NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5060 8.2893 120.3262 54.9541 33.5021 174.3064 2 P 3.9994 0.0000 0.0000 63.4815 31.2958 176.4911 3 R 4.7824 5.8400 110.5384 53.8869 36.8989 175.8902 4 L 5.0605 8.6860 123.3173 53.1209 45.3842 174.8350 5 K 5.5912 9.0485 127.1279 54.0308 35.0184 175.0632 6 V 4.7696 8.2561 119.0681 59.4085 36.1902 174.1314 7 K 5.4449 8.1275 125.3175 53.5644 34.4016 174.8517 8 L 4.2390 8.5543 130.7149 55.7597 42.3709 177.1603 9 V 4.3839 8.4663 119.2912 60.8463 33.2446 175.7257 10 K 4.5139 7.6139 121.6541 54.7492 34.5897 174.9643 11 S 4.6351 8.1562 113.4131 55.7919 65.5239 172.2653 12 P 4.1775 0.0000 0.0000 66.3643 31.2826 175.8413 13 I 3.4645 7.1249 120.5172 64.1568 34.9465 174.8730 14 G 4.0854 9.6168 115.4579 45.5911 0.0000 171.2923 15 Y 4.5880 7.6215 114.6011 54.5886 42.2078 173.6964 16 P 4.2057 0.0000 0.0000 63.6463 32.1466 177.2350 17 K 4.0839 8.8429 123.2035 59.6737 31.8596 178.0840 18 D 4.4039 8.2767 118.6304 57.2755 38.8721 178.5641 19 Q 3.7766 8.0665 119.6436 58.5183 28.7519 179.7954 20 K 4.0204 7.9654 118.5501 59.3083 32.1137 179.0505 21 A 4.0885 8.2666 120.9212 54.5826 18.1943 179.4835 22 A 3.9558 8.9885 120.6093 54.8200 18.3556 179.6743 23 L 4.0280 7.6078 117.5457 57.4346 41.7671 179.2506 24 K 4.1371 7.9346 118.4080 59.0690 32.1054 178.5725 25 A 4.1222 8.0633 121.0050 54.7527 19.4617 179.2378 26 L 4.3472 7.6397 116.8720 56.8301 39.5323 177.1325 27 G 4.1085 7.5860 100.1212 46.1972 0.0000 172.8330 28 L 4.7118 7.6358 119.5110 53.8539 42.9745 176.3318 29 R 4.4339 8.5213 118.7126 57.6518 33.4987 176.1633 30 R 4.4611 7.6948 113.6918 54.5132 32.4124 175.0961 31 L 4.4126 8.1222 120.1393 54.4660 44.0221 175.6986 32 Q 3.4406 8.6395 119.3170 56.7198 26.3298 172.6587 33 Q 4.5121 7.3473 117.9968 54.4428 33.0925 173.6386 34 E 4.9108 8.8662 125.8651 55.1827 31.5309 175.5089 35 R 4.3695 8.9970 124.1711 54.6445 32.8519 175.2197 36 V 4.7242 8.4236 122.3936 60.1179 29.9672 175.4415 37 L 4.6282 8.2421 125.0808 53.6226 43.5171 176.5260 38 E 4.3106 8.6583 120.5750 56.5027 30.7383 175.8205 39 D 4.9810 8.5620 123.2292 52.8218 41.6372 174.8966 40 T 4.7063 8.3232 114.5110 59.7827 72.0110 174.2394 41 P 4.4968 0.0000 0.0000 65.3503 31.8057 178.1148 42 A 4.0069 7.9043 118.6793 54.2420 18.4213 179.0354 43 I 4.0298 9.0504 118.6874 64.0764 37.3783 178.3150 44 R 4.0079 8.0662 118.3891 59.3308 29.5694 178.6363 45 G 3.8146 8.0939 104.8467 48.4751 0.0000 175.0900 46 N 4.4382 8.1143 118.5134 55.6873 38.6115 177.5671 47 V 3.5384 7.8880 119.0862 66.3934 31.7903 177.7825 48 E 4.0927 9.3429 118.8014 59.1693 29.1078 179.1967 49 K 4.0073 8.1952 118.8973 59.3935 32.4158 178.3731 50 V 3.9124 7.4530 110.3632 61.1426 30.7772 177.4369 51 A 3.8612 7.5278 125.9462 55.8681 18.1651 179.8697 52 H 4.5378 7.7390 106.9646 56.3400 29.1996 175.1515 53 L 4.3552 8.9294 121.3998 55.8561 43.3916 176.4020 54 V 4.5699 6.7922 113.4070 60.8947 33.4886 175.5105 55 R 4.2559 8.2364 126.1536 55.0145 30.1009 176.2912 56 V 3.7667 8.2675 124.2981 62.6157 32.8104 174.5312 57 E 5.5835 7.6261 126.7673 55.9534 33.9113 176.1810 58 V 4.3685 8.3718 121.4647 61.3971 32.6176 176.0910 59 V 4.3265 8.6982 125.6132 62.3462 35.5387 174.5615 *60 E 4.1603 8.6806 121.4044 56.2394 30.3181 175.1095 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 1 M 8.29 4.51 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.00 0.00 2.25 1.91 0.00 3.73 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 1.97 2.04 0.00 3 R 5.84 4.78 0.00 1.94 1.78 0.00 3.06 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 4 L 8.69 5.06 0.00 1.95 1.44 1.03 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.05 5.59 0.00 1.81 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.21 7.81 6 V 8.26 4.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.91 0.00 0.00 7 K 8.13 5.44 0.00 1.91 1.64 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.17 7.81 8 L 8.55 4.24 0.00 1.70 1.53 1.01 0.99 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 9 V 8.47 4.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 10 K 7.61 4.51 0.00 1.75 1.65 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.27 7.81 11 S 8.16 4.64 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 4.18 0.00 2.23 2.08 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 13 I 7.12 3.46 1.92 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 1.37 0.35 0.95 0.00 0.00 14 G 9.62 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 15 Y 7.62 4.59 0.00 3.09 2.87 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 16 P 0.00 4.21 0.00 2.27 2.03 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 17 K 8.84 4.08 0.00 1.78 1.88 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.51 7.81 18 D 8.28 4.40 0.00 2.88 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 19 Q 8.07 3.78 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 20 K 7.97 4.02 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.71 7.81 21 A 8.27 4.09 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 22 A 8.99 3.96 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 23 L 7.61 4.03 0.00 1.86 1.69 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.93 4.14 0.00 1.76 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 8.06 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.35 0.00 1.56 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.59 4.11 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 0.00 0.00 0.00 28 L 7.64 4.71 0.00 1.85 1.58 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.52 4.43 0.00 1.68 1.88 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 1.55 1.72 0.00 30 R 7.69 4.46 0.00 1.78 1.87 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 31 L 8.12 4.41 0.00 1.58 1.54 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.64 3.44 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 33 Q 7.35 4.51 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 34 E 8.87 4.91 0.00 1.88 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 2.25 2.28 0.00 35 R 9.00 4.37 0.00 1.82 1.73 0.00 3.12 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 36 V 8.42 4.72 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 0.93 0.00 0.00 37 L 8.24 4.63 0.00 1.67 1.78 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.66 4.31 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 39 D 8.56 4.98 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 40 T 8.32 4.71 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 41 P 0.00 4.50 0.00 2.21 2.10 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 42 A 7.90 4.01 1.29 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 0.00 0.00 43 I 9.05 4.03 1.94 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 1.65 1.16 0.90 0.00 0.00 44 R 8.07 4.01 0.00 1.84 1.99 0.00 3.15 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 45 G 8.09 3.81 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 0.00 0.00 0.00 46 N 8.11 4.44 0.00 2.81 2.86 0.00 0.00 6.54 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 47 V 7.89 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 0.81 0.00 0.00 0.95 0.00 0.00 48 E 9.34 4.09 0.00 2.31 1.98 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 2.46 2.41 0.00 49 K 8.20 4.01 0.00 1.71 2.00 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 50 V 7.45 3.91 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 0.84 0.00 0.00 0.86 0.00 0.00 51 A 7.53 3.86 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 52 H 7.74 4.54 0.00 3.26 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.93 4.36 0.00 1.67 1.56 0.73 0.38 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 54 V 6.79 4.57 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 0.83 0.00 0.00 0.87 0.00 0.00 55 R 8.24 4.26 0.00 1.82 1.87 0.00 3.19 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 56 V 8.27 3.77 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 0.72 0.00 0.00 0.96 0.00 0.00 57 E 7.63 5.58 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 2.05 2.04 0.00 58 V 8.37 4.37 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 0.70 0.00 0.00 0.93 0.00 0.00 59 V 8.70 4.33 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 0.83 0.00 0.00 0.93 0.00 0.00 *60 E 8.68 4.16 0.00 1.77 1.75 0.00 0.00 0.00 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.