#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4v s ILE 3 N 0.00 1.39 0.66 0.52 1.09 -1.26 -5.12 121.20 118.48 2f4v s ILE 3 Ca 0.00 -1.64 -0.14 0.00 -1.10 0.00 0.00 60.65 57.76 2f4v s ILE 3 Cb 0.00 -1.98 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 2f4v s ILE 3 CO 0.00 -0.56 1.09 0.42 -0.10 0.00 0.00 174.94 175.79 2f4v s THR 4 N 1.37 3.46 0.40 2.92 -4.23 -1.26 -4.57 115.64 113.72 2f4v s THR 4 Ca 0.08 0.63 0.19 0.00 -1.18 0.00 0.00 61.69 61.41 2f4v s THR 4 Cb -0.18 -3.17 0.39 0.00 1.34 0.00 0.00 72.50 70.88 2f4v s THR 4 CO -0.17 -0.46 1.75 0.11 -0.54 0.00 0.00 174.62 175.31 2f4v h LYS 5 N -0.09 0.36 0.00 3.99 1.57 -2.00 0.38 116.57 120.79 2f4v h LYS 5 Ca -0.46 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 2f4v h LYS 5 Cb 1.23 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2f4v h LYS 5 CO 0.55 0.24 -0.50 1.05 -0.57 0.00 0.00 179.45 180.22 2f4v h GLU 6 N 0.37 0.00 -0.54 3.15 9.09 -1.98 -1.87 114.58 122.81 2f4v h GLU 6 Ca 0.62 0.00 0.05 0.00 0.05 0.00 0.00 59.36 60.08 2f4v h GLU 6 Cb 1.59 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.63 2f4v h GLU 6 CO -0.32 0.99 -0.32 0.39 0.05 0.00 0.00 179.01 179.80 2f4v n GLU 7 N -4.54 -0.24 -0.06 1.06 1.02 -0.31 0.13 120.64 117.70 2f4v n GLU 7 Ca -0.19 0.84 -0.10 0.00 -0.02 0.00 0.00 57.16 57.69 2f4v n GLU 7 Cb 0.56 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.70 2f4v n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2f4v h LYS 8 N 0.00 -0.36 -0.30 3.49 3.64 -0.36 -3.05 116.57 119.63 2f4v h LYS 8 Ca 0.09 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2f4v h LYS 8 Cb 0.22 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2f4v h LYS 8 CO -0.51 -0.24 0.17 1.96 -2.27 0.00 0.00 179.45 178.57 2f4v h GLN 9 N -0.37 0.34 0.00 1.90 1.08 0.20 0.84 115.11 119.09 2f4v h GLN 9 Ca 0.12 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2f4v h GLN 9 Cb 0.58 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2f4v h GLN 9 CO -0.47 0.23 0.06 1.17 -0.95 0.00 0.00 178.83 178.87 2f4v n LYS 10 N -4.92 0.00 0.00 1.46 4.81 0.22 -0.39 118.16 119.34 2f4v n LYS 10 Ca -0.01 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2f4v n LYS 10 Cb 0.05 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.54 2f4v n LYS 10 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2f4v n VAL 11 N -1.30 0.00 -0.34 3.15 0.31 0.28 -3.84 118.33 116.59 2f4v n VAL 11 Ca 0.00 0.20 0.33 0.00 -0.01 0.00 0.00 64.34 64.85 2f4v n VAL 11 Cb 0.06 -0.66 0.60 0.00 -0.91 0.00 0.00 33.84 32.93 2f4v n VAL 11 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2f4v h ILE 12 N 0.00 0.00 0.00 2.52 2.04 -0.62 0.76 117.51 122.21 2f4v h ILE 12 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2f4v h ILE 12 Cb 0.00 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2f4v h ILE 12 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.82 2f4v n GLN 13 N -5.21 0.00 -0.53 2.37 -0.06 -0.32 -0.85 117.38 112.78 2f4v n GLN 13 Ca 0.38 0.44 0.41 0.00 -2.00 0.00 0.00 57.00 56.23 2f4v n GLN 13 Cb 1.32 -1.30 0.65 0.00 -4.06 0.00 0.00 30.24 26.85 2f4v n GLN 13 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2f4v n GLU 14 N -1.62 -0.01 -0.08 3.69 4.07 0.26 -3.07 120.64 123.88 2f4v n GLU 14 Ca 0.00 0.95 -0.16 0.00 -0.06 0.00 0.00 57.16 57.90 2f4v n GLU 14 Cb 0.00 -2.09 -0.05 0.00 -0.06 0.00 0.00 31.44 29.24 2f4v n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2f4v n PHE 15 N -3.85 0.00 -0.57 4.31 3.01 -0.99 -5.00 117.46 114.36 2f4v n PHE 15 Ca 0.36 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.59 2f4v n PHE 15 Cb 1.57 -0.58 -0.04 0.00 -0.01 0.00 0.00 39.48 40.43 2f4v n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2f4v n ALA 16 N -4.02 -0.39 0.13 4.37 0.00 -0.03 -4.76 120.51 115.81 2f4v n ALA 16 Ca -0.28 0.16 0.16 0.00 0.00 0.00 0.00 53.44 53.48 2f4v n ALA 16 Cb 0.62 -0.66 0.71 0.00 0.00 0.00 0.00 19.45 20.12 2f4v n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f4v h ARG 17 N 1.89 0.00 -2.70 0.00 3.08 -1.90 -3.40 114.38 111.36 2f4v h ARG 17 Ca -0.13 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 2f4v h ARG 17 Cb 0.47 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.24 2f4v h ARG 17 CO 0.34 0.00 -0.36 -0.59 -1.07 0.00 0.00 179.97 178.29 2f4v s PHE 18 N -4.94 -0.58 -0.08 3.04 -0.12 -1.26 -5.11 117.98 108.93 2f4v s PHE 18 Ca -0.05 1.23 -0.21 0.00 -0.05 0.00 0.00 56.93 57.86 2f4v s PHE 18 Cb 0.18 0.21 -0.10 0.00 -0.63 0.00 0.00 43.02 42.68 2f4v s PHE 18 CO 0.67 -0.36 0.61 -2.30 -0.05 0.00 0.00 175.22 173.79 2f4v n PRO 19 N 4.58 0.00 -1.97 1.99 -0.01 -1.26 -2.45 135.00 135.87 2f4v n PRO 19 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.30 2f4v n PRO 19 Cb 0.53 -0.73 0.00 0.00 -0.01 0.00 0.00 33.50 33.29 2f4v n PRO 19 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2f4v n GLY 20 N 1.13 0.81 3.22 -1.23 0.00 -1.26 -5.04 105.19 102.82 2f4v n GLY 20 Ca 0.12 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2f4v n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f4v s ASP 21 N -2.86 6.02 0.00 1.61 3.68 -1.03 -4.87 116.67 119.22 2f4v s ASP 21 Ca 0.00 -2.61 0.25 0.00 2.13 0.00 0.00 52.55 52.33 2f4v s ASP 21 Cb 0.00 -2.05 0.52 0.00 -1.45 0.00 0.00 42.92 39.94 2f4v s ASP 21 CO 0.00 -0.52 1.43 0.35 0.13 0.00 0.00 175.17 176.56 2f4v n THR 22 N 3.97 0.00 -0.53 1.71 -2.24 -1.26 -4.47 114.28 111.45 2f4v n THR 22 Ca 0.07 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2f4v n THR 22 Cb 0.42 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2f4v n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f4v n GLY 23 N 1.30 -0.17 3.71 3.38 0.00 -1.26 -4.87 105.19 107.28 2f4v n GLY 23 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2f4v n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2f4v n SER 24 N -0.03 2.82 -0.16 1.61 7.64 -1.26 -4.74 113.62 119.50 2f4v n SER 24 Ca 0.00 1.15 -0.11 0.00 1.01 0.00 0.00 58.87 60.92 2f4v n SER 24 Cb 0.17 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 61.79 2f4v n SER 24 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2f4v h THR 25 N 2.34 0.06 -0.30 0.44 2.02 -1.98 0.48 112.91 115.96 2f4v h THR 25 Ca -0.48 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.73 2f4v h THR 25 Cb 1.28 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2f4v h THR 25 CO 0.61 0.00 -0.18 -0.62 0.37 0.00 0.00 175.52 175.71 2f4v n GLU 26 N -5.40 -0.13 0.09 6.66 4.71 -1.26 -1.12 120.64 124.19 2f4v n GLU 26 Ca -0.01 0.95 -0.12 0.00 -0.01 0.00 0.00 57.16 57.97 2f4v n GLU 26 Cb 0.35 -1.41 -0.05 0.00 -1.01 0.00 0.00 31.44 29.31 2f4v n GLU 26 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2f4v h VAL 27 N 0.00 0.57 -0.04 2.62 2.07 -1.23 -0.75 116.25 119.49 2f4v h VAL 27 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2f4v h VAL 27 Cb 0.12 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2f4v h VAL 27 CO -0.28 0.00 -0.25 1.56 0.02 0.00 0.00 177.57 178.62 2f4v h GLN 28 N -0.34 -0.28 -0.48 1.57 4.20 0.09 0.15 115.11 120.03 2f4v h GLN 28 Ca 0.04 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.90 2f4v h GLN 28 Cb 0.37 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2f4v h GLN 28 CO -0.13 -0.18 0.86 0.28 -0.67 0.00 0.00 178.83 178.99 2f4v h VAL 29 N -0.29 0.08 0.00 -0.54 2.07 -0.40 0.28 116.25 117.45 2f4v h VAL 29 Ca 0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 2f4v h VAL 29 Cb 0.32 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2f4v h VAL 29 CO -0.19 0.00 -0.62 0.00 0.02 0.00 0.00 177.57 176.78 2f4v h ALA 30 N 0.73 0.13 -0.24 1.67 0.00 0.66 -2.54 119.26 119.66 2f4v h ALA 30 Ca 0.23 -0.82 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2f4v h ALA 30 Cb 1.95 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 20.04 2f4v h ALA 30 CO -0.00 0.36 -0.32 -0.07 0.00 0.00 0.00 179.25 179.22 2f4v h LEU 31 N -1.00 -1.02 -0.42 0.00 4.07 0.14 -0.96 115.31 116.13 2f4v h LEU 31 Ca -0.17 0.16 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2f4v h LEU 31 Cb 1.08 0.45 -0.06 0.00 1.08 0.00 0.00 40.66 43.21 2f4v h LEU 31 CO -0.10 -0.34 -0.35 -0.07 -1.08 0.00 0.00 178.44 176.51 2f4v h LEU 32 N -0.33 -1.21 0.00 1.67 -0.00 -0.74 0.49 115.31 115.19 2f4v h LEU 32 Ca 0.13 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2f4v h LEU 32 Cb 0.54 0.52 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2f4v h LEU 32 CO -0.43 -0.19 0.00 0.41 -0.00 0.00 0.00 178.44 178.23 2f4v n THR 33 N -4.33 0.00 0.00 0.22 -1.04 -0.96 -0.47 114.28 107.71 2f4v n THR 33 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2f4v n THR 33 Cb 0.18 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2f4v n THR 33 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2f4v n LEU 34 N -0.99 0.80 -0.23 -4.42 -0.00 0.16 -3.65 117.00 108.66 2f4v n LEU 34 Ca 0.11 0.42 0.20 0.00 -0.00 0.00 0.00 56.01 56.75 2f4v n LEU 34 Cb 0.05 -0.34 0.53 0.00 -0.00 0.00 0.00 43.42 43.66 2f4v n LEU 34 CO 0.08 -0.34 1.23 -0.09 -0.00 0.00 0.00 177.39 178.27 2f4v h ARG 35 N 0.00 0.35 0.56 1.96 2.43 0.87 0.57 114.38 121.12 2f4v h ARG 35 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2f4v h ARG 35 Cb 0.00 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2f4v h ARG 35 CO 0.00 0.23 -0.27 0.82 -1.51 0.00 0.00 179.97 179.25 2f4v h ILE 36 N 0.36 0.45 0.00 1.20 2.04 -0.99 -2.57 117.51 118.01 2f4v h ILE 36 Ca 0.46 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2f4v h ILE 36 Cb 1.22 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2f4v h ILE 36 CO -0.16 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.59 2f4v n ASN 37 N -5.40 0.28 -0.05 1.72 5.03 0.20 -1.04 115.26 115.99 2f4v n ASN 37 Ca -0.12 -1.24 -0.10 0.00 0.87 0.00 0.00 54.58 53.98 2f4v n ASN 37 Cb 0.31 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.90 2f4v n ASN 37 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2f4v n ARG 38 N -0.19 0.32 -0.37 3.52 5.12 -1.05 -4.29 116.66 119.72 2f4v n ARG 38 Ca 0.00 0.13 -0.01 0.00 -1.93 0.00 0.00 57.85 56.05 2f4v n ARG 38 Cb 0.07 -1.05 0.05 0.00 -1.16 0.00 0.00 32.46 30.36 2f4v n ARG 38 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2f4v h LEU 39 N -0.58 -1.38 -0.25 0.55 3.38 -1.08 0.81 115.31 116.77 2f4v h LEU 39 Ca -0.17 0.31 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2f4v h LEU 39 Cb 0.89 0.74 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 2f4v h LEU 39 CO -0.10 -0.29 -0.15 -1.20 0.09 0.00 0.00 178.44 176.79 2f4v n SER 40 N -5.48 -0.26 -0.07 -0.43 7.64 -0.21 0.22 113.62 115.03 2f4v n SER 40 Ca 0.10 0.50 0.12 0.00 1.01 0.00 0.00 58.87 60.60 2f4v n SER 40 Cb 0.41 -0.09 0.23 0.00 -1.01 0.00 0.00 64.21 63.75 2f4v n SER 40 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2f4v n GLU 41 N -3.98 0.24 -0.07 1.43 4.71 0.25 -2.47 120.64 120.75 2f4v n GLU 41 Ca 0.00 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.16 56.86 2f4v n GLU 41 Cb 0.06 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.87 2f4v n GLU 41 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2f4v h HIS 42 N 0.36 0.01 0.00 -0.32 -0.00 0.14 -3.33 115.15 112.01 2f4v h HIS 42 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2f4v h HIS 42 Cb 0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2f4v h HIS 42 CO 0.00 1.02 0.00 -0.11 -0.00 0.00 0.00 177.93 178.84 2f4v n LEU 43 N -4.60 0.00 -0.02 0.26 0.00 0.61 -2.55 117.00 110.71 2f4v n LEU 43 Ca -0.11 0.41 -0.16 0.00 0.00 0.00 0.00 56.01 56.16 2f4v n LEU 43 Cb 0.49 -0.41 -0.11 0.00 0.00 0.00 0.00 43.42 43.39 2f4v n LEU 43 CO 0.34 -0.36 0.37 0.11 0.00 0.00 0.00 177.39 177.85 2f4v h LYS 44 N 0.00 0.28 -7.47 1.96 1.57 -1.59 -3.28 116.57 108.04 2f4v h LYS 44 Ca 0.00 -0.27 -0.49 0.00 -1.87 0.00 0.00 60.65 58.02 2f4v h LYS 44 Cb 0.06 0.07 0.08 0.00 0.08 0.00 0.00 32.23 32.51 2f4v h LYS 44 CO 0.00 0.96 0.40 0.14 -0.57 0.00 0.00 179.45 180.38 2f4v s VAL 45 N -3.30 3.37 -0.67 0.50 -7.23 -1.06 -4.30 120.40 107.71 2f4v s VAL 45 Ca -0.15 0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2f4v s VAL 45 Cb 0.02 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2f4v s VAL 45 CO 0.77 -0.57 0.50 0.00 -0.31 0.00 0.00 175.10 175.50 2f4v n HIS 46 N -3.01 -1.72 0.00 2.82 -0.00 -1.26 -4.75 115.22 107.31 2f4v n HIS 46 Ca 0.07 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 2f4v n HIS 46 Cb 0.58 -2.21 0.00 0.00 -0.00 0.00 0.00 29.99 28.35 2f4v n HIS 46 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2f4v n LYS 47 N -2.13 0.00 -0.02 -1.40 0.00 -1.24 -2.53 118.16 110.85 2f4v n LYS 47 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 2f4v n LYS 47 Cb 0.58 -1.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.56 2f4v n LYS 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2f4v n LYS 48 N 0.28 1.48 -0.26 -1.58 5.02 -1.26 -4.72 118.16 117.12 2f4v n LYS 48 Ca 0.00 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.22 2f4v n LYS 48 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 2f4v n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2f4v n ASP 49 N -1.96 1.43 0.15 4.39 2.03 -1.05 -4.58 116.55 116.95 2f4v n ASP 49 Ca -0.05 -1.74 0.05 0.00 0.52 0.00 0.00 54.79 53.56 2f4v n ASP 49 Cb 0.42 -0.38 0.26 0.00 -0.72 0.00 0.00 41.12 40.70 2f4v n ASP 49 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f4v n HIS 50 N 2.80 0.33 -0.02 -0.67 8.25 -1.26 -0.49 115.22 124.17 2f4v n HIS 50 Ca 0.11 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2f4v n HIS 50 Cb 0.24 -0.52 -0.14 0.00 1.12 0.00 0.00 29.99 30.70 2f4v n HIS 50 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2f4v n HIS 51 N -1.93 1.06 -0.05 4.41 8.25 -1.26 -3.86 115.22 121.84 2f4v n HIS 51 Ca -0.01 0.31 -0.14 0.00 -0.26 0.00 0.00 57.72 57.63 2f4v n HIS 51 Cb 0.39 -1.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.25 2f4v n HIS 51 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2f4v h SER 52 N 0.03 0.44 -0.99 0.41 0.02 -1.18 -3.30 113.55 108.98 2f4v h SER 52 Ca -0.35 -0.56 0.17 0.00 -0.84 0.00 0.00 61.79 60.21 2f4v h SER 52 Cb 2.03 -0.13 -0.17 0.00 0.14 0.00 0.00 62.40 64.27 2f4v h SER 52 CO 0.08 0.92 -0.35 -0.74 -1.14 0.00 0.00 176.83 175.60 2f4v h HIS 53 N -0.02 -0.92 -0.87 3.45 2.76 -1.60 1.33 115.15 119.27 2f4v h HIS 53 Ca 0.00 0.10 0.14 0.00 -2.20 0.00 0.00 60.37 58.42 2f4v h HIS 53 Cb 0.85 0.55 -0.15 0.00 1.55 0.00 0.00 27.41 30.21 2f4v h HIS 53 CO 0.10 -0.41 -0.36 -0.09 -1.30 0.00 0.00 177.93 175.88 2f4v h ARG 54 N -0.00 -0.04 -0.42 5.26 2.43 -1.67 -0.60 114.38 119.34 2f4v h ARG 54 Ca 0.38 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.64 2f4v h ARG 54 Cb 0.63 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.11 2f4v h ARG 54 CO -1.00 -0.03 -0.21 0.78 -1.51 0.00 0.00 179.97 178.00 2f4v h GLY 55 N -0.05 0.07 0.02 2.80 0.00 0.16 -1.27 103.07 104.81 2f4v h GLY 55 Ca 0.32 0.27 0.11 0.00 0.00 0.00 0.00 47.33 48.03 2f4v h GLY 55 CO -0.90 -0.20 -0.06 -2.00 0.00 0.00 0.00 176.54 173.38 2f4v h LEU 56 N -0.13 -0.35 -1.91 3.11 6.46 -0.66 -0.32 115.31 121.52 2f4v h LEU 56 Ca 0.20 0.14 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 2f4v h LEU 56 Cb 0.44 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2f4v h LEU 56 CO -0.50 -0.13 0.35 0.25 -0.62 0.00 0.00 178.44 177.79 2f4v h LEU 57 N 0.06 0.09 0.09 2.25 5.85 -0.20 0.57 115.31 124.02 2f4v h LEU 57 Ca 0.27 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 2f4v h LEU 57 Cb 0.41 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.44 2f4v h LEU 57 CO -0.50 0.05 -0.55 0.24 -0.34 0.00 0.00 178.44 177.35 2f4v h MET 58 N 0.10 0.22 -0.00 1.25 2.86 -0.85 0.13 114.93 118.63 2f4v h MET 58 Ca 0.24 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2f4v h MET 58 Cb 0.80 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2f4v h MET 58 CO -0.02 1.15 -0.52 0.52 1.06 0.00 0.00 176.91 179.10 2f4v h MET 59 N -0.54 -0.63 -0.63 1.72 2.86 0.78 2.03 114.93 120.52 2f4v h MET 59 Ca -0.09 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.72 2f4v h MET 59 Cb 1.42 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 33.12 2f4v h MET 59 CO 0.10 -0.42 -0.01 -0.24 1.06 0.00 0.00 176.91 177.40 2f4v h VAL 60 N -0.66 0.47 -0.07 -2.22 3.04 -0.11 0.64 116.25 117.35 2f4v h VAL 60 Ca 0.02 -0.04 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2f4v h VAL 60 Cb 0.71 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2f4v h VAL 60 CO -0.36 0.02 -0.05 1.23 -1.01 0.00 0.00 177.57 177.40 2f4v h GLY 61 N 0.11 -2.25 -0.23 3.17 0.00 0.16 -1.22 103.07 102.80 2f4v h GLY 61 Ca 0.33 1.00 0.12 0.00 0.00 0.00 0.00 47.33 48.78 2f4v h GLY 61 CO -0.55 -0.83 -0.17 -1.61 0.00 0.00 0.00 176.54 173.39 2f4v h GLN 62 N -0.02 -0.02 0.09 4.80 5.75 0.39 -2.54 115.11 123.56 2f4v h GLN 62 Ca 0.01 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2f4v h GLN 62 Cb 0.05 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 2f4v h GLN 62 CO -0.07 -0.01 -0.51 -0.09 -2.65 0.00 0.00 178.83 175.49 2f4v h ARG 63 N -0.02 -0.68 -0.80 1.69 2.43 -0.40 -0.66 114.38 115.94 2f4v h ARG 63 Ca 0.29 0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.67 2f4v h ARG 63 Cb 0.46 0.16 -0.15 0.00 -0.42 0.00 0.00 29.97 30.01 2f4v h ARG 63 CO -0.63 -0.46 -0.18 -0.09 -1.51 0.00 0.00 179.97 177.10 2f4v h ARG 64 N -0.71 0.01 0.00 0.20 2.43 -0.83 0.23 114.38 115.71 2f4v h ARG 64 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2f4v h ARG 64 Cb 0.72 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2f4v h ARG 64 CO -0.30 0.00 0.00 -0.09 -1.51 0.00 0.00 179.97 178.08 2f4v h ARG 65 N 0.01 0.00 0.00 0.20 2.43 -0.87 -0.99 114.38 115.16 2f4v h ARG 65 Ca 0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 2f4v h ARG 65 Cb 0.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2f4v h ARG 65 CO -0.82 0.00 -0.23 -0.07 -1.51 0.00 0.00 179.97 177.34 2f4v h LEU 66 N 0.00 0.00 -1.07 3.80 3.38 -0.03 -3.15 115.31 118.24 2f4v h LEU 66 Ca 0.00 -0.49 0.21 0.00 0.09 0.00 0.00 57.88 57.68 2f4v h LEU 66 Cb 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 2f4v h LEU 66 CO 0.00 0.88 0.61 -0.07 0.09 0.00 0.00 178.44 179.95 2f4v h LEU 67 N -1.00 0.72 -0.61 1.67 3.38 -0.81 0.10 115.31 118.75 2f4v h LEU 67 Ca -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2f4v h LEU 67 Cb 0.66 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2f4v h LEU 67 CO -0.03 0.23 0.33 0.03 0.09 0.00 0.00 178.44 179.09 2f4v h ARG 68 N 0.68 0.86 0.34 1.13 2.47 -1.31 0.71 114.38 119.27 2f4v h ARG 68 Ca 0.58 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.19 2f4v h ARG 68 Cb 1.01 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 2f4v h ARG 68 CO -0.38 0.66 -0.26 -0.92 0.56 0.00 0.00 179.97 179.64 2f4v h TYR 69 N 0.84 -0.67 -0.38 3.04 3.20 -0.85 -2.33 116.97 119.82 2f4v h TYR 69 Ca 0.22 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2f4v h TYR 69 Cb 0.06 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 2f4v h TYR 69 CO -0.01 -0.38 -0.53 1.25 -1.64 0.00 0.00 178.16 176.85 2f4v h LEU 70 N -0.59 -1.77 -0.90 2.82 7.12 0.04 -1.67 115.31 120.35 2f4v h LEU 70 Ca -0.03 0.24 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2f4v h LEU 70 Cb 0.51 0.73 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2f4v h LEU 70 CO -0.00 -0.41 0.00 1.67 -0.13 0.00 0.00 178.44 179.57 2f4v n GLN 71 N -5.39 0.11 0.08 1.25 0.00 0.24 -0.33 117.38 113.34 2f4v n GLN 71 Ca -0.03 0.54 -0.04 0.00 -0.00 0.00 0.00 57.00 57.46 2f4v n GLN 71 Cb 0.35 -1.82 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 2f4v n GLN 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2f4v h ARG 72 N 0.00 -0.27 0.04 3.69 2.43 -0.77 -3.39 114.38 116.12 2f4v h ARG 72 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2f4v h ARG 72 Cb 0.09 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2f4v h ARG 72 CO 0.00 -0.18 -0.13 0.93 -1.51 0.00 0.00 179.97 179.08 2f4v h GLU 73 N -0.83 -0.24 -1.60 0.20 3.07 -0.03 -3.38 114.58 111.77 2f4v h GLU 73 Ca -0.03 0.02 -0.46 0.00 -0.50 0.00 0.00 59.36 58.38 2f4v h GLU 73 Cb 0.21 0.05 -0.32 0.00 -0.84 0.00 0.00 28.75 27.86 2f4v h GLU 73 CO 0.05 -0.16 -0.90 -3.47 -1.40 0.00 0.00 179.01 173.12 2f4v n ASP 74 N -5.26 -0.90 0.00 1.42 -0.08 -0.72 -4.98 116.55 106.03 2f4v n ASP 74 Ca -0.06 -2.76 0.01 0.00 -1.51 0.00 0.00 54.79 50.47 2f4v n ASP 74 Cb 0.18 0.08 0.07 0.00 2.34 0.00 0.00 41.12 43.79 2f4v n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2f4v n PRO 75 N 1.91 0.14 0.00 -0.67 -0.04 -1.26 -2.28 135.00 132.80 2f4v n PRO 75 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2f4v n PRO 75 Cb 0.54 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 2f4v n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2f4v n GLU 76 N -0.77 0.00 -0.07 0.54 4.07 -1.26 -3.60 120.64 119.55 2f4v n GLU 76 Ca 0.02 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.19 2f4v n GLU 76 Cb 0.01 -0.16 0.13 0.00 -0.06 0.00 0.00 31.44 31.36 2f4v n GLU 76 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2f4v n ARG 77 N -0.45 -0.01 0.00 5.31 1.74 -0.96 0.15 116.66 122.43 2f4v n ARG 77 Ca 0.00 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2f4v n ARG 77 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 2f4v n ARG 77 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2f4v n TYR 78 N -3.53 0.00 -0.37 -1.55 9.36 -1.18 -0.49 117.16 119.40 2f4v n TYR 78 Ca 0.09 0.00 0.30 0.00 3.32 0.00 0.00 57.90 61.61 2f4v n TYR 78 Cb 0.29 -0.34 0.49 0.00 -0.63 0.00 0.00 39.34 39.15 2f4v n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f4v n ARG 79 N -1.61 -0.02 0.00 2.98 1.74 0.40 -0.98 116.66 119.17 2f4v n ARG 79 Ca 0.00 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 2f4v n ARG 79 Cb 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2f4v n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f4v n ALA 80 N -2.57 -0.15 -0.12 7.54 0.00 -0.76 -2.97 120.51 121.48 2f4v n ALA 80 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.84 2f4v n ALA 80 Cb 1.16 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.83 2f4v n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f4v n LEU 81 N -1.85 0.13 0.11 0.00 4.77 0.35 -0.60 117.00 119.90 2f4v n LEU 81 Ca 0.00 0.63 -0.05 0.00 -0.03 0.00 0.00 56.01 56.56 2f4v n LEU 81 Cb 0.00 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2f4v n LEU 81 CO 0.00 -0.70 0.22 0.40 -1.33 0.00 0.00 177.39 175.99 2f4v h ILE 82 N 0.00 0.00 -1.19 -0.08 2.04 -1.54 -1.73 117.51 115.01 2f4v h ILE 82 Ca 0.32 -0.30 0.35 0.00 1.00 0.00 0.00 64.86 66.23 2f4v h ILE 82 Cb 0.84 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 2f4v h ILE 82 CO -0.29 0.00 0.77 -0.08 0.00 0.00 0.00 178.15 178.54 2f4v h GLU 83 N -0.61 0.22 0.00 2.37 4.22 -1.08 1.27 114.58 120.97 2f4v h GLU 83 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2f4v h GLU 83 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2f4v h GLU 83 CO 0.05 0.14 0.00 1.63 -2.18 0.00 0.00 179.01 178.66 2f4v n LYS 84 N -4.65 0.20 0.00 1.92 5.02 0.23 -4.20 118.16 116.68 2f4v n LYS 84 Ca 0.31 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2f4v n LYS 84 Cb 1.17 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2f4v n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2f4v n LEU 85 N -2.20 0.33 0.00 -0.35 4.32 0.30 -5.03 117.00 114.37 2f4v n LEU 85 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2f4v n LEU 85 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2f4v n LEU 85 CO 0.23 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 2f4v n GLY 86 N 2.84 1.78 3.87 -0.72 0.00 0.36 -5.08 105.19 108.23 2f4v n GLY 86 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2f4v n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f4v s ILE 87 N -2.00 2.58 -0.82 -0.61 -5.25 -1.26 -4.54 121.20 109.30 2f4v s ILE 87 Ca 0.00 -1.38 -0.02 0.00 -0.99 0.00 0.00 60.65 58.27 2f4v s ILE 87 Cb 0.00 -2.95 0.00 0.00 2.95 0.00 0.00 42.46 42.46 2f4v s ILE 87 CO 0.00 0.00 0.65 -1.14 -1.79 0.00 0.00 174.94 172.66 2f4v n ARG 88 N -1.54 -1.43 0.00 0.37 0.00 -1.26 -4.93 116.66 107.87 2f4v n ARG 88 Ca 0.03 0.97 0.00 0.00 -0.00 0.00 0.00 57.85 58.85 2f4v n ARG 88 Cb 0.62 -3.54 0.00 0.00 0.00 0.00 0.00 32.46 29.54 2f4v n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04