#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 -0.56 -2.99 -3.46 6.94 -1.26 -5.12 115.26 108.81 2fe9 n ASN 2 Ca 0.00 -2.54 -0.16 0.00 -0.02 0.00 0.00 54.58 51.86 2fe9 n ASN 2 Cb 0.00 1.27 -0.02 0.00 -2.36 0.00 0.00 39.78 38.68 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2fe9 n SER 3 N -2.03 -1.59 -4.73 0.53 3.41 -1.26 -4.64 113.62 103.32 2fe9 n SER 3 Ca 0.05 -2.92 -0.40 0.00 -0.26 0.00 0.00 58.87 55.34 2fe9 n SER 3 Cb 0.43 0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2fe9 s SER 4 N -0.97 7.08 -0.52 4.04 0.15 -1.26 -5.02 113.70 117.20 2fe9 s SER 4 Ca 0.33 1.30 -0.26 0.00 0.70 0.00 0.00 55.95 58.02 2fe9 s SER 4 Cb 0.16 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2fe9 s SER 4 CO -0.17 -0.07 1.02 -0.04 1.20 0.00 0.00 173.24 175.18 2fe9 s MET 5 N 0.47 3.47 -0.58 5.44 -1.94 -1.26 -4.39 119.30 120.51 2fe9 s MET 5 Ca 0.38 0.06 -0.22 0.00 -1.71 0.00 0.00 55.69 54.21 2fe9 s MET 5 Cb -0.19 -3.99 0.06 0.00 2.01 0.00 0.00 34.83 32.72 2fe9 s MET 5 CO 0.20 -1.45 0.84 -0.80 -0.01 0.00 0.00 175.02 173.81 2fe9 s ASN 6 N 2.66 6.24 0.00 3.03 -0.87 -1.26 -4.90 114.94 119.84 2fe9 s ASN 6 Ca 0.37 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 2fe9 s ASN 6 Cb -0.10 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 2fe9 s ASN 6 CO 0.24 -1.20 0.93 -2.65 -2.57 0.00 0.00 177.10 171.85 2fe9 n PRO 7 N 7.08 0.00 -0.05 -0.60 -0.02 -1.26 -0.69 135.00 139.46 2fe9 n PRO 7 Ca -0.03 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.75 2fe9 n PRO 7 Cb 0.46 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.33 2fe9 n PRO 7 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2fe9 h LYS 8 N 0.00 -0.02 0.00 -0.52 6.56 -1.96 -3.21 116.57 117.42 2fe9 h LYS 8 Ca 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.43 2fe9 h LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2fe9 h LYS 8 CO 0.00 0.75 -0.79 0.77 -2.06 0.00 0.00 179.45 178.12 2fe9 h SER 9 N -0.94 0.00 0.40 0.86 0.02 -1.69 -2.90 113.55 109.30 2fe9 h SER 9 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fe9 h SER 9 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2fe9 h SER 9 CO 0.00 0.79 0.00 0.18 -1.14 0.00 0.00 176.83 176.66 2fe9 n LEU 10 N -3.47 0.00 -0.22 5.07 4.77 0.14 -2.76 117.00 120.53 2fe9 n LEU 10 Ca -0.00 0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.36 2fe9 n LEU 10 Cb 0.79 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2fe9 n LEU 10 CO 0.44 -0.15 0.37 0.35 -1.33 0.00 0.00 177.39 177.07 2fe9 n THR 11 N -1.35 0.63 -3.77 -5.08 -2.24 -1.18 -4.50 114.28 96.80 2fe9 n THR 11 Ca 0.07 -0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 2fe9 n THR 11 Cb 0.15 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.28 5.24 0.66 3.42 2.15 -1.10 -4.53 116.67 121.22 2fe9 s ASP 12 Ca 0.08 -1.09 0.10 0.00 0.43 0.00 0.00 52.55 52.07 2fe9 s ASP 12 Cb 0.07 -1.85 0.53 0.00 -0.30 0.00 0.00 42.92 41.37 2fe9 s ASP 12 CO 0.01 -0.30 1.30 -0.65 -0.17 0.00 0.00 175.17 175.35 2fe9 h PRO 13 N 8.20 0.00 0.06 4.34 0.11 -1.90 0.15 132.00 142.96 2fe9 h PRO 13 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2fe9 h PRO 13 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fe9 h PRO 13 CO 0.60 0.00 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.14 2fe9 h LYS 14 N 0.00 -0.08 -0.01 1.05 3.11 -1.93 0.11 116.57 118.83 2fe9 h LYS 14 Ca 0.01 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.61 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.86 2fe9 h LYS 14 CO -0.00 0.03 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.40 2fe9 h LEU 15 N -0.17 0.19 -0.54 5.20 -0.00 -0.96 -2.67 115.31 116.36 2fe9 h LEU 15 Ca -0.01 -0.75 0.11 0.00 -0.00 0.00 0.00 57.88 57.23 2fe9 h LEU 15 Cb 0.15 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.66 2fe9 h LEU 15 CO 0.01 0.91 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.27 2fe9 h LEU 16 N -0.51 -0.29 -1.27 1.67 3.38 -1.40 0.32 115.31 117.21 2fe9 h LEU 16 Ca -0.02 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2fe9 h LEU 16 Cb 0.93 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2fe9 h LEU 16 CO 0.04 -0.11 -0.34 0.11 0.09 0.00 0.00 178.44 178.24 2fe9 h LYS 17 N 0.09 0.00 -2.44 1.13 1.57 -0.86 -3.26 116.57 112.80 2fe9 h LYS 17 Ca 0.28 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.38 2fe9 h LYS 17 Cb 0.43 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.37 2fe9 h LYS 17 CO -0.48 0.34 -0.05 -1.71 -0.57 0.00 0.00 179.45 176.98 2fe9 n ASN 18 N -3.85 4.91 -0.36 0.86 5.15 0.10 -4.93 115.26 117.14 2fe9 n ASN 18 Ca -0.01 -3.47 0.06 0.00 -0.60 0.00 0.00 54.58 50.56 2fe9 n ASN 18 Cb 0.41 -0.89 0.14 0.00 -0.53 0.00 0.00 39.78 38.92 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 0.87 -0.42 -0.28 -1.44 2.08 -0.70 0.83 119.36 120.31 2fe9 n ILE 19 Ca 0.30 2.28 0.09 0.00 0.56 0.00 0.00 62.75 65.97 2fe9 n ILE 19 Cb 0.37 -3.15 0.23 0.00 -0.75 0.00 0.00 39.64 36.34 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 0.21 -0.30 0.38 0.11 -1.84 0.35 132.00 130.91 2fe9 h PRO 20 Ca 0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.47 2fe9 h PRO 20 Cb 0.74 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2fe9 h PRO 20 CO -1.02 0.14 -0.24 1.98 -0.21 0.00 0.00 178.00 178.65 2fe9 h MET 21 N 0.22 0.69 -0.93 1.05 4.05 0.17 -2.36 114.93 117.83 2fe9 h MET 21 Ca 0.49 -0.34 0.18 0.00 -0.28 0.00 0.00 59.70 59.74 2fe9 h MET 21 Cb 0.91 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.64 2fe9 h MET 21 CO -0.61 0.95 0.60 2.35 0.23 0.00 0.00 176.91 180.43 2fe9 h TRP 22 N 0.45 0.76 0.00 1.39 7.01 0.23 0.32 115.95 126.11 2fe9 h TRP 22 Ca 0.06 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.98 2fe9 h TRP 22 Cb 0.79 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2fe9 h TRP 22 CO 0.07 0.22 -0.50 -0.07 -2.79 0.00 0.00 178.44 175.38 2fe9 h LEU 23 N 0.59 0.00 -1.10 0.65 3.38 -0.25 -3.15 115.31 115.43 2fe9 h LEU 23 Ca 0.49 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.57 2fe9 h LEU 23 Cb 0.95 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 2fe9 h LEU 23 CO -0.23 0.50 0.61 0.50 0.09 0.00 0.00 178.44 179.90 2fe9 h LYS 24 N 0.00 0.91 0.00 1.13 3.11 0.19 1.24 116.57 123.15 2fe9 h LYS 24 Ca -0.00 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2fe9 h LYS 24 Cb 1.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2fe9 h LYS 24 CO 0.06 0.61 -0.04 0.77 -2.81 0.00 0.00 179.45 178.03 2fe9 h SER 25 N 0.94 0.00 -0.33 4.20 0.02 -1.50 -2.24 113.55 114.64 2fe9 h SER 25 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2fe9 h SER 25 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2fe9 h SER 25 CO -0.22 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 175.69 2fe9 n LEU 26 N -3.14 3.17 0.00 5.07 4.32 0.23 -4.55 117.00 122.11 2fe9 n LEU 26 Ca 0.02 -1.34 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 2fe9 n LEU 26 Cb 0.40 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2fe9 n LEU 26 CO 0.30 0.67 0.00 0.54 -1.22 0.00 0.00 177.39 177.68 2fe9 n ARG 27 N 1.31 -1.53 -0.76 3.23 3.00 0.36 -4.57 116.66 117.70 2fe9 n ARG 27 Ca 0.19 0.33 0.00 0.00 -0.01 0.00 0.00 57.85 58.36 2fe9 n ARG 27 Cb 0.57 -4.53 0.28 0.00 0.00 0.00 0.00 32.46 28.78 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2fe9 n LEU 28 N 0.00 4.98 0.11 0.55 4.77 0.64 -4.21 117.00 123.85 2fe9 n LEU 28 Ca 0.00 -2.56 0.08 0.00 -0.03 0.00 0.00 56.01 53.50 2fe9 n LEU 28 Cb 0.33 -0.67 0.41 0.00 -2.33 0.00 0.00 43.42 41.16 2fe9 n LEU 28 CO 0.00 0.63 0.73 0.00 -1.33 0.00 0.00 177.39 177.42 2fe9 n HIS 29 N 0.23 0.50 -0.33 -1.77 1.44 -1.17 0.05 115.22 114.17 2fe9 n HIS 29 Ca 0.27 0.26 -0.02 0.00 -2.01 0.00 0.00 57.72 56.22 2fe9 n HIS 29 Cb 1.09 -0.91 0.10 0.00 0.12 0.00 0.00 29.99 30.39 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 1.13 -0.91 -1.40 2.10 -1.91 -1.25 116.57 114.34 2fe9 h LYS 30 Ca 0.00 -0.07 -0.43 0.00 -2.00 0.00 0.00 60.65 58.16 2fe9 h LYS 30 Cb 0.03 -0.26 -0.25 0.00 -0.90 0.00 0.00 32.23 30.85 2fe9 h LYS 30 CO 0.00 0.75 0.53 0.66 -2.00 0.00 0.00 179.45 179.39 2fe9 n TYR 31 N -4.49 2.85 -0.03 0.07 4.01 0.11 -4.50 117.16 115.17 2fe9 n TYR 31 Ca 0.11 -1.66 -0.13 0.00 -0.16 0.00 0.00 57.90 56.06 2fe9 n TYR 31 Cb 0.05 -0.86 -0.08 0.00 -0.31 0.00 0.00 39.34 38.14 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 1.47 0.19 -0.80 7.72 4.64 -1.12 0.66 113.55 126.30 2fe9 h SER 32 Ca 0.52 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 61.51 2fe9 h SER 32 Cb 2.70 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 64.68 2fe9 h SER 32 CO 0.99 0.55 0.52 -0.78 -0.87 0.00 0.00 176.83 177.24 2fe9 h ASP 33 N -0.18 0.74 0.11 4.97 1.82 -1.79 1.48 116.42 123.57 2fe9 h ASP 33 Ca 0.02 0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.40 2fe9 h ASP 33 Cb 0.48 -0.15 0.02 0.00 0.68 0.00 0.00 39.33 40.36 2fe9 h ASP 33 CO 0.01 0.46 -1.10 0.00 -1.61 0.00 0.00 179.24 177.01 2fe9 h ALA 34 N 1.58 0.12 -0.00 -0.78 0.00 -1.83 -3.31 119.26 115.03 2fe9 h ALA 34 Ca 0.35 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2fe9 h ALA 34 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2fe9 h ALA 34 CO -0.13 0.71 -0.59 1.28 0.00 0.00 0.00 179.25 180.52 2fe9 n LEU 35 N -3.81 0.82 -0.11 0.00 4.32 0.21 -4.24 117.00 114.20 2fe9 n LEU 35 Ca -0.11 -0.22 -0.11 0.00 -0.02 0.00 0.00 56.01 55.54 2fe9 n LEU 35 Cb 0.91 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.53 2fe9 n LEU 35 CO 0.56 0.19 0.72 0.77 -1.22 0.00 0.00 177.39 178.41 2fe9 h SER 36 N 0.35 0.59 0.00 -1.43 4.64 0.20 -2.47 113.55 115.44 2fe9 h SER 36 Ca 0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2fe9 h SER 36 Cb 0.52 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2fe9 h SER 36 CO 0.00 0.81 0.12 0.61 -0.87 0.00 0.00 176.83 177.51 2fe9 n GLY 37 N -0.19 -0.57 3.28 -0.77 0.00 -1.26 -4.34 105.19 101.34 2fe9 n GLY 37 Ca -0.03 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.12 2.53 1.24 2.61 2.01 -0.93 -5.13 115.64 114.85 2fe9 s THR 38 Ca -0.01 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.94 2fe9 s THR 38 Cb 0.03 -2.03 0.31 0.00 0.01 0.00 0.00 72.50 70.82 2fe9 s THR 38 CO 0.08 0.54 1.04 -0.81 -0.69 0.00 0.00 174.62 174.78 2fe9 n PRO 39 N 3.64 -3.37 -0.03 4.92 -0.04 -1.26 -4.68 135.00 134.19 2fe9 n PRO 39 Ca -0.19 -1.68 -0.13 0.00 -0.04 0.00 0.00 63.50 61.46 2fe9 n PRO 39 Cb 0.53 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 2fe9 n PRO 39 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2fe9 h TRP 40 N -2.85 0.05 -0.51 0.54 5.08 -1.93 0.46 115.95 116.79 2fe9 h TRP 40 Ca -0.40 -0.02 0.15 0.00 1.08 0.00 0.00 58.89 59.70 2fe9 h TRP 40 Cb 1.25 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 2fe9 h TRP 40 CO 0.00 0.65 0.61 0.97 -1.28 0.00 0.00 178.44 179.39 2fe9 h ILE 41 N -0.56 0.26 0.02 0.12 6.09 -1.91 0.60 117.51 122.12 2fe9 h ILE 41 Ca -0.00 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.11 2fe9 h ILE 41 Cb 0.65 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.38 2fe9 h ILE 41 CO 0.01 0.00 -2.38 -0.62 -3.07 0.00 0.00 178.15 172.09 2fe9 n GLU 42 N -3.53 0.67 0.33 2.19 -0.58 -1.16 -3.98 120.64 114.57 2fe9 n GLU 42 Ca 0.10 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.80 2fe9 n GLU 42 Cb 0.81 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 30.03 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2fe9 h LEU 43 N 0.01 -1.18 -0.09 -4.62 7.12 0.33 0.27 115.31 117.14 2fe9 h LEU 43 Ca -0.54 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2fe9 h LEU 43 Cb 1.99 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 42.49 2fe9 h LEU 43 CO -0.04 -0.64 0.04 2.30 -0.13 0.00 0.00 178.44 179.97 2fe9 n ILE 44 N -5.55 1.77 0.51 4.05 -5.35 0.17 -0.32 119.36 114.64 2fe9 n ILE 44 Ca -0.12 0.52 0.07 0.00 -0.27 0.00 0.00 62.75 62.94 2fe9 n ILE 44 Cb 0.44 -1.52 -0.09 0.00 -1.74 0.00 0.00 39.64 36.74 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 -1.51 0.00 -0.08 4.28 4.02 -0.13 -4.53 117.16 119.21 2fe9 n TYR 45 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2fe9 n TYR 45 Cb 0.05 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.49 0.00 -3.95 7.72 4.77 0.76 -5.06 117.00 119.75 2fe9 n LEU 46 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2fe9 n LEU 46 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2fe9 n LEU 46 CO 0.29 -0.81 0.30 -1.81 -1.33 0.00 0.00 177.39 174.03 2fe9 s ASP 47 N -1.81 0.11 0.19 -1.43 1.01 -1.26 -5.01 116.67 108.47 2fe9 s ASP 47 Ca 0.00 -1.03 -0.17 0.00 0.71 0.00 0.00 52.55 52.06 2fe9 s ASP 47 Cb 0.00 0.68 0.16 0.00 1.01 0.00 0.00 42.92 44.78 2fe9 s ASP 47 CO 0.00 -1.33 1.62 -0.78 0.21 0.00 0.00 175.17 174.89 2fe9 h ASP 48 N 2.13 -0.74 0.48 0.27 1.82 -1.94 -0.99 116.42 117.45 2fe9 h ASP 48 Ca -0.27 0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2fe9 h ASP 48 Cb 1.25 0.42 -0.02 0.00 0.68 0.00 0.00 39.33 41.65 2fe9 h ASP 48 CO 0.35 -0.24 -0.49 -0.08 -1.61 0.00 0.00 179.24 177.17 2fe9 h GLU 49 N -0.08 -0.94 -0.55 0.28 4.81 -1.96 -2.70 114.58 113.43 2fe9 h GLU 49 Ca 0.25 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.66 2fe9 h GLU 49 Cb 0.47 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.96 2fe9 h GLU 49 CO -0.60 -0.63 -0.12 1.15 -0.73 0.00 0.00 179.01 178.09 2fe9 h THR 50 N -0.98 0.46 -0.99 0.32 2.02 -1.82 0.19 112.91 112.11 2fe9 h THR 50 Ca -0.06 -0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.34 2fe9 h THR 50 Cb 0.85 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 2fe9 h THR 50 CO -0.07 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.38 2fe9 h LEU 51 N 0.01 0.55 -0.46 2.58 3.38 -1.01 0.77 115.31 121.14 2fe9 h LEU 51 Ca 0.27 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 2fe9 h LEU 51 Cb 0.41 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2fe9 h LEU 51 CO -0.56 0.17 -0.37 -0.08 0.09 0.00 0.00 178.44 177.70 2fe9 h GLU 52 N 0.53 0.89 0.00 1.13 4.81 -0.37 -1.20 114.58 120.36 2fe9 h GLU 52 Ca 0.55 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2fe9 h GLU 52 Cb 1.20 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2fe9 h GLU 52 CO -0.29 1.10 -0.11 0.87 -0.73 0.00 0.00 179.01 179.84 2fe9 h LYS 53 N 0.73 0.00 0.12 1.92 1.79 0.17 -3.18 116.57 118.11 2fe9 h LYS 53 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2fe9 h LYS 53 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2fe9 h LYS 53 CO 0.09 0.11 -0.06 0.87 -1.08 0.00 0.00 179.45 179.39 2fe9 h LYS 54 N 0.00 -0.15 0.00 3.15 1.79 -0.43 -3.48 116.57 117.44 2fe9 h LYS 54 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2fe9 h LYS 54 Cb 0.27 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2fe9 h LYS 54 CO 0.01 -0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 2fe9 n GLY 55 N 1.11 0.00 0.07 3.86 0.00 -0.98 -4.76 105.19 104.49 2fe9 n GLY 55 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2fe9 n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2fe9 h VAL 56 N 0.00 0.00 -1.60 1.61 2.07 -1.40 -3.47 116.25 113.46 2fe9 h VAL 56 Ca 0.00 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 67.17 2fe9 h VAL 56 Cb 0.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 2fe9 h VAL 56 CO 0.00 0.00 -0.34 0.18 0.02 0.00 0.00 177.57 177.43 2fe9 n LEU 57 N -2.64 -1.45 -3.78 2.57 7.99 -1.26 -4.99 117.00 113.45 2fe9 n LEU 57 Ca -0.02 0.11 -0.29 0.00 -0.01 0.00 0.00 56.01 55.80 2fe9 n LEU 57 Cb 0.07 -2.17 -0.16 0.00 -0.11 0.00 0.00 43.42 41.06 2fe9 n LEU 57 CO 0.05 -0.35 -0.36 0.00 -1.51 0.00 0.00 177.39 175.22 2fe9 s ALA 58 N -2.66 1.48 0.55 -1.18 0.00 -1.26 -4.96 121.76 113.72 2fe9 s ALA 58 Ca 0.00 -1.34 0.33 0.00 0.00 0.00 0.00 51.96 50.95 2fe9 s ALA 58 Cb 0.00 -1.46 1.50 0.00 0.00 0.00 0.00 23.12 23.16 2fe9 s ALA 58 CO 0.00 -1.44 1.85 -0.07 0.00 0.00 0.00 175.76 176.10 2fe9 h LEU 59 N 8.10 0.00 -0.03 0.00 -0.00 -1.98 0.53 115.31 121.94 2fe9 h LEU 59 Ca -0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.53 2fe9 h LEU 59 Cb 1.06 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2fe9 h LEU 59 CO 0.42 0.00 -0.79 1.23 -0.00 0.00 0.00 178.44 179.30 2fe9 h GLY 60 N 0.00 0.64 0.28 0.83 0.00 -1.98 -3.13 103.07 99.71 2fe9 h GLY 60 Ca 0.46 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2fe9 h GLY 60 CO -0.00 0.96 -0.06 0.00 0.00 0.00 0.00 176.54 177.43 2fe9 h ALA 61 N 0.39 -0.18 0.76 3.60 0.00 -0.51 -3.16 119.26 120.16 2fe9 h ALA 61 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2fe9 h ALA 61 Cb 1.46 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2fe9 h ALA 61 CO 0.16 -0.24 -0.36 0.07 0.00 0.00 0.00 179.25 178.87 2fe9 h ARG 62 N -0.91 -0.98 -0.60 0.00 0.11 -0.80 0.23 114.38 111.43 2fe9 h ARG 62 Ca -0.02 0.07 0.17 0.00 0.10 0.00 0.00 59.98 60.30 2fe9 h ARG 62 Cb 0.52 0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 2fe9 h ARG 62 CO 0.03 -0.65 0.65 0.00 0.10 0.00 0.00 179.97 180.10 2fe9 h ARG 63 N -1.15 0.00 0.17 0.08 3.08 -1.72 0.39 114.38 115.23 2fe9 h ARG 63 Ca -0.10 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 2fe9 h ARG 63 Cb 0.78 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.86 2fe9 h ARG 63 CO 0.17 0.00 -1.10 -0.22 -1.07 0.00 0.00 179.97 177.75 2fe9 h LYS 64 N 0.00 0.44 -0.18 0.04 1.63 -1.39 -3.24 116.57 113.87 2fe9 h LYS 64 Ca 0.28 -0.70 0.05 0.00 -0.85 0.00 0.00 60.65 59.43 2fe9 h LYS 64 Cb 1.58 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 33.46 2fe9 h LYS 64 CO -0.00 1.33 0.24 -0.07 -3.45 0.00 0.00 179.45 177.49 2fe9 h LEU 65 N -0.09 0.00 -2.68 5.20 3.38 0.31 0.29 115.31 121.72 2fe9 h LEU 65 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2fe9 h LEU 65 Cb 1.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2fe9 h LEU 65 CO 0.21 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.66 2fe9 h LEU 66 N 0.00 0.00 0.06 1.67 3.38 -1.47 0.13 115.31 119.09 2fe9 h LEU 66 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 2fe9 h LEU 66 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 2fe9 h LEU 66 CO -0.00 0.01 -1.19 0.50 0.09 0.00 0.00 178.44 177.85 2fe9 h LYS 67 N 0.00 0.54 -0.14 1.13 3.64 -0.61 -3.11 116.57 118.02 2fe9 h LYS 67 Ca -0.00 -0.72 -0.15 0.00 -1.27 0.00 0.00 60.65 58.51 2fe9 h LYS 67 Cb 0.09 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2fe9 h LYS 67 CO 0.00 1.31 -0.56 0.00 -2.27 0.00 0.00 179.45 177.93 2fe9 h ALA 68 N 0.41 0.77 -0.92 5.00 0.00 -1.08 -2.70 119.26 120.74 2fe9 h ALA 68 Ca -0.16 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2fe9 h ALA 68 Cb 1.86 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2fe9 h ALA 68 CO 0.22 0.70 0.60 0.74 0.00 0.00 0.00 179.25 181.51 2fe9 h PHE 69 N 0.33 1.12 -0.00 0.00 0.04 -0.87 -2.26 116.94 115.30 2fe9 h PHE 69 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2fe9 h PHE 69 Cb 1.09 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2fe9 h PHE 69 CO 0.04 0.65 -0.03 0.78 -0.60 0.00 0.00 178.31 179.14 2fe9 h GLY 70 N 1.16 0.03 0.56 -1.45 0.00 -1.46 -2.36 103.07 99.55 2fe9 h GLY 70 Ca 0.36 -0.05 0.15 0.00 0.00 0.00 0.00 47.33 47.79 2fe9 h GLY 70 CO -0.11 0.04 0.56 -2.22 0.00 0.00 0.00 176.54 174.81 2fe9 h ILE 71 N -0.69 0.82 -0.12 2.60 2.04 -1.39 0.46 117.51 121.23 2fe9 h ILE 71 Ca -0.00 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 2fe9 h ILE 71 Cb 0.77 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2fe9 h ILE 71 CO 0.01 0.11 -0.24 0.58 0.00 0.00 0.00 178.15 178.61 2fe9 h VAL 72 N 0.61 1.38 0.46 1.67 2.07 -1.46 -2.92 116.25 118.06 2fe9 h VAL 72 Ca 0.43 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2fe9 h VAL 72 Cb 0.77 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2fe9 h VAL 72 CO -0.18 0.44 -0.40 0.40 0.02 0.00 0.00 177.57 177.85 2fe9 h ILE 73 N -0.04 0.19 -0.10 4.57 2.04 -0.57 0.33 117.51 123.93 2fe9 h ILE 73 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2fe9 h ILE 73 Cb 0.82 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2fe9 h ILE 73 CO 0.05 0.00 -0.34 -0.78 0.00 0.00 0.00 178.15 177.08 2fe9 h ASP 74 N -0.86 -1.05 -0.18 1.72 1.82 -1.08 0.95 116.42 117.73 2fe9 h ASP 74 Ca -0.05 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2fe9 h ASP 74 Cb 0.75 0.44 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 2fe9 h ASP 74 CO -0.03 -0.38 0.12 1.88 -1.61 0.00 0.00 179.24 179.22 2fe9 h TYR 75 N -0.44 0.23 -0.16 0.28 0.05 -1.44 0.36 116.97 115.87 2fe9 h TYR 75 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 2fe9 h TYR 75 Cb 0.57 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2fe9 h TYR 75 CO -0.41 0.15 -0.40 -0.22 -1.05 0.00 0.00 178.16 176.24 2fe9 h LYS 76 N 0.25 0.35 0.00 4.88 3.64 0.18 0.29 116.57 126.15 2fe9 h LYS 76 Ca 0.07 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 2fe9 h LYS 76 Cb -0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2fe9 h LYS 76 CO -0.01 0.69 -0.58 0.93 -2.27 0.00 0.00 179.45 178.20 2fe9 h GLU 77 N 0.29 0.00 -0.53 1.90 4.39 0.42 -2.99 114.58 118.06 2fe9 h GLU 77 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2fe9 h GLU 77 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2fe9 h GLU 77 CO 0.07 0.58 0.00 0.54 -1.16 0.00 0.00 179.01 179.04 2fe9 n ARG 78 N -3.53 2.33 -1.96 2.33 1.74 0.93 -4.88 116.66 113.63 2fe9 n ARG 78 Ca -0.00 -1.52 -0.19 0.00 -0.77 0.00 0.00 57.85 55.37 2fe9 n ARG 78 Cb 0.66 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.55 -5.21 0.01 0.55 2.03 -1.09 -4.81 116.55 108.59 2fe9 n ASP 79 Ca 0.14 0.26 0.14 0.00 0.52 0.00 0.00 54.79 55.84 2fe9 n ASP 79 Cb 0.48 -4.50 0.55 0.00 -0.72 0.00 0.00 41.12 36.94 2fe9 n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2fe9 n LEU 80 N -2.59 0.14 -4.52 -2.67 4.32 1.00 -4.74 117.00 107.94 2fe9 n LEU 80 Ca -0.21 0.45 -0.34 0.00 -0.02 0.00 0.00 56.01 55.90 2fe9 n LEU 80 Cb 0.64 -0.45 -0.12 0.00 -1.62 0.00 0.00 43.42 41.87 2fe9 n LEU 80 CO 0.27 -0.01 -0.38 -0.63 -1.22 0.00 0.00 177.39 175.43 2fe9 s ILE 81 N -3.01 3.71 0.28 -0.08 1.01 -1.21 -4.94 121.20 116.96 2fe9 s ILE 81 Ca 0.13 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 2fe9 s ILE 81 Cb 0.18 -2.57 -0.12 0.00 0.01 0.00 0.00 42.46 39.96 2fe9 s ILE 81 CO 0.56 0.55 1.54 -0.67 0.00 0.00 0.00 174.94 176.91 2fe9 n ASP 82 N 2.94 3.52 0.10 3.58 -0.08 -1.26 -4.83 116.55 120.51 2fe9 n ASP 82 Ca -0.18 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.32 2fe9 n ASP 82 Cb 0.53 -1.54 0.38 0.00 2.34 0.00 0.00 41.12 42.83 2fe9 n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2fe9 n ARG 83 N 2.14 0.10 -0.23 -0.67 5.12 -1.26 -1.55 116.66 120.30 2fe9 n ARG 83 Ca 0.10 0.53 -0.08 0.00 -1.93 0.00 0.00 57.85 56.46 2fe9 n ARG 83 Cb 0.35 -1.77 0.04 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.02 -0.46 0.55 0.02 -2.02 -2.82 113.55 109.84 2fe9 h SER 84 Ca 0.00 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2fe9 h SER 84 Cb 0.08 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2fe9 h SER 84 CO 0.00 1.01 0.29 0.00 -1.14 0.00 0.00 176.83 176.98 2fe9 h ALA 85 N 1.05 0.58 0.00 3.77 0.00 -1.63 -3.51 119.26 119.52 2fe9 h ALA 85 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2fe9 h ALA 85 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2fe9 h ALA 85 CO 0.01 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.91