NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4318 8.3349 115.4127 58.0990 64.4595 173.4188 4 I 4.1968 7.4652 120.3345 60.1444 38.9963 172.9169 5 E 4.1210 9.4143 125.6688 56.0933 30.9248 176.3573 6 I 4.3069 7.9909 124.2560 58.5649 38.1105 173.3000 7 P 4.3764 0.0000 0.0000 62.0695 32.0014 177.7327 8 L 4.0092 8.8383 123.7079 58.4077 41.6779 178.9244 9 H 4.0232 8.4035 117.3549 59.1777 29.4217 176.9414 10 E 4.0216 8.5866 120.7016 59.2561 29.5880 178.5685 11 I 3.6838 7.8342 119.3672 64.9443 37.1231 177.7845 12 I 3.6231 7.8696 120.0664 64.5246 36.8391 178.1044 13 R 4.6244 7.9132 120.0912 58.9067 29.7733 178.5245 14 K 3.9744 8.4155 119.4607 59.5728 32.3533 178.7915 15 L 3.9876 7.9821 119.1794 57.7280 41.3733 179.2094 16 E 3.9269 8.5883 118.9800 59.6943 29.5170 179.6095 17 R 3.8984 7.6428 117.6287 59.7388 30.2228 178.7662 18 M 3.9178 8.1006 118.2613 58.7884 31.9508 178.6650 19 N 4.2882 8.1571 116.6939 56.7601 39.1583 177.0502 20 Q 4.2190 7.7074 120.7847 58.4083 28.7097 178.6579 21 K 3.8296 7.9058 119.3917 59.7170 32.2500 179.2678 22 K 4.0223 8.0717 119.4479 59.2571 31.5600 178.9943 23 Q 4.0256 8.4505 118.8425 58.9614 28.7491 178.1953 24 A 4.0568 8.6878 122.0709 55.3822 18.3320 179.2551 25 Q 3.9261 7.8664 116.2003 59.4948 28.1938 179.2933 26 R 3.9009 7.6294 117.0578 59.4337 30.3330 178.6100 27 K 3.9529 7.9449 118.9698 59.9281 32.1013 178.6150 28 R 3.8650 8.1203 117.7287 59.5007 30.0657 178.2230 29 H 4.1331 8.6961 118.1970 59.3863 29.8660 176.7192 30 K 3.7271 9.2723 121.4221 59.5484 31.9502 178.0585 31 L 3.8688 7.7811 119.9540 58.5267 41.8181 178.4058 32 N 4.2331 8.3479 115.3280 56.7911 38.7017 177.3347 33 R 4.0228 8.0632 119.0321 59.1606 30.2843 178.6094 34 K 3.7664 7.9381 119.1878 60.1194 31.8671 178.4594 35 E 4.0712 8.0755 117.1808 58.7361 29.4374 178.6387 36 R 4.3429 8.1063 116.8201 55.8607 30.5890 177.5819 37 G 3.8981 7.7133 106.2247 45.7673 0.0000 173.2347 38 H 4.4589 7.8885 118.3836 55.7144 30.5450 174.2826 39 K 4.7011 7.5953 122.6963 54.0458 36.3726 176.1833 40 S 4.5832 8.8241 114.5461 56.6851 64.7241 173.1723 41 P 4.1856 0.0000 0.0000 65.9278 31.0043 178.9846 42 S 4.1435 7.9861 112.3389 61.5829 63.2286 176.1878 43 E 4.0349 8.0484 121.4810 58.6085 29.0446 178.8883 44 Q 4.0543 8.3927 119.1844 58.4002 28.9523 178.0733 45 R 3.9305 7.7665 118.9561 59.7644 30.3226 179.0642 46 R 3.9438 7.7469 117.2626 59.4439 30.1632 178.9728 47 S 4.0840 7.6563 112.0331 61.4174 62.4579 175.5694 48 E 4.0392 8.4506 121.3431 59.8636 29.2974 179.4492 49 L 4.0276 8.5726 120.1105 57.7498 41.9044 178.9996 50 W 4.0635 8.2750 128.4092 60.7055 30.5130 177.5164 51 H 4.0144 8.2121 115.7274 58.8405 28.2019 177.2661 52 A 4.0042 7.9482 122.3164 55.5629 17.9229 179.9702 53 R 3.7667 7.8894 115.0651 59.4625 30.5788 178.8692 54 Q 3.7200 8.3626 120.5466 58.6903 28.8528 178.3618 55 V 3.5471 9.2619 119.2365 65.8171 31.4707 177.3673 56 E 3.9841 7.8969 114.7578 57.4937 29.3103 177.1566 57 L 4.4384 7.4763 117.4815 56.9715 43.0849 176.3926 58 S 4.2669 7.3459 115.4304 58.4847 63.0964 173.7268 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 S 8.33 4.43 0.00 3.99 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 4 I 7.47 4.20 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 1.41 0.72 0.91 0.00 0.00 5 E 9.41 4.12 0.00 1.96 1.88 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 2.31 2.33 0.00 6 I 7.99 4.31 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 1.53 0.60 0.91 0.00 0.00 7 P 0.00 4.38 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 8 L 8.84 4.01 0.00 1.69 1.74 0.92 1.01 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 9 H 8.40 4.02 0.00 3.20 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.59 4.02 0.00 2.21 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 2.35 2.50 0.00 11 I 7.83 3.68 1.95 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 1.77 1.17 0.91 0.00 0.00 12 I 7.87 3.62 1.96 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 0.54 0.85 0.00 0.00 13 R 7.91 4.62 0.00 2.15 2.13 0.00 3.19 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 14 K 8.42 3.97 0.00 1.84 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 15 L 7.98 3.99 0.00 1.84 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.59 3.93 0.00 2.16 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 2.32 2.36 0.00 17 R 7.64 3.90 0.00 2.03 1.97 0.00 3.16 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 1.65 1.68 0.00 18 M 8.10 3.92 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 19 N 8.16 4.29 0.00 2.94 2.98 0.00 0.00 7.22 7.15 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 20 Q 7.71 4.22 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 21 K 7.91 3.83 0.00 2.05 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.61 7.81 22 K 8.07 4.02 0.00 2.08 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 23 Q 8.45 4.03 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 24 A 8.69 4.06 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 25 Q 7.87 3.93 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 26 R 7.63 3.90 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 27 K 7.94 3.95 0.00 1.83 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 28 R 8.12 3.86 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 29 H 8.70 4.13 0.00 3.26 3.49 0.00 5.80 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 30 K 9.27 3.73 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 31 L 7.78 3.87 0.00 1.82 1.97 0.98 0.63 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 32 N 8.35 4.23 0.00 2.95 2.94 0.00 0.00 7.19 7.55 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 33 R 8.06 4.02 0.00 2.02 1.97 0.00 2.99 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 34 K 7.94 3.77 0.00 1.83 2.00 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 35 E 8.08 4.07 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 36 R 8.11 4.34 0.00 1.91 1.99 0.00 3.21 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 37 G 7.71 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.89 4.46 0.00 3.09 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.60 4.70 0.00 1.64 1.57 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.36 7.81 40 S 8.82 4.58 0.00 3.92 3.75 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 41 P 0.00 4.19 0.00 2.12 2.11 0.00 3.91 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 2.13 2.08 0.00 42 S 7.99 4.14 0.00 4.04 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 43 E 8.05 4.03 0.00 2.23 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 2.37 2.38 0.00 44 Q 8.39 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 45 R 7.77 3.93 0.00 1.82 2.04 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 1.67 1.99 0.00 46 R 7.75 3.94 0.00 1.76 1.99 0.00 3.30 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 47 S 7.66 4.08 0.00 4.10 4.02 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 48 E 8.45 4.04 0.00 2.23 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 0.00 2.39 2.40 0.00 49 L 8.57 4.03 0.00 1.86 1.91 0.94 1.04 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 50 W 8.27 4.06 0.00 3.54 3.32 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 51 H 8.21 4.01 0.00 3.41 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 4.00 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 53 R 7.89 3.77 0.00 1.95 1.87 0.00 3.20 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 1.63 1.61 0.00 54 Q 8.36 3.72 0.00 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 1.89 1.23 0.00 55 V 9.26 3.55 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 0.89 0.00 0.00 0.87 0.00 0.00 56 E 7.90 3.98 0.00 2.14 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 2.29 2.33 0.00 57 L 7.48 4.44 0.00 1.72 1.62 0.85 0.71 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 58 S 7.35 4.27 0.00 4.06 3.80 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