#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 n ASN 2 N 0.00 6.92 -3.84 6.43 4.05 -1.26 -4.74 115.26 122.83 2fe9 n ASN 2 Ca 0.00 -3.08 -0.28 0.00 0.45 0.00 0.00 54.58 51.67 2fe9 n ASN 2 Cb 0.00 -1.31 -0.12 0.00 1.23 0.00 0.00 39.78 39.59 2fe9 n ASN 2 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2fe9 s SER 3 N 0.62 4.38 0.00 1.20 1.04 -1.26 -3.75 113.70 115.93 2fe9 s SER 3 Ca 0.59 -3.73 0.00 0.00 0.48 0.00 0.00 55.95 53.29 2fe9 s SER 3 Cb 0.31 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2fe9 s SER 3 CO -0.15 -0.10 0.95 -1.20 0.98 0.00 0.00 173.24 173.72 2fe9 n SER 4 N 2.12 1.84 -2.85 7.02 7.64 -1.26 -5.04 113.62 123.09 2fe9 n SER 4 Ca 0.21 -1.91 -0.06 0.00 1.01 0.00 0.00 58.87 58.12 2fe9 n SER 4 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2fe9 n MET 5 N -0.46 -2.74 -2.59 1.43 2.81 -1.26 -4.89 117.12 109.42 2fe9 n MET 5 Ca 0.00 2.31 -0.42 0.00 -1.81 0.00 0.00 57.70 57.78 2fe9 n MET 5 Cb 0.26 -5.04 -0.02 0.00 -0.71 0.00 0.00 33.22 27.71 2fe9 n MET 5 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2fe9 s ASN 6 N -2.00 6.46 0.44 7.83 -0.87 -1.26 -4.89 114.94 120.65 2fe9 s ASN 6 Ca 0.13 0.13 0.29 0.00 -1.57 0.00 0.00 52.86 51.84 2fe9 s ASN 6 Cb -0.03 -2.55 1.59 0.00 -0.02 0.00 0.00 41.25 40.24 2fe9 s ASN 6 CO 0.74 -1.45 1.90 -0.65 -2.57 0.00 0.00 177.10 175.06 2fe9 h PRO 7 N 9.50 0.00 0.04 -0.60 0.11 -1.97 0.34 132.00 139.42 2fe9 h PRO 7 Ca -0.25 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 2fe9 h PRO 7 Cb 1.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.17 2fe9 h PRO 7 CO 1.18 0.00 -0.27 0.87 -0.21 0.00 0.00 178.00 179.57 2fe9 h LYS 8 N 0.00 0.12 0.05 1.05 6.56 -1.96 -3.26 116.57 119.13 2fe9 h LYS 8 Ca 0.00 -0.17 -0.25 0.00 -1.06 0.00 0.00 60.65 59.17 2fe9 h LYS 8 Cb 0.01 0.06 0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2fe9 h LYS 8 CO 0.00 1.04 -0.99 0.77 -2.06 0.00 0.00 179.45 178.21 2fe9 h SER 9 N -0.72 0.78 0.00 0.86 0.02 -1.78 -3.05 113.55 109.66 2fe9 h SER 9 Ca -0.04 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2fe9 h SER 9 Cb 1.16 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2fe9 h SER 9 CO 0.05 1.48 0.06 0.18 -1.14 0.00 0.00 176.83 177.46 2fe9 n LEU 10 N -3.94 0.53 -0.33 5.07 4.77 0.05 -1.03 117.00 122.12 2fe9 n LEU 10 Ca -0.12 0.73 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 2fe9 n LEU 10 Cb 0.86 -0.78 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 2fe9 n LEU 10 CO 0.54 -0.91 0.46 0.35 -1.33 0.00 0.00 177.39 176.49 2fe9 n THR 11 N -2.24 1.73 -3.81 -5.08 -2.24 -1.20 -4.62 114.28 96.82 2fe9 n THR 11 Ca -0.01 -2.29 -0.37 0.00 -2.27 0.00 0.00 64.05 59.11 2fe9 n THR 11 Cb 0.09 -0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.07 2fe9 n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fe9 s ASP 12 N -2.78 4.94 0.66 3.42 -1.08 -0.20 -4.59 116.67 117.04 2fe9 s ASP 12 Ca 0.31 -0.73 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 2fe9 s ASP 12 Cb 0.29 -1.83 0.60 0.00 -1.46 0.00 0.00 42.92 40.52 2fe9 s ASP 12 CO -0.01 -0.17 1.33 -0.65 0.52 0.00 0.00 175.17 176.19 2fe9 h PRO 13 N 8.18 0.00 -0.10 4.34 0.11 -1.90 0.13 132.00 142.75 2fe9 h PRO 13 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2fe9 h PRO 13 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2fe9 h PRO 13 CO 0.60 0.00 0.06 -0.22 -0.21 0.00 0.00 178.00 178.23 2fe9 h LYS 14 N 0.00 0.14 0.15 1.05 3.11 -1.93 0.19 116.57 119.28 2fe9 h LYS 14 Ca 0.03 -0.01 -0.29 0.00 -2.81 0.00 0.00 60.65 57.56 2fe9 h LYS 14 Cb 1.60 -0.03 0.02 0.00 -1.00 0.00 0.00 32.23 32.82 2fe9 h LYS 14 CO -0.00 0.14 -1.28 -0.07 -2.81 0.00 0.00 179.45 175.43 2fe9 h LEU 15 N 0.10 0.68 -1.46 5.20 -0.00 -1.02 -2.77 115.31 116.05 2fe9 h LEU 15 Ca 0.04 -0.68 -0.03 0.00 -0.00 0.00 0.00 57.88 57.20 2fe9 h LEU 15 Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 2fe9 h LEU 15 CO -0.01 1.51 0.02 -0.07 -0.00 0.00 0.00 178.44 179.90 2fe9 h LEU 16 N 0.17 0.35 0.00 1.67 3.38 -1.29 -0.19 115.31 119.39 2fe9 h LEU 16 Ca -0.18 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2fe9 h LEU 16 Cb 1.97 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2fe9 h LEU 16 CO 0.23 0.39 -0.59 0.11 0.09 0.00 0.00 178.44 178.67 2fe9 h LYS 17 N 0.37 0.00 -2.27 1.13 1.57 -0.70 -3.33 116.57 113.34 2fe9 h LYS 17 Ca 0.09 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.25 2fe9 h LYS 17 Cb 0.21 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.12 2fe9 h LYS 17 CO 0.00 0.18 -0.46 -1.71 -0.57 0.00 0.00 179.45 176.89 2fe9 n ASN 18 N -3.00 4.41 -0.35 0.86 5.15 -0.24 -4.95 115.26 117.14 2fe9 n ASN 18 Ca 0.00 -3.57 0.06 0.00 -0.60 0.00 0.00 54.58 50.48 2fe9 n ASN 18 Cb 0.64 -0.68 0.15 0.00 -0.53 0.00 0.00 39.78 39.36 2fe9 n ASN 18 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2fe9 n ILE 19 N 0.34 -0.41 -0.23 -1.44 2.08 -0.30 0.72 119.36 120.12 2fe9 n ILE 19 Ca 0.31 2.25 0.02 0.00 0.56 0.00 0.00 62.75 65.89 2fe9 n ILE 19 Cb 0.39 -3.12 0.11 0.00 -0.75 0.00 0.00 39.64 36.27 2fe9 n ILE 19 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2fe9 h PRO 20 N 0.00 0.06 -0.80 0.38 0.11 -1.83 0.46 132.00 130.38 2fe9 h PRO 20 Ca 0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 2fe9 h PRO 20 Cb 0.75 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 2fe9 h PRO 20 CO -1.01 0.04 0.32 1.98 -0.21 0.00 0.00 178.00 179.12 2fe9 h MET 21 N 0.07 1.20 -0.86 1.05 4.05 0.02 -0.57 114.93 119.89 2fe9 h MET 21 Ca 0.35 -0.22 0.13 0.00 -0.28 0.00 0.00 59.70 59.68 2fe9 h MET 21 Cb 0.58 -0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 31.12 2fe9 h MET 21 CO -0.63 0.97 0.56 2.35 0.23 0.00 0.00 176.91 180.39 2fe9 h TRP 22 N 1.17 0.81 0.00 1.39 7.01 0.24 0.14 115.95 126.71 2fe9 h TRP 22 Ca 0.27 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.18 2fe9 h TRP 22 Cb 0.22 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2fe9 h TRP 22 CO 0.02 0.32 -0.51 -0.07 -2.79 0.00 0.00 178.44 175.41 2fe9 h LEU 23 N 0.71 0.00 -0.64 0.65 3.38 0.62 -3.24 115.31 116.78 2fe9 h LEU 23 Ca 0.42 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.48 2fe9 h LEU 23 Cb 0.63 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2fe9 h LEU 23 CO -0.18 0.51 0.28 0.11 0.09 0.00 0.00 178.44 179.25 2fe9 h LYS 24 N 0.00 0.47 0.00 1.13 6.56 0.77 0.85 116.57 126.36 2fe9 h LYS 24 Ca -0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2fe9 h LYS 24 Cb 1.23 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 2fe9 h LYS 24 CO 0.07 0.31 0.00 0.43 -2.06 0.00 0.00 179.45 178.20 2fe9 n SER 25 N -4.94 0.00 -0.36 0.86 7.64 -1.13 -2.13 113.62 113.56 2fe9 n SER 25 Ca 0.09 0.31 0.05 0.00 1.01 0.00 0.00 58.87 60.33 2fe9 n SER 25 Cb 0.27 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.08 2fe9 n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fe9 n LEU 26 N -1.42 1.69 0.00 -3.43 4.77 0.10 -4.46 117.00 114.25 2fe9 n LEU 26 Ca 0.07 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2fe9 n LEU 26 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2fe9 n LEU 26 CO 0.17 0.33 0.00 0.54 -1.33 0.00 0.00 177.39 177.10 2fe9 n ARG 27 N 0.40 -0.67 -0.68 3.23 5.12 0.26 -4.42 116.66 119.88 2fe9 n ARG 27 Ca 0.05 0.17 0.02 0.00 -1.93 0.00 0.00 57.85 56.16 2fe9 n ARG 27 Cb 0.23 -4.20 0.27 0.00 -1.16 0.00 0.00 32.46 27.60 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2fe9 n LEU 28 N 0.00 4.61 0.16 0.55 4.77 -0.34 -4.13 117.00 122.62 2fe9 n LEU 28 Ca 0.00 -2.36 0.11 0.00 -0.03 0.00 0.00 56.01 53.73 2fe9 n LEU 28 Cb 0.17 -0.65 0.59 0.00 -2.33 0.00 0.00 43.42 41.19 2fe9 n LEU 28 CO 0.00 0.58 0.83 0.00 -1.33 0.00 0.00 177.39 177.47 2fe9 n HIS 29 N 0.28 0.74 -0.31 -1.77 1.44 -1.18 -0.28 115.22 114.14 2fe9 n HIS 29 Ca 0.23 0.38 0.07 0.00 -2.01 0.00 0.00 57.72 56.40 2fe9 n HIS 29 Cb 1.00 -1.11 0.28 0.00 0.12 0.00 0.00 29.99 30.28 2fe9 n HIS 29 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 2fe9 h LYS 30 N 0.00 0.89 -0.74 -1.40 2.10 -1.91 0.97 116.57 116.47 2fe9 h LYS 30 Ca 0.00 -0.05 -0.31 0.00 -2.00 0.00 0.00 60.65 58.29 2fe9 h LYS 30 Cb 0.03 -0.20 -0.19 0.00 -0.90 0.00 0.00 32.23 30.97 2fe9 h LYS 30 CO 0.00 0.59 0.34 0.66 -2.00 0.00 0.00 179.45 179.04 2fe9 n TYR 31 N -4.55 2.37 -0.07 0.07 4.01 0.61 -4.57 117.16 115.03 2fe9 n TYR 31 Ca 0.16 -1.49 -0.11 0.00 -0.16 0.00 0.00 57.90 56.30 2fe9 n TYR 31 Cb 0.33 -0.73 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2fe9 h SER 32 N 1.72 0.36 -0.79 7.72 4.64 -0.76 0.19 113.55 126.62 2fe9 h SER 32 Ca 0.38 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2fe9 h SER 32 Cb 2.38 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 64.33 2fe9 h SER 32 CO 0.79 0.50 0.51 0.44 -0.87 0.00 0.00 176.83 178.20 2fe9 h ASP 33 N 0.20 0.93 1.38 4.97 5.19 -1.80 1.63 116.42 128.91 2fe9 h ASP 33 Ca 0.07 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.34 2fe9 h ASP 33 Cb 0.28 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2fe9 h ASP 33 CO 0.00 0.69 -0.50 0.00 -3.12 0.00 0.00 179.24 176.31 2fe9 h ALA 34 N 1.48 0.71 -0.01 3.45 0.00 -1.81 -3.30 119.26 119.78 2fe9 h ALA 34 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2fe9 h ALA 34 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2fe9 h ALA 34 CO -0.06 0.63 -0.44 1.28 0.00 0.00 0.00 179.25 180.65 2fe9 n LEU 35 N -3.27 1.28 -0.04 0.00 4.32 0.64 -4.52 117.00 115.41 2fe9 n LEU 35 Ca 0.02 -0.68 -0.15 0.00 -0.02 0.00 0.00 56.01 55.18 2fe9 n LEU 35 Cb 0.71 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.43 2fe9 n LEU 35 CO 0.40 0.26 0.47 -1.28 -1.22 0.00 0.00 177.39 176.02 2fe9 h SER 36 N 1.14 0.52 0.00 -1.43 0.87 0.23 -2.92 113.55 111.95 2fe9 h SER 36 Ca 0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2fe9 h SER 36 Cb 0.46 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2fe9 h SER 36 CO 0.00 1.01 0.11 0.61 -0.53 0.00 0.00 176.83 178.02 2fe9 n GLY 37 N 0.51 -0.53 3.38 5.77 0.00 -1.26 -4.38 105.19 108.68 2fe9 n GLY 37 Ca -0.07 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2fe9 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fe9 s THR 38 N -3.04 3.04 1.15 2.61 2.01 -1.10 -5.13 115.64 115.18 2fe9 s THR 38 Ca -0.01 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 2fe9 s THR 38 Cb 0.02 -2.27 0.26 0.00 0.01 0.00 0.00 72.50 70.52 2fe9 s THR 38 CO 0.06 0.53 1.11 -2.16 -0.69 0.00 0.00 174.62 173.47 2fe9 s PRO 39 N 0.21 -0.78 0.01 4.92 0.04 -1.26 -4.70 135.00 133.44 2fe9 s PRO 39 Ca -0.08 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.78 2fe9 s PRO 39 Cb -0.15 -1.64 -0.18 0.00 0.04 0.00 0.00 34.50 32.57 2fe9 s PRO 39 CO 0.05 -3.44 1.35 0.11 0.04 0.00 0.00 177.00 175.11 2fe9 h TRP 40 N -2.39 0.08 -0.76 0.56 5.08 -1.94 0.49 115.95 117.07 2fe9 h TRP 40 Ca -0.48 -0.02 0.22 0.00 1.08 0.00 0.00 58.89 59.69 2fe9 h TRP 40 Cb 1.30 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 27.42 2fe9 h TRP 40 CO -1.48 0.46 0.70 0.97 -1.28 0.00 0.00 178.44 177.82 2fe9 h ILE 41 N -0.33 0.33 0.01 0.12 2.10 -1.92 0.53 117.51 118.35 2fe9 h ILE 41 Ca 0.01 0.00 -0.37 0.00 1.08 0.00 0.00 64.86 65.58 2fe9 h ILE 41 Cb 0.44 0.46 -0.06 0.00 -1.09 0.00 0.00 36.82 36.57 2fe9 h ILE 41 CO 0.00 0.00 -2.33 -0.62 -1.08 0.00 0.00 178.15 174.12 2fe9 n GLU 42 N -3.78 0.67 0.37 2.19 1.02 -1.11 -3.88 120.64 116.11 2fe9 n GLU 42 Ca 0.16 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 57.22 2fe9 n GLU 42 Cb 0.97 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2fe9 h LEU 43 N 0.01 -1.30 -1.29 -4.62 7.12 0.38 0.26 115.31 115.87 2fe9 h LEU 43 Ca -0.53 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2fe9 h LEU 43 Cb 2.05 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 42.59 2fe9 h LEU 43 CO -0.01 -0.71 0.09 2.30 -0.13 0.00 0.00 178.44 179.98 2fe9 n ILE 44 N -5.52 0.89 0.83 4.05 -5.35 0.15 -0.20 119.36 114.20 2fe9 n ILE 44 Ca -0.13 0.75 0.10 0.00 -0.27 0.00 0.00 62.75 63.19 2fe9 n ILE 44 Cb 0.48 -1.75 -0.13 0.00 -1.74 0.00 0.00 39.64 36.51 2fe9 n ILE 44 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2fe9 n TYR 45 N -2.21 0.00 -0.07 4.28 4.02 -0.25 -4.57 117.16 118.37 2fe9 n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2fe9 n TYR 45 Cb 0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2fe9 n TYR 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2fe9 n LEU 46 N -1.62 0.00 -3.91 7.72 4.77 0.76 -5.05 117.00 119.67 2fe9 n LEU 46 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 2fe9 n LEU 46 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2fe9 n LEU 46 CO 0.43 -0.70 0.37 1.51 -1.33 0.00 0.00 177.39 177.67 2fe9 s ASP 47 N -1.79 -0.09 0.21 -1.43 -4.77 -1.26 -5.01 116.67 102.54 2fe9 s ASP 47 Ca 0.00 -0.85 -0.13 0.00 -3.30 0.00 0.00 52.55 48.27 2fe9 s ASP 47 Cb 0.00 0.70 0.26 0.00 -1.09 0.00 0.00 42.92 42.79 2fe9 s ASP 47 CO 0.00 -1.33 1.63 -0.78 0.70 0.00 0.00 175.17 175.39 2fe9 h ASP 48 N 2.09 -0.51 0.56 2.11 1.82 -1.94 -0.86 116.42 119.68 2fe9 h ASP 48 Ca -0.24 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 2fe9 h ASP 48 Cb 1.25 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 41.61 2fe9 h ASP 48 CO 0.31 -0.19 -0.43 -0.08 -1.61 0.00 0.00 179.24 177.24 2fe9 h GLU 49 N 0.03 -0.91 -0.61 0.28 4.81 -1.96 -2.70 114.58 113.53 2fe9 h GLU 49 Ca 0.31 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.73 2fe9 h GLU 49 Cb 0.49 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 29.97 2fe9 h GLU 49 CO -0.63 -0.61 -0.14 1.15 -0.73 0.00 0.00 179.01 178.05 2fe9 h THR 50 N -0.95 0.40 -1.00 0.32 2.02 -1.82 0.24 112.91 112.12 2fe9 h THR 50 Ca -0.07 -0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.31 2fe9 h THR 50 Cb 0.79 0.39 -0.11 0.00 -1.74 0.00 0.00 68.15 67.48 2fe9 h THR 50 CO 0.02 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.45 2fe9 h LEU 51 N 0.01 0.75 -0.44 2.58 3.38 -1.06 0.48 115.31 121.00 2fe9 h LEU 51 Ca 0.29 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 2fe9 h LEU 51 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2fe9 h LEU 51 CO -0.62 0.22 -0.06 -0.08 0.09 0.00 0.00 178.44 177.99 2fe9 h GLU 52 N 0.70 0.83 -0.42 1.13 4.81 -0.25 0.52 114.58 121.90 2fe9 h GLU 52 Ca 0.60 -0.30 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 2fe9 h GLU 52 Cb 1.01 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2fe9 h GLU 52 CO -0.41 0.92 0.29 0.87 -0.73 0.00 0.00 179.01 179.95 2fe9 h LYS 53 N 0.66 0.18 0.10 1.92 1.79 0.12 -2.83 116.57 118.51 2fe9 h LYS 53 Ca 0.12 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2fe9 h LYS 53 Cb 0.58 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2fe9 h LYS 53 CO 0.04 0.12 -0.05 0.87 -1.08 0.00 0.00 179.45 179.35 2fe9 h LYS 54 N 0.18 -0.12 0.00 3.15 1.79 -0.59 -3.48 116.57 117.50 2fe9 h LYS 54 Ca 0.19 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2fe9 h LYS 54 Cb 0.53 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2fe9 h LYS 54 CO -0.03 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 2fe9 n GLY 55 N 1.41 0.00 3.44 3.86 0.00 -0.46 -4.79 105.19 108.65 2fe9 n GLY 55 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2fe9 n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fe9 n VAL 56 N 0.00 1.96 1.67 1.61 0.31 0.17 -4.66 118.33 119.39 2fe9 n VAL 56 Ca 0.00 -1.95 0.11 0.00 -0.01 0.00 0.00 64.34 62.50 2fe9 n VAL 56 Cb 0.00 -2.22 0.55 0.00 -0.91 0.00 0.00 33.84 31.26 2fe9 n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2fe9 n LEU 57 N 12.11 0.76 -4.52 7.52 4.32 -1.26 -2.72 117.00 133.21 2fe9 n LEU 57 Ca 0.46 -0.30 -0.43 0.00 -0.02 0.00 0.00 56.01 55.72 2fe9 n LEU 57 Cb 0.45 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.15 2fe9 n LEU 57 CO 0.79 0.15 0.43 0.00 -1.22 0.00 0.00 177.39 177.54 2fe9 s ALA 58 N -1.93 3.33 0.55 -1.18 0.00 -1.26 -4.89 121.76 116.39 2fe9 s ALA 58 Ca 0.34 -1.16 0.32 0.00 0.00 0.00 0.00 51.96 51.45 2fe9 s ALA 58 Cb 0.17 -3.35 1.47 0.00 0.00 0.00 0.00 23.12 21.41 2fe9 s ALA 58 CO 0.27 -1.83 1.85 -0.07 0.00 0.00 0.00 175.76 175.99 2fe9 h LEU 59 N 9.81 0.00 -0.01 0.00 -0.00 -1.99 0.43 115.31 123.55 2fe9 h LEU 59 Ca -0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.40 2fe9 h LEU 59 Cb 1.09 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.77 2fe9 h LEU 59 CO 0.91 0.00 -0.88 1.23 -0.00 0.00 0.00 178.44 179.70 2fe9 h GLY 60 N 0.00 0.68 0.30 0.83 0.00 -1.97 -3.06 103.07 99.84 2fe9 h GLY 60 Ca 0.40 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2fe9 h GLY 60 CO -0.00 1.04 -0.04 0.00 0.00 0.00 0.00 176.54 177.53 2fe9 h ALA 61 N 0.38 -0.12 0.69 3.60 0.00 -0.68 -3.12 119.26 120.00 2fe9 h ALA 61 Ca -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2fe9 h ALA 61 Cb 1.55 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.39 2fe9 h ALA 61 CO 0.17 -0.21 -0.33 0.07 0.00 0.00 0.00 179.25 178.95 2fe9 h ARG 62 N -0.83 -0.89 -0.47 0.00 0.11 -0.92 -0.13 114.38 111.25 2fe9 h ARG 62 Ca -0.01 0.06 0.14 0.00 0.10 0.00 0.00 59.98 60.26 2fe9 h ARG 62 Cb 0.59 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 2fe9 h ARG 62 CO 0.02 -0.59 0.61 0.00 0.10 0.00 0.00 179.97 180.11 2fe9 h ARG 63 N -1.18 0.00 0.19 0.08 3.08 -1.72 0.45 114.38 115.29 2fe9 h ARG 63 Ca -0.09 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.65 2fe9 h ARG 63 Cb 0.71 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.79 2fe9 h ARG 63 CO 0.16 0.00 -1.30 -0.22 -1.07 0.00 0.00 179.97 177.53 2fe9 h LYS 64 N 0.00 0.54 -0.13 0.04 1.63 -1.41 -3.23 116.57 114.02 2fe9 h LYS 64 Ca 0.22 -0.84 0.04 0.00 -0.85 0.00 0.00 60.65 59.22 2fe9 h LYS 64 Cb 1.44 0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 33.36 2fe9 h LYS 64 CO -0.00 1.39 0.15 -0.07 -3.45 0.00 0.00 179.45 177.47 2fe9 h LEU 65 N 0.12 0.00 -2.52 5.20 3.38 0.18 0.14 115.31 121.81 2fe9 h LEU 65 Ca -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2fe9 h LEU 65 Cb 2.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 2fe9 h LEU 65 CO 0.25 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.69 2fe9 h LEU 66 N 0.00 0.00 0.11 1.67 3.38 -1.48 0.17 115.31 119.17 2fe9 h LEU 66 Ca 0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 2fe9 h LEU 66 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2fe9 h LEU 66 CO -0.00 0.02 -1.26 0.50 0.09 0.00 0.00 178.44 177.79 2fe9 h LYS 67 N 0.00 0.51 0.00 1.13 3.11 -0.89 -3.15 116.57 117.29 2fe9 h LYS 67 Ca -0.00 -0.74 -0.09 0.00 -2.81 0.00 0.00 60.65 57.01 2fe9 h LYS 67 Cb 0.11 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 2fe9 h LYS 67 CO 0.00 1.33 -0.42 0.00 -2.81 0.00 0.00 179.45 177.55 2fe9 h ALA 68 N 0.37 0.94 -0.58 5.00 0.00 -1.15 -3.12 119.26 120.72 2fe9 h ALA 68 Ca -0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 2fe9 h ALA 68 Cb 1.95 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2fe9 h ALA 68 CO 0.23 0.53 -0.02 0.74 0.00 0.00 0.00 179.25 180.73 2fe9 h PHE 69 N 0.00 1.15 -0.11 0.00 0.04 -0.75 -3.13 116.94 114.14 2fe9 h PHE 69 Ca -0.00 -0.21 -0.19 0.00 2.80 0.00 0.00 57.97 60.37 2fe9 h PHE 69 Cb 0.99 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.85 2fe9 h PHE 69 CO 0.00 1.02 -0.66 0.78 -0.60 0.00 0.00 178.31 178.85 2fe9 h GLY 70 N 0.94 0.71 0.51 -1.45 0.00 -1.52 -2.39 103.07 99.87 2fe9 h GLY 70 Ca 0.16 -1.03 0.13 0.00 0.00 0.00 0.00 47.33 46.60 2fe9 h GLY 70 CO 0.03 0.92 0.60 -2.22 0.00 0.00 0.00 176.54 175.87 2fe9 h ILE 71 N 0.30 0.87 -0.00 2.60 2.04 -1.58 0.27 117.51 122.01 2fe9 h ILE 71 Ca -0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2fe9 h ILE 71 Cb 1.30 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2fe9 h ILE 71 CO 0.14 0.15 -0.01 0.58 0.00 0.00 0.00 178.15 179.01 2fe9 h VAL 72 N 0.82 1.46 -0.82 1.67 2.07 -1.54 -2.98 116.25 116.93 2fe9 h VAL 72 Ca 0.47 -1.38 0.13 0.00 0.82 0.00 0.00 66.70 66.74 2fe9 h VAL 72 Cb 0.62 2.39 -0.09 0.00 -1.52 0.00 0.00 31.29 32.69 2fe9 h VAL 72 CO -0.23 0.36 0.42 0.40 0.02 0.00 0.00 177.57 178.54 2fe9 h ILE 73 N -0.56 0.76 0.84 4.57 2.04 -0.81 0.18 117.51 124.52 2fe9 h ILE 73 Ca 0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2fe9 h ILE 73 Cb 0.59 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2fe9 h ILE 73 CO 0.00 0.11 -0.40 -0.78 0.00 0.00 0.00 178.15 177.08 2fe9 h ASP 74 N 0.63 -0.96 -0.52 1.72 3.58 -1.02 0.43 116.42 120.28 2fe9 h ASP 74 Ca 0.44 0.03 0.10 0.00 0.42 0.00 0.00 57.03 58.02 2fe9 h ASP 74 Cb 0.58 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 2fe9 h ASP 74 CO -0.34 -0.63 0.35 1.88 -2.88 0.00 0.00 179.24 177.62 2fe9 h TYR 75 N -1.24 0.29 -0.62 0.28 -1.99 -1.34 0.52 116.97 112.87 2fe9 h TYR 75 Ca -0.12 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 2fe9 h TYR 75 Cb 0.87 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.48 2fe9 h TYR 75 CO 0.01 0.14 0.14 -0.22 -0.00 0.00 0.00 178.16 178.23 2fe9 h LYS 76 N 0.27 1.00 0.00 4.88 3.64 -0.37 0.37 116.57 126.37 2fe9 h LYS 76 Ca 0.24 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2fe9 h LYS 76 Cb 0.59 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2fe9 h LYS 76 CO -0.05 0.92 0.00 0.93 -2.27 0.00 0.00 179.45 178.98 2fe9 h GLU 77 N 0.91 0.00 -0.68 1.90 4.39 0.44 -2.95 114.58 118.59 2fe9 h GLU 77 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2fe9 h GLU 77 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2fe9 h GLU 77 CO 0.00 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.39 2fe9 n ARG 78 N -2.71 3.08 -2.54 2.33 1.74 0.13 -4.93 116.66 113.76 2fe9 n ARG 78 Ca 0.03 -2.71 -0.21 0.00 -0.77 0.00 0.00 57.85 54.19 2fe9 n ARG 78 Cb 0.36 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2fe9 n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fe9 n ASP 79 N 1.39 -5.83 0.01 0.55 2.03 -0.92 -4.87 116.55 108.90 2fe9 n ASP 79 Ca 0.24 -0.06 -0.17 0.00 0.52 0.00 0.00 54.79 55.32 2fe9 n ASP 79 Cb 0.70 -4.83 -0.14 0.00 -0.72 0.00 0.00 41.12 36.13 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2fe9 h LEU 80 N -0.29 0.30 -9.61 -2.67 4.07 -0.51 -3.46 115.31 103.15 2fe9 h LEU 80 Ca -0.49 -0.63 -0.52 0.00 0.08 0.00 0.00 57.88 56.32 2fe9 h LEU 80 Cb 1.36 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2fe9 h LEU 80 CO 0.57 1.56 0.40 -0.63 -1.08 0.00 0.00 178.44 179.27 2fe9 s ILE 81 N -2.58 4.24 0.27 1.22 1.01 -1.17 -4.99 121.20 119.21 2fe9 s ILE 81 Ca -0.15 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 2fe9 s ILE 81 Cb 0.07 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 2fe9 s ILE 81 CO 0.80 0.31 1.58 -0.62 0.00 0.00 0.00 174.94 177.01 2fe9 s ASP 82 N -0.09 6.42 0.20 3.58 -1.08 -1.26 -4.84 116.67 119.59 2fe9 s ASP 82 Ca 0.48 2.89 0.15 0.00 -0.52 0.00 0.00 52.55 55.55 2fe9 s ASP 82 Cb -0.26 -2.63 0.77 0.00 -1.46 0.00 0.00 42.92 39.34 2fe9 s ASP 82 CO 0.32 -0.88 1.46 0.54 0.52 0.00 0.00 175.17 177.12 2fe9 n ARG 83 N 2.42 0.10 -0.10 4.34 5.12 -1.26 -1.33 116.66 125.94 2fe9 n ARG 83 Ca 0.09 0.55 -0.03 0.00 -1.93 0.00 0.00 57.85 56.53 2fe9 n ARG 83 Cb 0.38 -1.79 0.21 0.00 -1.16 0.00 0.00 32.46 30.10 2fe9 n ARG 83 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2fe9 h SER 84 N 0.00 0.71 -0.37 0.55 0.02 -2.02 -2.63 113.55 109.81 2fe9 h SER 84 Ca 0.00 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2fe9 h SER 84 Cb 0.05 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2fe9 h SER 84 CO 0.00 0.73 -0.04 0.00 -1.14 0.00 0.00 176.83 176.38 2fe9 h ALA 85 N 1.36 0.51 0.00 3.77 0.00 -1.55 -3.51 119.26 119.84 2fe9 h ALA 85 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2fe9 h ALA 85 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fe9 h ALA 85 CO 0.01 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.23