 34 K 4.2298 8.0039 116.6793 59.6307 32.2013 178.4211 35 Y 4.0898 7.9426 119.4171 60.9119 38.3877 178.5288 36 K 3.9367 8.1120 118.2344 59.3057 32.3711 179.0303 37 E 4.0380 7.7676 117.6484 59.3465 29.5473 179.0422 38 K 3.7947 7.8332 119.6016 59.5436 31.8667 178.6019 39 K 3.7918 7.5102 118.5149 58.8962 32.1598 178.1622 40 A 4.0838 7.6439 119.2156 53.5377 18.3389 178.2044 41 A 4.1230 7.4247 118.0743 51.8455 19.4199 176.8625 *57 E 3.9780 7.5416 117.5118 56.0310 30.8420 176.1470 58 E 4.6497 8.1655 127.4760 54.5745 29.9259 174.9998 59 I 4.0081 7.5568 119.8042 60.8697 38.2742 176.4753 60 T 4.5672 8.3575 112.9134 61.1368 70.1575 172.8192 61 C 4.5505 7.4997 115.3690 55.8971 32.6278 174.4088 62 A 3.7766 8.3904 120.7663 55.0523 17.8937 179.5192 63 L 3.7919 7.4160 116.5946 57.1698 41.4248 178.8265 64 D 4.4071 7.2145 118.2416 56.6741 40.7349 177.3217 65 Y 4.2688 7.2483 115.2657 58.8679 38.0454 175.6981 66 L 4.5062 7.1061 119.2039 54.2129 41.8277 176.3037 67 I 4.5644 7.3853 119.1836 58.8264 40.3578 173.4527 68 P 4.2977 0.0000 0.0000 61.8764 31.7163 174.5443 69 P 4.3800 0.0000 0.0000 62.2706 31.8637 173.9420 70 P 4.6091 0.0000 0.0000 61.4081 32.4382 176.2056 71 M 4.0450 8.3231 121.4102 54.6275 32.3321 175.0293 72 P 4.4355 0.0000 0.0000 62.4988 32.2198 176.6115 73 K 4.0997 8.5269 119.5600 58.9528 32.5795 177.4662 74 N 4.4701 8.1321 117.2597 52.8041 37.2960 174.7803 75 Q 4.2628 8.7378 123.5030 56.3965 28.9548 177.2982 76 Q 4.1071 7.9059 115.1812 58.8723 28.7732 176.4509 77 Y 4.3151 7.8149 115.1104 58.5375 38.0804 175.1861 78 R 4.3578 7.7319 121.1152 54.5380 31.1815 175.9199 79 A 4.0835 8.4318 128.0810 52.3605 18.8695 177.6027 80 F 4.4989 8.5108 117.0131 58.6388 39.0795 175.7600 81 G 3.7734 5.7948 106.8051 45.5884 0.0000 172.1308 82 S 4.2511 8.4844 114.9820 56.4493 66.2311 173.5274 83 I 4.3886 7.6270 123.7411 59.4278 39.3337 175.6904 84 W 4.4198 8.8800 124.4024 56.7739 29.2994 175.8835 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 16 T 8.17 4.26 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 17 S 8.07 4.49 0.00 3.92 3.79 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 18 P 0.00 4.28 0.00 2.31 2.07 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 19 S 8.41 3.97 0.00 3.79 3.93 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 0.00 0.00 0.00 0.00 20 Y 7.13 4.57 0.00 3.28 3.29 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 0.00 21 V 7.85 3.70 2.05 0.00 0.00 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 0.97 0.00 0.00 22 K 7.51 3.82 0.00 1.64 1.66 0.00 1.28 0.00 0.00 1.24 0.00 0.00 2.22 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.31 7.81 23 F 7.64 4.53 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.43 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 25 T 7.18 4.64 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 1.23 0.00 0.00 26 Q 8.47 4.08 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 27 S 8.01 4.06 0.00 3.89 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 28 N 7.94 4.30 0.00 2.65 2.74 0.00 0.00 7.14 7.12 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 29 L 7.68 3.99 0.00 1.89 1.76 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.78 4.14 0.00 2.13 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 2.35 2.58 0.00 31 K 7.95 4.19 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.70 7.81 32 L 7.51 3.98 0.00 1.82 1.81 0.96 1.11 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 33 P 0.00 4.28 0.00 2.21 2.10 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 34 K 8.00 4.23 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 35 Y 7.94 4.09 0.00 3.14 3.13 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 36 K 8.11 3.94 0.00 1.98 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.75 7.81 37 E 7.77 4.04 0.00 2.11 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 2.31 2.62 0.00 38 K 7.83 3.79 0.00 1.78 1.79 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.36 7.81 39 K 7.51 3.79 0.00 1.48 1.60 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.21 7.81 40 A 7.64 4.08 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 7.42 4.12 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 *57 E 7.54 3.98 0.00 1.96 1.91 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 2.18 2.28 0.00 58 E 8.17 4.65 0.00 1.88 1.77 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 2.16 2.29 0.00 59 I 7.56 4.01 1.74 0.00 0.00 0.37 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 0.79 0.28 0.00 0.00 60 T 8.36 4.57 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 61 C 7.50 4.55 0.00 3.01 3.02 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 62 A 8.39 3.78 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 63 L 7.42 3.79 0.00 0.81 0.66 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.21 4.41 0.00 2.40 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 65 Y 7.25 4.27 0.00 2.76 2.92 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 66 L 7.11 4.51 0.00 1.54 1.53 0.64 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.39 4.56 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.90 0.00 0.00 68 P 0.00 4.30 0.00 2.02 1.99 0.00 3.69 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 2.04 2.11 0.00 69 P 0.00 4.38 0.00 2.09 1.97 0.00 3.71 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 1.92 1.91 0.00 70 P 0.00 4.61 0.00 2.01 1.96 0.00 3.61 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 1.94 2.04 0.00 71 M 8.32 4.04 0.00 1.97 1.98 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 2.58 2.46 0.00 72 P 0.00 4.44 0.00 1.96 1.92 0.00 3.43 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.75 0.00 73 K 8.53 4.10 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.38 7.81 74 N 8.13 4.47 0.00 2.91 3.04 0.00 0.00 5.92 7.10 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 75 Q 8.74 4.26 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 76 Q 7.91 4.11 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 77 Y 7.81 4.32 0.00 3.18 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 78 R 7.73 4.36 0.00 1.83 1.97 0.00 3.29 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 79 A 8.43 4.08 1.15 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 80 F 8.51 4.50 0.00 3.15 3.21 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 0.00 0.00 0.00 0.00 81 G 5.79 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 0.00 0.00 0.00 82 S 8.48 4.25 0.00 3.73 2.82 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 0.00 0.00 0.00 83 I 7.63 4.39 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.92 0.00 0.00 84 W 8.88 4.42 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.