#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 s ASN 2 N 0.00 4.61 0.09 6.43 4.22 -1.26 -5.05 114.94 123.99 2fe9 s ASN 2 Ca 0.00 -1.02 -0.23 0.00 -2.14 0.00 0.00 52.86 49.47 2fe9 s ASN 2 Cb 0.00 -0.37 -0.14 0.00 1.28 0.00 0.00 41.25 42.01 2fe9 s ASN 2 CO 0.00 -0.65 1.74 0.28 -2.04 0.00 0.00 177.10 176.43 2fe9 h SER 3 N 1.23 -0.00 0.00 3.54 0.02 -1.98 -3.47 113.55 112.89 2fe9 h SER 3 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2fe9 h SER 3 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2fe9 h SER 3 CO 0.65 -0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.80 2fe9 n SER 4 N -5.09 0.00 -2.74 3.07 3.41 -1.26 -4.88 113.62 106.12 2fe9 n SER 4 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.53 2fe9 n SER 4 Cb 0.03 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2fe9 n MET 5 N -1.54 -3.52 -3.67 4.33 2.00 -1.26 -4.98 117.12 108.48 2fe9 n MET 5 Ca 0.00 2.79 -0.39 0.00 0.00 0.00 0.00 57.70 60.11 2fe9 n MET 5 Cb 0.00 -4.79 -0.11 0.00 0.00 0.00 0.00 33.22 28.32 2fe9 n MET 5 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2fe9 s ASN 6 N -1.24 5.47 0.16 7.83 0.02 -1.26 -4.94 114.94 120.97 2fe9 s ASN 6 Ca -0.09 -1.64 0.08 0.00 -1.02 0.00 0.00 52.86 50.19 2fe9 s ASN 6 Cb 0.01 -1.92 0.43 0.00 0.02 0.00 0.00 41.25 39.79 2fe9 s ASN 6 CO 0.70 -0.52 1.14 -2.65 0.02 0.00 0.00 177.10 175.79 2fe9 n PRO 7 N 4.81 0.05 -0.05 -0.60 -0.02 -1.26 -0.29 135.00 137.63 2fe9 n PRO 7 Ca -0.08 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.79 2fe9 n PRO 7 Cb 0.42 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.01 0.04 -0.52 6.56 -1.95 -3.26 116.57 117.42 2fe9 h LYS 8 Ca 0.00 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2fe9 h LYS 8 Cb 0.32 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.99 2fe9 h LYS 8 CO 0.00 0.56 -1.05 0.77 -2.06 0.00 0.00 179.45 177.67 2fe9 h SER 9 N -0.99 0.62 0.22 0.86 0.02 -1.59 -3.02 113.55 109.68 2fe9 h SER 9 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2fe9 h SER 9 Cb 0.58 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2fe9 h SER 9 CO 0.00 1.34 0.00 0.18 -1.14 0.00 0.00 176.83 177.22 2fe9 n LEU 10 N -3.74 0.16 -0.25 5.07 4.77 0.60 -1.68 117.00 121.94 2fe9 n LEU 10 Ca -0.09 0.56 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 2fe9 n LEU 10 Cb 0.89 -0.56 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2fe9 n LEU 10 CO 0.53 -0.51 0.46 0.35 -1.33 0.00 0.00 177.39 176.90 2fe9 n THR 11 N -1.69 1.37 -3.80 -5.08 -2.24 -1.18 -4.64 114.28 97.01 2fe9 n THR 11 Ca 0.01 -1.70 -0.37 0.00 -2.27 0.00 0.00 64.05 59.73 2fe9 n THR 11 Cb 0.08 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.38 5.00 0.66 3.42 -1.08 -0.67 -4.55 116.67 117.07 2fe9 s ASP 12 Ca 0.24 -0.84 0.11 0.00 -0.52 0.00 0.00 52.55 51.55 2fe9 s ASP 12 Cb 0.21 -1.83 0.58 0.00 -1.46 0.00 0.00 42.92 40.42 2fe9 s ASP 12 CO 0.01 -0.21 1.32 -0.65 0.52 0.00 0.00 175.17 176.16 2fe9 h PRO 13 N 8.18 0.00 -0.08 4.34 0.11 -1.90 0.15 132.00 142.79 2fe9 h PRO 13 Ca -0.30 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.83 2fe9 h PRO 13 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2fe9 h PRO 13 CO 0.59 0.00 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.14 2fe9 h LYS 14 N 0.00 -0.01 0.19 1.05 3.11 -1.93 0.36 116.57 119.34 2fe9 h LYS 14 Ca 0.03 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.55 2fe9 h LYS 14 Cb 1.61 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 32.88 2fe9 h LYS 14 CO -0.00 -0.01 -1.36 -0.07 -2.81 0.00 0.00 179.45 175.20 2fe9 h LEU 15 N -0.01 0.86 -1.53 5.20 -0.00 -0.96 -2.83 115.31 116.04 2fe9 h LEU 15 Ca 0.04 -0.88 -0.01 0.00 -0.00 0.00 0.00 57.88 57.04 2fe9 h LEU 15 Cb 0.08 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2fe9 h LEU 15 CO -0.09 1.67 0.19 -0.07 -0.00 0.00 0.00 178.44 180.14 2fe9 h LEU 16 N 0.19 0.45 0.00 1.67 3.38 -1.28 0.31 115.31 120.04 2fe9 h LEU 16 Ca -0.23 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2fe9 h LEU 16 Cb 2.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2fe9 h LEU 16 CO 0.26 0.38 -0.54 0.11 0.09 0.00 0.00 178.44 178.74 2fe9 h LYS 17 N 0.52 0.00 -2.28 1.13 1.57 -0.37 -3.35 116.57 113.78 2fe9 h LYS 17 Ca 0.13 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.29 2fe9 h LYS 17 Cb 0.03 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.94 2fe9 h LYS 17 CO -0.02 0.30 -0.42 -1.71 -0.57 0.00 0.00 179.45 177.03 2fe9 n ASN 18 N -3.10 4.45 -0.35 0.86 5.15 -0.06 -4.94 115.26 117.26 2fe9 n ASN 18 Ca 0.01 -3.55 0.08 0.00 -0.60 0.00 0.00 54.58 50.51 2fe9 n ASN 18 Cb 0.68 -0.70 0.18 0.00 -0.53 0.00 0.00 39.78 39.41 2fe9 n ASN 18 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2fe9 h ILE 19 N 3.06 0.02 -0.91 -1.44 1.08 -1.26 0.86 117.51 118.93 2fe9 h ILE 19 Ca 0.19 -0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.90 2fe9 h ILE 19 Cb 0.58 0.02 -0.13 0.00 -3.07 0.00 0.00 36.82 34.22 2fe9 h ILE 19 CO 0.89 0.00 0.39 -0.65 -0.69 0.00 0.00 178.15 178.09 2fe9 h PRO 20 N 0.00 0.35 -0.22 2.37 0.11 -1.83 0.41 132.00 133.19 2fe9 h PRO 20 Ca 0.50 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.39 2fe9 h PRO 20 Cb 0.86 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2fe9 h PRO 20 CO -0.98 0.23 -0.65 1.98 -0.21 0.00 0.00 178.00 178.37 2fe9 h MET 21 N 0.36 0.81 -0.96 1.05 4.05 0.35 -2.73 114.93 117.86 2fe9 h MET 21 Ca 0.58 -0.58 0.18 0.00 -0.28 0.00 0.00 59.70 59.60 2fe9 h MET 21 Cb 1.15 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.96 2fe9 h MET 21 CO -0.56 1.20 0.61 2.35 0.23 0.00 0.00 176.91 180.74 2fe9 h TRP 22 N 0.59 0.86 0.00 1.39 7.01 0.21 0.34 115.95 126.36 2fe9 h TRP 22 Ca -0.02 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 2fe9 h TRP 22 Cb 1.27 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 2fe9 h TRP 22 CO 0.08 0.24 -0.49 -0.07 -2.79 0.00 0.00 178.44 175.41 2fe9 h LEU 23 N 0.66 0.00 -1.10 0.65 3.38 -0.77 -3.18 115.31 114.95 2fe9 h LEU 23 Ca 0.51 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.52 2fe9 h LEU 23 Cb 0.92 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2fe9 h LEU 23 CO -0.27 0.49 0.61 0.11 0.09 0.00 0.00 178.44 179.47 2fe9 h LYS 24 N 0.00 1.13 0.00 1.13 1.79 -0.02 0.61 116.57 121.22 2fe9 h LYS 24 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2fe9 h LYS 24 Cb 1.12 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2fe9 h LYS 24 CO 0.06 0.75 0.00 0.45 -1.08 0.00 0.00 179.45 179.63 2fe9 n SER 25 N -4.44 0.00 -0.31 0.86 2.88 -1.11 -2.41 113.62 109.09 2fe9 n SER 25 Ca 0.12 0.11 0.04 0.00 -1.33 0.00 0.00 58.87 57.82 2fe9 n SER 25 Cb 0.10 -0.35 0.03 0.00 -0.75 0.00 0.00 64.21 63.24 2fe9 n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fe9 n LEU 26 N -1.35 1.59 0.00 2.46 4.77 0.88 -4.09 117.00 121.25 2fe9 n LEU 26 Ca 0.10 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 2fe9 n LEU 26 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2fe9 n LEU 26 CO 0.20 0.32 0.00 0.54 -1.33 0.00 0.00 177.39 177.12 2fe9 n ARG 27 N 0.32 -1.15 -0.88 3.23 5.12 0.18 -4.55 116.66 118.93 2fe9 n ARG 27 Ca 0.05 0.29 -0.02 0.00 -1.93 0.00 0.00 57.85 56.23 2fe9 n ARG 27 Cb 0.21 -4.17 0.29 0.00 -1.16 0.00 0.00 32.46 27.63 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 5.44 0.09 0.55 4.32 0.20 -4.39 117.00 123.22 2fe9 n LEU 28 Ca 0.00 -3.24 0.06 0.00 -0.02 0.00 0.00 56.01 52.82 2fe9 n LEU 28 Cb 0.29 -0.69 0.34 0.00 -1.62 0.00 0.00 43.42 41.73 2fe9 n LEU 28 CO 0.00 0.83 0.69 0.00 -1.22 0.00 0.00 177.39 177.69 2fe9 n HIS 29 N -0.30 0.42 -0.25 -1.77 1.44 -1.14 -0.25 115.22 113.37 2fe9 n HIS 29 Ca 0.36 0.22 0.07 0.00 -2.01 0.00 0.00 57.72 56.36 2fe9 n HIS 29 Cb 1.25 -0.85 0.32 0.00 0.12 0.00 0.00 29.99 30.82 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 0.82 -0.70 -1.40 2.10 -1.90 0.21 116.57 115.70 2fe9 h LYS 30 Ca 0.00 -0.05 -0.30 0.00 -2.00 0.00 0.00 60.65 58.30 2fe9 h LYS 30 Cb 0.00 -0.19 -0.18 0.00 -0.90 0.00 0.00 32.23 30.97 2fe9 h LYS 30 CO 0.00 0.54 0.30 0.66 -2.00 0.00 0.00 179.45 178.96 2fe9 n TYR 31 N -4.51 2.23 -0.10 0.07 4.01 0.66 -4.57 117.16 114.95 2fe9 n TYR 31 Ca 0.14 -1.50 -0.10 0.00 -0.16 0.00 0.00 57.90 56.28 2fe9 n TYR 31 Cb 0.28 -0.70 -0.03 0.00 -0.31 0.00 0.00 39.34 38.58 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fe9 h SER 32 N 1.63 0.44 -0.07 7.72 0.02 -0.96 0.84 113.55 123.16 2fe9 h SER 32 Ca 0.36 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2fe9 h SER 32 Cb 2.30 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 64.72 2fe9 h SER 32 CO 0.75 0.52 0.04 -0.78 -1.14 0.00 0.00 176.83 176.22 2fe9 h ASP 33 N 0.33 0.07 0.43 3.07 3.58 -1.81 1.31 116.42 123.40 2fe9 h ASP 33 Ca 0.10 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2fe9 h ASP 33 Cb 0.24 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2fe9 h ASP 33 CO -0.00 0.05 -0.32 0.00 -2.88 0.00 0.00 179.24 176.08 2fe9 h ALA 34 N 1.03 1.32 -0.01 -0.78 0.00 -1.83 -3.07 119.26 115.93 2fe9 h ALA 34 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2fe9 h ALA 34 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2fe9 h ALA 34 CO -0.01 0.41 -0.63 1.28 0.00 0.00 0.00 179.25 180.29 2fe9 n LEU 35 N -3.94 1.28 -0.06 0.00 4.32 0.28 -4.45 117.00 114.43 2fe9 n LEU 35 Ca -0.02 -0.62 -0.13 0.00 -0.02 0.00 0.00 56.01 55.23 2fe9 n LEU 35 Cb 0.39 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.12 2fe9 n LEU 35 CO 0.37 0.27 0.64 -1.28 -1.22 0.00 0.00 177.39 176.17 2fe9 h SER 36 N 0.96 0.39 0.00 -1.43 0.87 0.18 -2.63 113.55 111.90 2fe9 h SER 36 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2fe9 h SER 36 Cb 0.52 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2fe9 h SER 36 CO 0.00 0.74 0.18 0.61 -0.53 0.00 0.00 176.83 177.83 2fe9 n GLY 37 N 0.06 -0.67 3.39 5.77 0.00 -1.25 -4.30 105.19 108.18 2fe9 n GLY 37 Ca -0.05 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 3.33 1.23 2.61 2.01 -0.99 -5.12 115.64 115.37 2fe9 s THR 38 Ca -0.02 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 2fe9 s THR 38 Cb 0.04 -2.44 0.30 0.00 0.01 0.00 0.00 72.50 70.41 2fe9 s THR 38 CO 0.13 0.50 1.10 -2.16 -0.69 0.00 0.00 174.62 173.50 2fe9 s PRO 39 N 0.56 -1.42 -0.02 4.92 0.04 -1.26 -4.69 135.00 133.14 2fe9 s PRO 39 Ca -0.06 -0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.66 2fe9 s PRO 39 Cb -0.15 -1.57 -0.20 0.00 0.04 0.00 0.00 34.50 32.61 2fe9 s PRO 39 CO 0.03 -3.84 1.26 0.11 0.04 0.00 0.00 177.00 174.60 2fe9 h TRP 40 N -2.67 0.02 -0.42 0.56 5.08 -1.94 0.34 115.95 116.92 2fe9 h TRP 40 Ca -0.44 -0.01 0.12 0.00 1.08 0.00 0.00 58.89 59.64 2fe9 h TRP 40 Cb 1.30 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.43 2fe9 h TRP 40 CO -2.30 0.51 0.56 0.97 -1.28 0.00 0.00 178.44 176.90 2fe9 h ILE 41 N -0.48 0.24 0.02 0.12 2.10 -1.93 0.32 117.51 117.90 2fe9 h ILE 41 Ca 0.00 0.00 -0.38 0.00 1.08 0.00 0.00 64.86 65.56 2fe9 h ILE 41 Cb 0.51 0.53 -0.06 0.00 -1.09 0.00 0.00 36.82 36.71 2fe9 h ILE 41 CO 0.00 0.00 -2.36 -0.62 -1.08 0.00 0.00 178.15 174.09 2fe9 n GLU 42 N -3.46 0.67 0.28 2.19 -0.58 -1.13 -3.95 120.64 114.66 2fe9 n GLU 42 Ca 0.08 0.14 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 2fe9 n GLU 42 Cb 0.73 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.07 -1.88 -4.62 7.12 0.26 0.15 115.31 115.27 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 1.98 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 42.45 2fe9 h LEU 43 CO -0.04 -0.56 0.30 0.16 -0.13 0.00 0.00 178.44 178.17 2fe9 h ILE 44 N -0.87 0.00 0.00 4.05 3.07 -0.75 0.31 117.51 123.32 2fe9 h ILE 44 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2fe9 h ILE 44 Cb 0.73 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2fe9 h ILE 44 CO 0.00 0.00 -1.15 -1.22 -1.05 0.00 0.00 178.15 174.73 2fe9 n TYR 45 N -2.77 0.09 -0.08 0.16 4.02 -0.49 -4.52 117.16 113.56 2fe9 n TYR 45 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2fe9 n TYR 45 Cb 0.35 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.79 0.00 -4.02 7.72 4.77 0.11 -5.06 117.00 118.73 2fe9 n LEU 46 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2fe9 n LEU 46 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2fe9 n LEU 46 CO 0.42 -1.01 0.09 -1.81 -1.33 0.00 0.00 177.39 173.75 2fe9 s ASP 47 N -1.86 -0.04 0.18 -1.43 1.01 -1.26 -5.02 116.67 108.24 2fe9 s ASP 47 Ca 0.00 -0.99 -0.18 0.00 0.71 0.00 0.00 52.55 52.09 2fe9 s ASP 47 Cb 0.00 0.54 0.14 0.00 1.01 0.00 0.00 42.92 44.60 2fe9 s ASP 47 CO 0.00 -1.06 1.62 -2.24 0.21 0.00 0.00 175.17 173.70 2fe9 h ASP 48 N 2.34 -0.75 0.22 0.27 2.03 -1.94 0.06 116.42 118.66 2fe9 h ASP 48 Ca -0.28 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2fe9 h ASP 48 Cb 1.25 0.41 -0.04 0.00 -0.83 0.00 0.00 39.33 40.12 2fe9 h ASP 48 CO 0.40 -0.24 -0.51 -0.08 -1.03 0.00 0.00 179.24 177.78 2fe9 h GLU 49 N -0.11 -0.77 -0.65 4.15 4.81 -1.96 -1.84 114.58 118.21 2fe9 h GLU 49 Ca 0.23 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.65 2fe9 h GLU 49 Cb 0.47 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 29.91 2fe9 h GLU 49 CO -0.56 -0.51 0.04 1.15 -0.73 0.00 0.00 179.01 178.40 2fe9 h THR 50 N -0.80 0.49 -0.97 0.32 2.02 -1.81 0.26 112.91 112.42 2fe9 h THR 50 Ca -0.02 -0.05 0.18 0.00 0.77 0.00 0.00 66.41 67.28 2fe9 h THR 50 Cb 0.77 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.40 2fe9 h THR 50 CO -0.22 0.03 0.57 -0.07 0.37 0.00 0.00 175.52 176.20 2fe9 h LEU 51 N 0.15 0.73 -0.79 2.58 3.38 -0.48 0.54 115.31 121.42 2fe9 h LEU 51 Ca 0.35 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 2fe9 h LEU 51 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2fe9 h LEU 51 CO -0.53 0.27 -0.01 -0.08 0.09 0.00 0.00 178.44 178.18 2fe9 h GLU 52 N 0.74 0.90 -0.02 1.13 4.81 0.28 0.44 114.58 122.86 2fe9 h GLU 52 Ca 0.55 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2fe9 h GLU 52 Cb 0.83 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2fe9 h GLU 52 CO -0.38 0.90 -0.19 0.87 -0.73 0.00 0.00 179.01 179.48 2fe9 h LYS 53 N 0.83 0.03 0.11 1.92 1.79 0.13 -3.08 116.57 118.30 2fe9 h LYS 53 Ca 0.15 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2fe9 h LYS 53 Cb 0.51 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2fe9 h LYS 53 CO 0.03 0.23 -0.05 0.87 -1.08 0.00 0.00 179.45 179.44 2fe9 h LYS 54 N 0.03 -0.14 0.00 3.15 1.79 -0.40 -3.48 116.57 117.52 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 0.36 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2fe9 h LYS 54 CO 0.03 0.24 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 2fe9 n GLY 55 N 1.13 0.00 3.58 3.86 0.00 -0.56 -4.74 105.19 108.46 2fe9 n GLY 55 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2fe9 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fe9 s VAL 56 N 0.00 3.53 0.13 1.61 1.01 0.15 -4.68 120.40 122.15 2fe9 s VAL 56 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2fe9 s VAL 56 Cb 0.00 -4.55 -0.20 0.00 0.00 0.00 0.00 36.38 31.64 2fe9 s VAL 56 CO 0.00 -0.97 1.30 -0.07 0.00 0.00 0.00 175.10 175.36 2fe9 h LEU 57 N 17.84 0.08 -8.96 3.92 4.07 -1.80 -2.82 115.31 127.63 2fe9 h LEU 57 Ca 0.21 -0.08 -0.59 0.00 0.08 0.00 0.00 57.88 57.50 2fe9 h LEU 57 Cb 0.94 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 2fe9 h LEU 57 CO 1.22 1.01 1.48 0.00 -1.08 0.00 0.00 178.44 181.07 2fe9 n ALA 58 N -2.39 1.73 -0.09 1.53 0.00 -1.26 -4.79 120.51 115.24 2fe9 n ALA 58 Ca -0.02 -0.22 0.25 0.00 0.00 0.00 0.00 53.44 53.45 2fe9 n ALA 58 Cb 0.91 -2.89 0.71 0.00 0.00 0.00 0.00 19.45 18.18 2fe9 n ALA 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fe9 h LEU 59 N 14.74 0.00 -0.05 0.00 -0.00 -1.99 0.18 115.31 128.19 2fe9 h LEU 59 Ca -0.40 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.22 2fe9 h LEU 59 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.92 2fe9 h LEU 59 CO 0.96 0.00 -0.95 1.23 -0.00 0.00 0.00 178.44 179.68 2fe9 h GLY 60 N 0.00 0.81 0.45 0.83 0.00 -1.97 -2.92 103.07 100.28 2fe9 h GLY 60 Ca 0.34 -1.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.30 2fe9 h GLY 60 CO -0.00 1.18 -0.13 0.00 0.00 0.00 0.00 176.54 177.58 2fe9 h ALA 61 N 0.44 0.05 0.54 3.60 0.00 -1.12 -3.05 119.26 119.72 2fe9 h ALA 61 Ca -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2fe9 h ALA 61 Cb 1.60 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.40 2fe9 h ALA 61 CO 0.19 -0.02 -0.26 0.07 0.00 0.00 0.00 179.25 179.23 2fe9 h ARG 62 N -0.49 -0.70 -0.21 0.00 0.11 -1.07 -1.14 114.38 110.88 2fe9 h ARG 62 Ca -0.01 0.05 0.06 0.00 0.10 0.00 0.00 59.98 60.18 2fe9 h ARG 62 Cb 0.81 0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 2fe9 h ARG 62 CO 0.03 -0.47 0.46 0.07 0.10 0.00 0.00 179.97 180.16 2fe9 h ARG 63 N -1.10 0.00 0.19 0.08 0.11 -1.70 0.38 114.38 112.33 2fe9 h ARG 63 Ca -0.07 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.70 2fe9 h ARG 63 Cb 0.56 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.67 2fe9 h ARG 63 CO 0.12 0.00 -1.31 -0.22 0.10 0.00 0.00 179.97 178.66 2fe9 h LYS 64 N 0.00 0.55 -0.11 0.08 3.64 -1.39 -3.22 116.57 116.11 2fe9 h LYS 64 Ca 0.10 -0.85 0.03 0.00 -1.27 0.00 0.00 60.65 58.67 2fe9 h LYS 64 Cb 1.02 0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2fe9 h LYS 64 CO -0.00 1.40 0.12 -0.07 -2.27 0.00 0.00 179.45 178.63 2fe9 h LEU 65 N 0.14 0.00 -2.64 5.20 3.38 0.11 0.12 115.31 121.62 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 -0.01 -0.07 0.09 0.00 0.00 178.44 178.70 2fe9 h LEU 66 N 0.00 0.00 0.11 1.67 3.38 -1.49 0.27 115.31 119.25 2fe9 h LEU 66 Ca 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 2fe9 h LEU 66 Cb 0.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2fe9 h LEU 66 CO -0.00 0.01 -1.26 0.50 0.09 0.00 0.00 178.44 177.78 2fe9 h LYS 67 N 0.00 0.54 0.00 1.13 3.11 -0.93 -3.15 116.57 117.28 2fe9 h LYS 67 Ca -0.00 -0.76 -0.10 0.00 -2.81 0.00 0.00 60.65 56.98 2fe9 h LYS 67 Cb 0.10 0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2fe9 h LYS 67 CO 0.00 1.34 -0.49 0.00 -2.81 0.00 0.00 179.45 177.50 2fe9 h ALA 68 N 0.35 0.92 -0.68 5.00 0.00 -1.09 -3.10 119.26 120.65 2fe9 h ALA 68 Ca -0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2fe9 h ALA 68 Cb 1.93 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2fe9 h ALA 68 CO 0.23 0.61 0.33 0.74 0.00 0.00 0.00 179.25 181.16 2fe9 h PHE 69 N 0.00 0.98 -0.06 0.00 0.04 -0.54 -2.98 116.94 114.39 2fe9 h PHE 69 Ca -0.00 -0.05 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 2fe9 h PHE 69 Cb 1.05 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.90 2fe9 h PHE 69 CO 0.00 0.73 -0.57 0.78 -0.60 0.00 0.00 178.31 178.65 2fe9 h GLY 70 N 0.95 0.54 0.57 -1.45 0.00 -1.52 -2.93 103.07 99.23 2fe9 h GLY 70 Ca 0.24 -0.83 0.14 0.00 0.00 0.00 0.00 47.33 46.88 2fe9 h GLY 70 CO -0.03 0.74 0.56 -2.22 0.00 0.00 0.00 176.54 175.58 2fe9 h ILE 71 N 0.04 0.83 -0.13 2.60 2.04 -1.53 -0.82 117.51 120.53 2fe9 h ILE 71 Ca -0.05 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2fe9 h ILE 71 Cb 1.24 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2fe9 h ILE 71 CO 0.11 0.11 -0.17 0.58 0.00 0.00 0.00 178.15 178.79 2fe9 h VAL 72 N 0.63 1.36 -0.44 1.67 2.07 -1.55 -2.98 116.25 117.00 2fe9 h VAL 72 Ca 0.43 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.65 2fe9 h VAL 72 Cb 0.74 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 2fe9 h VAL 72 CO -0.18 0.40 0.01 0.40 0.02 0.00 0.00 177.57 178.22 2fe9 h ILE 73 N -0.04 0.67 0.80 4.57 2.04 -1.00 -0.52 117.51 124.04 2fe9 h ILE 73 Ca 0.02 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2fe9 h ILE 73 Cb 0.73 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2fe9 h ILE 73 CO 0.04 0.02 -0.39 -0.78 0.00 0.00 0.00 178.15 177.05 2fe9 h ASP 74 N 0.12 -0.91 -0.74 1.72 3.58 -1.34 0.11 116.42 118.96 2fe9 h ASP 74 Ca 0.22 0.03 0.18 0.00 0.42 0.00 0.00 57.03 57.88 2fe9 h ASP 74 Cb 0.32 0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 2fe9 h ASP 74 CO -0.36 -0.55 0.51 1.88 -2.88 0.00 0.00 179.24 177.84 2fe9 h TYR 75 N -1.28 0.28 -0.23 0.28 -1.99 -1.48 0.73 116.97 113.28 2fe9 h TYR 75 Ca -0.11 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 2fe9 h TYR 75 Cb 0.83 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 2fe9 h TYR 75 CO 0.00 0.10 0.06 -0.22 -0.00 0.00 0.00 178.16 178.10 2fe9 h LYS 76 N 0.23 0.37 0.00 4.88 3.64 -0.90 0.34 116.57 125.13 2fe9 h LYS 76 Ca 0.36 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2fe9 h LYS 76 Cb 1.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2fe9 h LYS 76 CO -0.08 0.47 0.00 0.93 -2.27 0.00 0.00 179.45 178.50 2fe9 h GLU 77 N 0.20 0.00 -0.73 1.90 5.08 0.28 -2.47 114.58 118.83 2fe9 h GLU 77 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 2fe9 h GLU 77 Cb 0.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.41 2fe9 h GLU 77 CO -0.00 0.00 0.23 0.54 -1.00 0.00 0.00 179.01 178.78 2fe9 n ARG 78 N -2.40 3.96 -2.30 2.33 1.74 0.20 -4.89 116.66 115.30 2fe9 n ARG 78 Ca 0.02 -3.08 -0.07 0.00 -0.77 0.00 0.00 57.85 53.95 2fe9 n ARG 78 Cb 0.25 -2.23 -0.01 0.00 -1.02 0.00 0.00 32.46 29.45 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2fe9 n ASP 79 N 0.00 -2.44 0.10 0.55 5.68 -0.93 -4.76 116.55 114.76 2fe9 n ASP 79 Ca 0.39 0.31 0.08 0.00 -0.50 0.00 0.00 54.79 55.08 2fe9 n ASP 79 Cb 1.36 -2.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2fe9 h LEU 80 N 0.00 0.00 -9.53 -2.12 4.07 -0.54 -3.46 115.31 103.74 2fe9 h LEU 80 Ca -0.15 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.17 2fe9 h LEU 80 Cb 1.02 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.68 2fe9 h LEU 80 CO 0.19 0.16 -0.40 -0.63 -1.08 0.00 0.00 178.44 176.68 2fe9 s ILE 81 N -3.22 5.36 0.19 1.22 1.01 -1.16 -4.95 121.20 119.65 2fe9 s ILE 81 Ca 0.00 0.39 -0.32 0.00 0.00 0.00 0.00 60.65 60.72 2fe9 s ILE 81 Cb 0.09 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 2fe9 s ILE 81 CO 0.78 0.54 1.70 -0.62 0.00 0.00 0.00 174.94 177.34 2fe9 s ASP 82 N -0.54 6.42 0.18 3.58 -1.08 -1.26 -4.83 116.67 119.13 2fe9 s ASP 82 Ca 0.16 2.82 0.13 0.00 -0.52 0.00 0.00 52.55 55.13 2fe9 s ASP 82 Cb -0.13 -2.60 0.67 0.00 -1.46 0.00 0.00 42.92 39.40 2fe9 s ASP 82 CO 0.05 -0.95 1.39 0.54 0.52 0.00 0.00 175.17 176.72 2fe9 n ARG 83 N 4.11 0.08 -0.07 4.34 5.12 -1.26 -1.27 116.66 127.71 2fe9 n ARG 83 Ca 0.16 0.56 -0.08 0.00 -1.93 0.00 0.00 57.85 56.55 2fe9 n ARG 83 Cb 0.36 -1.75 0.08 0.00 -1.16 0.00 0.00 32.46 29.99 2fe9 n ARG 83 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2fe9 h SER 84 N 0.00 0.77 -0.71 0.55 0.87 -2.03 -2.93 113.55 110.07 2fe9 h SER 84 Ca 0.00 -0.29 0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2fe9 h SER 84 Cb 0.03 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.72 2fe9 h SER 84 CO 0.00 1.00 0.41 0.00 -0.53 0.00 0.00 176.83 177.71 2fe9 h ALA 85 N 1.05 0.96 0.00 6.23 0.00 -1.54 -3.51 119.26 122.46 2fe9 h ALA 85 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fe9 h ALA 85 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2fe9 h ALA 85 CO 0.06 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.07