NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0289 8.1245 118.5499 58.3423 38.1066 174.8075 6 Q 3.6486 8.1187 116.9074 55.2235 24.1123 172.9344 7 I 4.0593 7.3874 122.9793 59.4593 38.7267 174.4226 8 P 4.4144 0.0000 0.0000 61.8405 31.7065 173.8573 9 P 4.4117 0.0000 0.0000 64.1257 31.6943 176.9135 10 G 4.0755 9.0067 111.8120 45.2205 0.0000 175.2183 11 L 3.9380 7.7354 120.5040 58.4190 42.0177 178.9444 12 T 3.9013 7.8950 109.1600 64.9411 68.3737 175.7574 13 E 3.9837 8.2490 121.1788 59.0700 29.5584 179.0450 14 L 4.2105 8.1725 118.8897 58.2198 41.7161 179.8209 15 L 4.3155 8.2356 118.5741 57.7534 41.5264 179.6384 16 Q 4.1173 8.5662 118.6134 58.6243 28.3385 178.6241 17 G 3.7429 8.3940 107.0165 48.0749 0.0000 174.9984 18 Y 2.8633 7.8490 122.3094 60.1301 38.7712 178.1644 19 T 3.5980 8.0715 116.9570 66.6530 68.6101 176.8955 20 V 3.5657 8.1366 121.2307 64.8860 31.2077 178.0913 21 E 4.0153 7.6649 117.6123 58.4942 29.3900 179.1449 22 V 3.0181 7.3482 118.4977 65.8751 31.3372 178.0291 23 L 3.8762 7.5119 117.1948 57.6358 41.4678 179.4320 24 R 3.9442 7.5827 117.5549 59.4835 30.3196 178.0901 25 Q 4.0237 8.2438 114.9720 55.4880 30.3227 175.8619 26 Q 3.1083 7.5084 118.3220 56.1284 25.8830 172.4063 27 P 4.3218 0.0000 0.0000 61.5781 32.6762 176.7210 28 P 4.3299 0.0000 0.0000 64.9249 31.7532 176.4157 29 D 4.7397 7.6630 115.0478 51.5732 43.9114 175.7829 30 L 4.2199 8.6510 127.5753 57.8466 41.7818 179.6747 31 V 3.6601 7.8263 117.7274 66.1036 31.6419 177.4552 32 D 4.4445 9.0355 119.0308 57.6341 40.6568 178.7953 33 F 4.2769 8.4851 120.7072 61.0853 39.3790 176.7182 34 A 4.1312 8.6510 120.8738 55.3357 18.2522 179.5068 35 V 3.5935 7.8441 116.3764 66.2571 31.5521 177.8155 36 E 3.8596 8.2875 118.7318 59.4229 29.4463 178.1635 37 Y 3.6159 8.2153 120.4778 60.7314 38.7775 178.0154 38 F 4.1164 8.0930 118.5278 60.4768 39.0061 177.9801 39 T 3.8624 7.8916 115.6389 66.6722 68.2431 176.9294 40 R 3.8404 7.7830 119.9727 58.9052 29.9706 178.7435 41 L 3.6826 7.7475 120.4993 58.1495 42.0108 178.9293 42 R 3.8344 8.0220 118.5822 59.5841 29.9922 178.0967 43 E 3.9011 8.1621 118.6229 58.9655 29.5872 178.4918 44 A 3.9618 8.3874 121.4360 55.0518 18.3890 179.5518 45 R 3.7891 8.1480 117.2124 59.7066 30.2387 178.6630 46 R 4.0116 8.1492 118.0486 59.4932 30.1239 179.2030 47 G 3.6465 8.1632 105.1287 47.8544 0.0000 175.7804 48 L 4.0438 8.0280 121.4824 57.6032 41.4221 179.4723 49 E 4.1184 8.3756 120.1387 60.0100 29.4277 179.3272 *50 H 4.4112 8.1151 118.6092 59.6206 28.1686 180.3696 51 H 4.4384 8.1586 122.0536 60.1085 29.7141 175.4029 *52 H 4.4462 7.6846 120.1865 54.6781 27.8849 177.0228 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 5 I 8.12 4.03 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 1.27 1.21 0.91 0.00 0.00 6 Q 8.12 3.65 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.93 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 7 I 7.39 4.06 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 1.47 1.22 0.92 0.00 0.00 8 P 0.00 4.41 0.00 2.21 2.18 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 9 P 0.00 4.41 0.00 2.07 2.05 0.00 3.65 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 2.03 2.08 0.00 10 G 9.01 4.08 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 0.00 0.00 0.00 11 L 7.74 3.94 0.00 1.81 1.68 0.91 0.65 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 12 T 7.90 3.90 4.27 0.00 0.00 0.00 0.00 0.00 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 13 E 8.25 3.98 0.00 2.28 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 0.00 2.44 2.51 0.00 14 L 8.17 4.21 0.00 2.03 1.94 0.95 0.81 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 15 L 8.24 4.32 0.00 1.94 1.84 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.57 4.12 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 17 G 8.39 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 0.00 0.00 0.00 18 Y 7.85 2.86 0.00 2.59 3.07 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 19 T 8.07 3.60 4.38 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 0.00 0.00 0.00 1.16 0.00 0.00 20 V 8.14 3.57 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 0.84 0.00 0.00 0.91 0.00 0.00 21 E 7.66 4.02 0.00 2.09 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 0.00 2.50 2.68 0.00 22 V 7.35 3.02 1.85 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 0.84 0.00 0.00 0.31 0.00 0.00 23 L 7.51 3.88 0.00 1.70 1.64 0.83 0.77 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 24 R 7.58 3.94 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 25 Q 8.24 4.02 0.00 1.59 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.25 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 26 Q 7.51 3.11 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 27 P 0.00 4.32 0.00 2.12 1.64 0.00 3.44 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.94 0.00 28 P 0.00 4.33 0.00 2.20 2.22 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 29 D 7.66 4.74 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.22 0.00 1.85 1.92 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.83 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 32 D 9.04 4.44 0.00 2.97 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 33 F 8.49 4.28 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.65 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.59 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 1.01 0.00 0.00 0.96 0.00 0.00 36 E 8.29 3.86 0.00 2.20 2.12 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 2.31 2.35 0.00 37 Y 8.22 3.62 0.00 1.92 2.35 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 38 F 8.09 4.12 0.00 3.09 2.99 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 39 T 7.89 3.86 4.34 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 1.20 0.00 0.00 40 R 7.78 3.84 0.00 1.80 1.84 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 41 L 7.75 3.68 0.00 1.17 1.62 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.02 3.83 0.00 1.99 2.07 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 43 E 8.16 3.90 0.00 2.08 2.15 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 2.28 2.30 0.00 44 A 8.39 3.96 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 45 R 8.15 3.79 0.00 1.94 2.13 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 46 R 8.15 4.01 0.00 2.06 1.98 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 47 G 8.16 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.03 4.04 0.00 1.87 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.38 4.12 0.00 2.08 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 0.00 2.35 2.44 0.00 *50 H 8.12 4.41 0.00 3.03 2.97 0.00 7.22 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.16 4.44 0.00 3.28 3.54 0.00 5.91 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 *52 H 7.68 4.45 0.00 3.11 2.81 0.00 7.29 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.