NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1189 8.0093 114.2653 60.8234 38.7714 176.2725 4 K 3.9901 8.2771 113.5483 56.2236 29.8443 170.5234 5 V 4.0593 7.9808 121.7652 62.4031 34.4436 177.1353 6 R 4.7380 8.2452 128.2983 54.7138 31.6353 175.1588 7 E 3.7869 7.9747 114.6280 56.1874 30.3683 177.9246 8 N 4.3270 8.6069 119.7689 53.8748 39.2514 169.9644 9 E 3.5877 8.6506 126.9107 54.7424 29.1131 173.1667 10 P 4.2868 0.0000 0.0000 63.2836 32.6280 175.4046 11 F 4.7796 7.9295 121.9274 56.7487 40.6363 173.5378 12 D 4.8220 8.3437 126.0992 55.5701 47.3800 175.3079 13 V 3.5602 7.8350 120.2545 62.4459 32.0620 175.9907 14 A 4.3493 8.3991 126.2120 51.6373 20.2836 177.9359 15 L 4.4184 8.1549 123.8407 54.1645 41.3632 178.8319 16 R 4.5802 7.4489 119.5352 56.1444 28.4554 177.2941 17 R 4.5048 7.5743 116.3811 56.5506 33.3950 177.3713 18 F 4.0343 7.5913 120.1879 60.5350 38.7026 176.8830 19 K 4.3297 8.3044 120.1288 59.5894 32.5411 177.7903 20 R 4.6719 7.4786 117.2764 56.5272 29.8904 176.7101 21 S 4.6890 7.6801 110.3206 57.5921 62.9913 173.5051 22 C 4.6606 7.5882 125.3629 61.0755 32.3647 174.6504 23 E 4.0895 7.8211 119.1491 56.6625 31.5647 180.3715 24 K 3.6777 9.2850 123.6201 57.2195 31.9830 177.3515 25 A 4.2239 8.9990 116.7778 53.5545 19.2994 179.8718 26 G 3.9914 9.7536 106.8824 44.8753 0.0000 174.0026 27 V 4.3681 6.7072 114.6790 62.0174 40.3000 174.4125 28 L 4.2116 8.1414 124.1316 56.5208 42.1549 177.9938 29 A 4.5799 8.1543 120.7369 52.5326 20.9373 177.0108 30 E 4.2024 8.0534 111.4920 56.6254 30.3113 175.8776 31 V 4.3505 7.5147 120.0429 62.9662 31.3836 175.7777 32 R 5.4136 7.4369 135.0000 56.9320 32.7108 172.8794 33 R 4.5881 7.4695 117.0993 55.1636 33.7203 173.1635 34 R 4.2825 7.9668 117.1076 54.0642 31.8484 175.6657 35 E 3.6856 8.0520 122.8190 56.1749 30.3875 177.6539 36 F 5.0662 8.1033 118.4338 55.9845 38.8908 173.5415 37 Y 4.4637 8.5333 129.6197 60.9019 39.0594 176.4609 38 E 4.4401 8.0709 118.1504 55.9318 30.7017 177.0238 39 K 4.1258 8.0991 121.1360 57.9394 33.0392 176.8990 40 P 4.3648 0.0000 0.0000 65.3024 31.7171 178.0760 41 T 3.8042 7.8852 108.8420 64.2585 68.2528 174.5507 42 T 4.2382 7.2953 108.2691 61.3533 69.3950 173.6133 43 E 4.3386 7.4775 122.2197 56.8997 32.0766 177.3643 44 R 3.9967 7.7619 118.0736 59.3037 30.7067 178.0774 45 K 4.4659 7.9509 116.2605 56.6994 31.9679 177.5298 46 R 4.4478 8.3815 117.9338 56.5955 31.2116 177.9965 47 A 3.9447 7.7513 120.7795 54.5801 17.9994 179.0725 48 K 3.6746 8.1065 117.1817 59.4234 32.0099 177.3750 49 A 4.5704 7.7012 118.8748 53.0897 20.2349 177.9750 50 S 4.4743 8.1336 111.2394 59.6303 63.0365 174.4928 51 A 4.6940 8.1981 122.7428 51.2740 20.5009 177.8228 52 V 3.7619 7.4480 113.8267 63.3724 31.8904 176.6277 53 K 4.1673 7.8927 123.6208 56.3133 32.2348 175.7764 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 I 8.01 4.12 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 1.01 0.00 0.00 4 K 8.28 3.99 0.00 1.87 1.83 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.27 7.81 5 V 7.98 4.06 1.92 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 0.83 0.00 0.00 0.17 0.00 0.00 6 R 8.25 4.74 0.00 1.77 1.81 0.00 3.28 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 7 E 7.97 3.79 0.00 2.19 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 0.00 2.65 2.55 0.00 8 N 8.61 4.33 0.00 2.74 2.82 0.00 0.00 7.11 7.66 0.00 0.00 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 E 8.65 3.59 0.00 1.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 10 P 0.00 4.29 0.00 2.03 1.94 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 11 F 7.93 4.78 0.00 3.05 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.82 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.56 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 0.66 0.00 0.00 0.93 0.00 0.00 14 A 8.40 4.35 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 15 L 8.15 4.42 0.00 1.77 1.67 1.00 0.93 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 16 R 7.45 4.58 0.00 1.82 1.93 0.00 3.16 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 17 R 7.57 4.50 0.00 1.88 1.89 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 18 F 7.59 4.03 0.00 3.23 2.90 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 19 K 8.30 4.33 0.00 2.00 2.23 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.47 7.81 20 R 7.48 4.67 0.00 1.93 1.99 0.00 3.22 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 21 S 7.68 4.69 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.59 4.66 0.00 2.96 2.93 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 0.00 0.00 0.00 0.00 23 E 7.82 4.09 0.00 2.33 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 2.39 2.32 0.00 24 K 9.28 3.68 0.00 1.92 1.40 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.37 7.81 25 A 9.00 4.22 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.75 3.99 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 0.00 27 V 6.71 4.37 2.10 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 0.63 0.00 0.00 1.08 0.00 0.00 28 L 8.14 4.21 0.00 1.71 1.74 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.15 4.58 1.25 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 0.00 0.00 30 E 8.05 4.20 0.00 2.19 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 0.00 2.50 2.33 0.00 31 V 7.51 4.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 32 R 7.44 5.41 0.00 1.90 1.93 0.00 3.22 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.00 33 R 7.47 4.59 0.00 1.86 1.94 0.00 3.82 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 34 R 7.97 4.28 0.00 1.69 1.70 0.00 3.34 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.48 0.00 35 E 8.05 3.69 0.00 1.80 1.71 0.00 0.00 0.00 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 2.35 0.00 36 F 8.10 5.07 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.46 0.00 2.89 3.13 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 38 E 8.07 4.44 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 39 K 8.10 4.13 0.00 1.52 1.67 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.92 7.81 40 P 0.00 4.36 0.00 2.21 2.21 0.00 3.78 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 2.00 1.96 0.00 41 T 7.89 3.80 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 1.00 0.00 0.00 42 T 7.30 4.24 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 43 E 7.48 4.34 0.00 2.06 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 44 R 7.76 4.00 0.00 1.99 1.97 0.00 3.17 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 1.70 1.59 0.00 45 K 7.95 4.47 0.00 1.63 1.85 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 46 R 8.38 4.45 0.00 1.91 1.90 0.00 3.32 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 47 A 7.75 3.94 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 48 K 8.11 3.67 0.00 1.74 2.02 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 49 A 7.70 4.57 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 50 S 8.13 4.47 0.00 3.82 3.91 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 0.00 0.00 0.00 0.00 51 A 8.20 4.69 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 52 V 7.45 3.76 2.42 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 0.75 0.00 0.00 0.92 0.00 0.00 53 K 7.89 4.17 0.00 1.73 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81