NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3532 8.1233 123.5824 51.8093 20.5062 179.3258 5 L 3.7783 8.1597 122.2912 58.9938 41.6862 177.2510 6 L 3.8718 8.0727 118.6620 57.6527 42.0253 179.1855 7 R 3.8939 7.8744 118.1191 59.6106 30.2225 178.4659 8 Q 3.9546 8.7776 118.0263 58.7741 28.6973 178.5091 9 A 3.6621 8.7226 122.9614 55.1397 18.3815 178.8800 10 Y 3.9084 8.0063 117.9672 61.1238 38.6822 178.6824 11 S 3.9838 7.9171 114.1557 61.4317 63.0228 176.1384 12 A 4.1757 7.8409 122.0761 53.6006 18.7541 177.7725 13 L 4.4323 7.9479 115.9497 56.5657 43.2555 178.7279 14 F 5.0448 7.4915 113.8891 59.1441 39.0343 176.8082 15 R 3.6357 7.2710 121.4979 58.8027 30.4973 176.9706 16 R 4.1071 7.5868 115.8748 56.1606 31.5748 178.0294 17 T 3.9594 8.5673 120.5945 66.3480 68.8772 176.8214 18 S 4.2992 8.0140 116.3080 61.8358 63.3473 176.5349 19 T 3.9258 7.9501 113.9118 64.0455 68.4639 175.8331 20 F 4.2754 8.7259 124.6814 60.4485 39.4918 177.0607 21 A 4.1532 8.1177 120.2903 55.2074 18.2863 179.6400 22 L 4.0078 7.9295 117.0429 58.2117 41.6974 179.7536 23 T 3.8877 8.0581 115.8719 66.5525 68.3388 176.9607 24 V 3.5068 7.4993 119.7008 65.4449 31.3892 178.4241 25 V 3.5362 7.5549 117.8996 66.0586 31.4611 178.0842 26 L 4.1007 8.0771 118.8361 57.5476 41.4149 179.8480 27 G 3.5972 8.2867 105.6209 47.8227 0.0000 175.6247 28 A 4.1178 7.9973 123.6849 54.6168 18.4223 179.8232 29 V 3.5539 8.0365 116.8421 66.2924 31.6709 178.3516 30 L 4.0288 8.3059 119.0100 57.6405 41.3895 179.1727 31 F 4.0833 8.8361 120.9832 61.3059 39.3096 176.4285 32 E 4.1618 8.7420 119.2203 59.4475 29.5423 178.4229 33 R 3.8351 7.8508 117.6454 59.6759 30.1316 178.2826 34 A 3.9252 7.9208 120.0938 55.1552 18.3532 179.4103 35 F 3.8132 8.5715 120.2852 61.2036 39.3271 177.1052 36 D 4.1603 8.4833 118.9538 57.4732 40.7242 178.4812 37 Q 4.0596 7.8865 118.0962 59.0454 28.6820 179.6524 38 G 3.4262 8.0230 106.1190 47.7805 0.0000 175.6293 39 A 3.7798 7.6259 123.8847 54.7880 18.3015 179.4982 40 D 4.3606 8.5611 117.5252 57.2370 40.7517 178.8421 41 A 3.9582 7.9546 121.4768 55.2807 18.6147 179.4021 42 I 3.5891 7.9434 118.1490 64.7199 36.9711 178.4743 43 F 4.1252 8.0648 120.2219 61.4845 39.6846 176.9713 44 E 3.9991 8.3475 118.2410 59.5023 28.9591 178.9144 45 H 4.0975 8.9229 118.8031 59.1212 29.8104 176.8733 46 L 4.2770 7.5385 117.4521 56.0286 41.6211 177.0286 47 N 4.9410 7.6697 116.6389 52.3780 40.0974 173.8043 48 E 3.8863 7.5314 117.3250 58.3758 29.8231 178.2822 49 G 3.9523 7.8369 110.0073 45.7282 0.0000 174.0678 50 K 4.4029 8.0660 117.9147 56.7791 33.7430 176.9886 51 L 4.4417 7.5012 118.3706 53.4143 42.6661 177.5224 52 W 4.3430 8.7951 130.0793 60.2158 30.2634 178.2142 53 K 3.9079 8.0221 118.7327 59.7527 31.7214 177.8922 54 H 4.4817 8.0956 116.0237 58.7029 29.1164 177.5289 55 I 3.7233 7.9360 121.0732 64.8028 37.1302 179.1846 56 K 3.2627 7.1765 121.0005 58.8258 32.7900 177.0660 57 H 4.0120 8.0793 114.3389 58.6811 28.3466 177.2455 58 K 3.7102 7.5139 118.5543 58.8810 31.6836 177.3369 59 Y 4.5422 7.1205 113.0302 57.6091 38.9041 175.8350 60 E 4.1455 7.5108 121.6643 56.5114 30.2256 176.8509 61 A 4.4905 7.9639 126.6193 50.9019 19.2378 177.5679 62 S 4.0734 8.2490 120.1522 61.9831 63.9440 174.8710 *63 E 4.1354 8.0104 122.3022 55.2400 30.1640 177.8479 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 A 8.12 4.35 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 5 L 8.16 3.78 0.00 1.79 1.73 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.07 3.87 0.00 1.71 1.77 0.95 0.91 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 7 R 7.87 3.89 0.00 1.88 2.11 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 8 Q 8.78 3.95 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 9 A 8.72 3.66 0.99 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 0.00 0.00 10 Y 8.01 3.91 0.00 3.23 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 11 S 7.92 3.98 0.00 3.92 3.92 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 12 A 7.84 4.18 1.27 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 0.00 0.00 0.00 13 L 7.95 4.43 0.00 1.13 1.64 0.73 0.99 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 14 F 7.49 5.04 0.00 3.02 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 15 R 7.27 3.64 0.00 1.39 1.69 0.00 3.08 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 16 R 7.59 4.11 0.00 1.90 1.85 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 17 T 8.57 3.96 4.22 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 1.16 0.00 0.00 18 S 8.01 4.30 0.00 4.07 4.13 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 19 T 7.95 3.93 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 1.22 0.00 0.00 20 F 8.73 4.28 0.00 3.29 3.23 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 21 A 8.12 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.93 4.01 0.00 1.83 1.74 0.93 0.78 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 23 T 8.06 3.89 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 1.22 0.00 0.00 24 V 7.50 3.51 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 0.96 0.00 0.00 0.76 0.00 0.00 25 V 7.55 3.54 2.22 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 1.06 0.00 0.00 0.96 0.00 0.00 26 L 8.08 4.10 0.00 1.79 1.71 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.29 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.55 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 1.05 0.00 0.00 1.00 0.00 0.00 30 L 8.31 4.03 0.00 1.78 1.75 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.84 4.08 0.00 3.18 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 32 E 8.74 4.16 0.00 2.31 2.13 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 2.58 2.42 0.00 33 R 7.85 3.84 0.00 1.94 2.06 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 34 A 7.92 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 35 F 8.57 3.81 0.00 1.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.16 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 4.06 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 38 G 8.02 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.56 4.36 0.00 2.81 2.74 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 41 A 7.95 3.96 1.38 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 0.00 0.00 0.00 42 I 7.94 3.59 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.94 0.00 0.00 43 F 8.06 4.13 0.00 3.08 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 44 E 8.35 4.00 0.00 2.12 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 0.00 2.47 2.83 0.00 45 H 8.92 4.10 0.00 3.19 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.54 4.28 0.00 1.65 1.61 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.67 4.94 0.00 2.36 2.56 0.00 0.00 6.88 7.68 0.00 0.00 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 E 7.53 3.89 0.00 1.80 1.79 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 2.21 2.30 0.00 49 G 7.84 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 50 K 8.07 4.40 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 51 L 7.50 4.44 0.00 1.44 1.58 0.91 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 52 W 8.80 4.34 0.00 3.41 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 53 K 8.02 3.91 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 54 H 8.10 4.48 0.00 3.24 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.94 3.72 1.78 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 1.72 1.20 1.11 0.00 0.00 56 K 7.18 3.26 0.00 0.83 1.26 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.19 7.81 57 H 8.08 4.01 0.00 3.29 3.51 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.51 3.71 0.00 0.79 1.07 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.05 7.81 59 Y 7.12 4.54 0.00 3.06 3.09 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 60 E 7.51 4.15 0.00 1.89 1.84 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 2.37 2.42 0.00 61 A 7.96 4.49 1.26 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 0.00 0.00 0.00 62 S 8.25 4.07 0.00 4.01 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 *63 E 8.01 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.