NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 R 4.2613 8.2544 119.7066 56.3418 29.7852 173.3735 -2 K 4.2587 7.9581 122.6383 56.0005 36.4326 176.9622 -1 L 4.1381 8.7566 118.2809 55.8426 40.5534 178.9980 -2 C 4.4887 7.9881 120.8383 58.0005 31.3326 174.9622 -1 S 4.2681 8.9066 112.1809 59.0426 61.9534 175.9980 3 L 4.5269 7.9010 122.7907 53.7384 41.5543 175.2202 4 D 4.4434 9.2278 128.6937 55.4464 39.8900 173.2679 5 N 4.5650 8.9527 110.2299 54.2199 37.5952 174.3728 6 G 3.6542 8.7996 101.2816 45.6421 0.0000 174.6213 7 D 4.5486 8.2914 116.0425 54.4166 40.3697 173.4543 8 C 4.6136 7.8804 114.4572 56.6634 41.0098 173.7439 9 D 4.4991 8.4976 122.9800 56.9497 42.0749 177.2825 10 Q 4.5178 7.3648 112.5954 55.4845 30.7567 179.4424 11 F 4.6454 6.7764 127.4781 58.8523 39.9887 172.3880 12 C 5.6436 8.9677 122.8362 55.0356 46.6023 172.6224 13 H 5.0974 8.9933 120.5636 54.0230 32.0636 172.3153 14 E 4.8864 8.8282 120.8919 54.6629 30.0740 175.4051 15 E 4.4284 8.7143 125.0752 55.5740 31.2101 176.7695 16 Q 3.0920 9.6465 125.3190 56.7922 26.4514 172.8660 17 N 4.2279 8.4423 116.1390 53.8235 39.6287 172.5086 18 S 4.2947 8.4700 114.2656 58.1898 63.7061 168.5449 19 V 4.1522 7.9734 124.5400 62.0312 32.9581 175.2935 20 V 4.3549 8.4289 125.9785 61.4783 34.2803 173.6988 21 C 5.5148 8.8388 125.1996 56.0119 41.8724 172.6720 22 S 4.7684 8.7554 114.9946 57.8082 66.7796 171.6372 23 C 4.6502 8.5105 115.9682 54.5846 38.6176 174.1216 24 A 4.5790 8.6878 123.4415 51.5706 18.7010 177.5508 25 R 4.1929 8.4710 118.9498 58.0982 30.5758 177.6671 26 G 4.0100 9.5008 109.8554 45.0974 0.0000 172.1330 27 Y 5.3367 7.6828 115.6681 56.2059 41.9696 175.0042 28 T 4.7485 9.0187 111.4243 59.4465 72.2197 173.0404 29 L 4.5005 8.6409 126.5321 55.2175 42.9231 176.5259 30 A 4.3283 9.0793 128.7085 51.4561 19.6001 177.9930 31 D 4.2728 8.7435 118.3768 57.6199 40.8472 177.8588 32 N 4.5029 8.2265 113.4228 52.6332 37.4330 174.9252 33 G 4.0834 8.1683 106.5599 46.7695 0.0000 174.3756 34 K 4.4863 8.7322 117.4348 57.6094 35.6089 177.0921 35 A 4.6598 8.2895 120.6482 52.0102 19.9913 176.5682 36 C 5.3673 8.9423 116.9070 55.2269 40.0539 173.7442 37 I 4.7029 8.7792 125.0481 58.6422 39.4014 173.5446 38 P 4.0953 0.0000 0.0000 63.0977 31.1368 176.7639 39 T 3.9423 9.0781 122.7354 66.6265 68.9308 174.5445 40 G 3.9207 7.2343 107.8048 44.1422 0.0000 170.1982 41 P 4.0553 0.0000 0.0000 63.6587 32.5853 175.3699 42 Y 3.6007 7.6697 115.7407 58.6589 34.5993 168.6586 43 P 4.3531 0.0000 0.0000 62.0562 32.7614 176.3489 44 C 4.3717 8.4287 114.9575 59.8082 29.9211 174.1881 45 G 3.9584 8.9091 108.6409 45.7427 0.0000 173.1648 46 K 4.6047 7.3616 118.9271 54.0575 33.9092 176.3264 47 Q 4.1102 8.6275 123.6417 55.7630 29.2517 176.0912 48 T 4.1542 8.4769 113.1713 61.7518 68.9749 174.3727 49 L 4.3270 8.4729 126.6424 55.6057 42.3891 175.9068 50 E 4.5215 7.7647 116.7113 56.2516 31.8817 176.1379 *51 R 4.1254 8.4451 116.5963 56.5296 30.1652 174.6640 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 -3 R 8.25 4.26 0.00 1.82 2.08 0.00 3.13 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 -2 K 7.96 4.26 0.00 1.84 1.66 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.52 7.81 -1 L 8.76 4.14 0.00 1.97 1.24 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 -2 C 7.99 4.49 0.00 2.93 2.84 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 0.00 0.00 0.00 -1 S 8.91 4.27 0.00 4.24 3.49 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 3 L 7.90 4.53 0.00 1.79 1.64 0.92 1.24 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 4 D 9.23 4.44 0.00 2.90 2.62 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 5 N 8.95 4.56 0.00 2.99 2.80 0.00 0.00 6.95 7.91 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 6 G 8.80 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 7 D 8.29 4.55 0.00 2.82 2.80 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 8 C 7.88 4.61 0.00 3.07 2.96 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 0.00 0.00 0.00 9 D 8.50 4.50 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.36 4.52 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 11 F 6.78 4.65 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.97 5.64 0.00 3.03 2.96 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 0.00 0.00 0.00 13 H 8.99 5.10 0.00 3.27 3.30 0.00 5.50 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.83 4.89 0.00 1.88 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 2.26 2.18 0.00 15 E 8.71 4.43 0.00 1.94 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 2.25 2.37 0.00 16 Q 9.65 3.09 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.05 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 17 N 8.44 4.23 0.00 2.85 2.82 0.00 0.00 7.30 7.63 0.00 0.00 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 S 8.47 4.29 0.00 4.09 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 19 V 7.97 4.15 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 0.78 0.00 0.00 0.92 0.00 0.00 20 V 8.43 4.35 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 0.89 0.00 0.00 0.90 0.00 0.00 21 C 8.84 5.51 0.00 3.00 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 22 S 8.76 4.77 0.00 4.05 4.10 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 23 C 8.51 4.65 0.00 2.80 2.84 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 0.00 0.00 0.00 24 A 8.69 4.58 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 25 R 8.47 4.19 0.00 1.90 1.95 0.00 3.22 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 26 G 9.50 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 0.00 0.00 0.00 27 Y 7.68 5.34 0.00 2.90 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 28 T 9.02 4.75 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 29 L 8.64 4.50 0.00 1.68 1.64 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.08 4.33 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 31 D 8.74 4.27 0.00 2.68 2.75 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 0.00 0.00 0.00 32 N 8.23 4.50 0.00 2.80 2.92 0.00 0.00 6.00 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 33 G 8.17 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 34 K 8.73 4.49 0.00 1.75 1.92 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.58 7.81 35 A 8.29 4.66 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 36 C 8.94 5.37 0.00 2.61 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.78 4.70 1.90 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 1.39 0.93 0.92 0.00 0.00 38 P 0.00 4.10 0.00 1.78 1.66 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 T 9.08 3.94 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 1.18 0.00 0.00 40 G 7.23 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 0.00 0.00 0.00 41 P 0.00 4.06 0.00 1.94 1.88 0.00 3.89 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 2.02 1.97 0.00 42 Y 7.67 3.60 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 1.57 1.72 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 44 C 8.43 4.37 0.00 3.20 3.08 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 45 G 8.91 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.36 4.60 0.00 1.72 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.60 7.81 47 Q 8.63 4.11 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.48 4.15 4.40 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 1.38 0.00 0.00 49 L 8.47 4.33 0.00 1.64 1.77 0.97 0.93 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 50 E 7.76 4.52 0.00 2.04 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 0.00 2.13 2.25 0.00 *51 R 8.45 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.