#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0s n ASN 2 N 0.00 2.41 0.15 6.12 3.02 -1.26 -4.83 115.26 120.88 2c0s n ASN 2 Ca 0.00 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 54.84 2c0s n ASN 2 Cb 0.00 -1.40 0.47 0.00 -0.61 0.00 0.00 39.78 38.25 2c0s n ASN 2 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2c0s h VAL 3 N 7.28 0.00 0.00 2.41 -1.51 -2.07 -3.26 116.25 119.10 2c0s h VAL 3 Ca -0.30 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2c0s h VAL 3 Cb 1.29 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2c0s h VAL 3 CO 1.05 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 177.37 2c0s h THR 4 N 0.00 0.69 -0.53 7.19 1.03 -2.00 -1.52 112.91 117.77 2c0s h THR 4 Ca 0.00 -0.08 -0.06 0.00 -0.01 0.00 0.00 66.41 66.26 2c0s h THR 4 Cb 0.54 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.64 2c0s h THR 4 CO 0.00 0.02 0.07 0.07 -0.01 0.00 0.00 175.52 175.67 2c0s h LYS 5 N 0.00 0.84 -0.27 0.00 2.10 -1.97 -1.77 116.57 115.50 2c0s h LYS 5 Ca -0.00 -0.20 -0.11 0.00 -2.00 0.00 0.00 60.65 58.34 2c0s h LYS 5 Cb 0.04 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2c0s h LYS 5 CO 0.00 0.80 -0.27 1.25 -2.00 0.00 0.00 179.45 179.23 2c0s h LEU 6 N 0.80 0.70 -0.96 7.07 5.85 -1.53 -1.70 115.31 125.53 2c0s h LEU 6 Ca 0.16 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.48 2c0s h LEU 6 Cb 0.38 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2c0s h LEU 6 CO 0.01 1.03 0.61 -1.13 -0.34 0.00 0.00 178.44 178.62 2c0s h ASN 7 N 0.38 0.96 -0.25 1.25 -0.73 -1.31 -1.18 115.58 114.70 2c0s h ASN 7 Ca 0.04 0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.10 2c0s h ASN 7 Cb 0.84 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.24 2c0s h ASN 7 CO 0.07 0.60 -0.35 -0.78 -0.37 0.00 0.00 177.43 176.59 2c0s h ASP 8 N 1.08 0.75 0.27 1.15 3.58 -1.16 -2.76 116.42 119.33 2c0s h ASP 8 Ca 0.42 -0.51 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2c0s h ASP 8 Cb 0.22 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2c0s h ASP 8 CO -0.19 1.11 -0.26 0.03 -2.88 0.00 0.00 179.24 177.05 2c0s h ARG 9 N 0.41 0.00 0.24 0.28 3.08 -0.72 -0.26 114.38 117.41 2c0s h ARG 9 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2c0s h ARG 9 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2c0s h ARG 9 CO 0.08 0.26 -0.12 0.82 -1.07 0.00 0.00 179.97 179.94 2c0s h ILE 10 N 0.00 0.81 -0.82 2.04 2.04 -1.15 -1.53 117.51 118.91 2c0s h ILE 10 Ca -0.00 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2c0s h ILE 10 Cb 0.46 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2c0s h ILE 10 CO 0.03 0.07 0.53 -0.33 0.00 0.00 0.00 178.15 178.46 2c0s h GLU 11 N -0.49 1.05 -0.67 2.37 4.39 -1.09 -0.35 114.58 119.79 2c0s h GLU 11 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2c0s h GLU 11 Cb 0.37 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2c0s h GLU 11 CO 0.05 0.69 0.31 0.00 -1.16 0.00 0.00 179.01 178.90 2c0s h ALA 12 N 1.31 1.29 -0.27 3.43 0.00 -1.05 -0.56 119.26 123.41 2c0s h ALA 12 Ca 0.31 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2c0s h ALA 12 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2c0s h ALA 12 CO -0.08 0.54 -0.17 -0.22 0.00 0.00 0.00 179.25 179.33 2c0s h LYS 13 N 0.94 0.58 -0.13 0.00 1.63 -0.10 -1.54 116.57 117.96 2c0s h LYS 13 Ca 0.23 -0.27 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 2c0s h LYS 13 Cb 0.12 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2c0s h LYS 13 CO -0.03 0.85 -0.47 1.57 -3.45 0.00 0.00 179.45 177.92 2c0s h LYS 14 N 0.31 0.32 -0.62 1.90 2.10 -0.94 0.09 116.57 119.74 2c0s h LYS 14 Ca 0.05 -0.18 -0.08 0.00 -2.00 0.00 0.00 60.65 58.45 2c0s h LYS 14 Cb 0.69 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 2c0s h LYS 14 CO 0.05 0.73 0.07 0.87 -2.00 0.00 0.00 179.45 179.17 2c0s h LYS 15 N 0.26 1.04 -0.27 0.07 1.57 -0.97 0.12 116.57 118.39 2c0s h LYS 15 Ca 0.02 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2c0s h LYS 15 Cb 0.93 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2c0s h LYS 15 CO 0.08 0.98 0.16 1.49 -0.57 0.00 0.00 179.45 181.59 2c0s h GLU 16 N 0.95 0.37 -0.80 3.15 4.57 -1.06 -2.79 114.58 118.97 2c0s h GLU 16 Ca 0.18 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2c0s h GLU 16 Cb 0.47 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2c0s h GLU 16 CO 0.02 0.30 0.52 1.25 -1.18 0.00 0.00 179.01 179.92 2c0s h LEU 17 N 0.34 0.92 -0.54 1.64 5.85 -0.53 0.06 115.31 123.05 2c0s h LEU 17 Ca 0.10 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2c0s h LEU 17 Cb 0.02 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2c0s h LEU 17 CO -0.02 0.67 0.15 0.40 -0.34 0.00 0.00 178.44 179.30 2c0s h ILE 18 N 1.08 0.75 -0.46 4.05 2.04 -0.58 0.68 117.51 125.06 2c0s h ILE 18 Ca 0.29 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.92 2c0s h ILE 18 Cb -0.12 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2c0s h ILE 18 CO -0.06 0.06 -0.21 0.22 0.00 0.00 0.00 178.15 178.15 2c0s h TYR 19 N 0.31 1.05 -0.30 1.37 3.20 -1.14 -2.67 116.97 118.79 2c0s h TYR 19 Ca 0.27 -0.25 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2c0s h TYR 19 Cb 0.35 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2c0s h TYR 19 CO -0.20 1.04 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.16 2c0s h LEU 20 N 0.80 0.50 -1.08 2.82 3.38 -0.11 -1.17 115.31 120.44 2c0s h LEU 20 Ca 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2c0s h LEU 20 Cb 0.77 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2c0s h LEU 20 CO 0.06 0.66 -0.26 0.58 0.09 0.00 0.00 178.44 179.57 2c0s h VAL 21 N 0.47 1.25 -0.35 1.22 2.07 -0.66 0.29 116.25 120.55 2c0s h VAL 21 Ca 0.09 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 2c0s h VAL 21 Cb 0.51 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2c0s h VAL 21 CO 0.03 0.37 -0.32 -0.33 0.02 0.00 0.00 177.57 177.34 2c0s h GLU 22 N 0.30 0.76 0.04 1.57 4.39 -1.02 -0.09 114.58 120.54 2c0s h GLU 22 Ca 0.05 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2c0s h GLU 22 Cb 0.62 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2c0s h GLU 22 CO 0.04 0.98 -0.48 0.87 -1.16 0.00 0.00 179.01 179.26 2c0s h LYS 23 N 0.64 0.08 0.03 2.33 1.79 -0.79 -3.40 116.57 117.26 2c0s h LYS 23 Ca 0.07 -0.14 -0.28 0.00 -2.18 0.00 0.00 60.65 58.12 2c0s h LYS 23 Cb 0.85 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.52 2c0s h LYS 23 CO 0.07 1.07 -1.55 0.66 -1.08 0.00 0.00 179.45 178.62 2c0s n TYR 24 N -4.43 1.01 0.00 -1.35 4.01 0.97 -5.06 117.16 112.32 2c0s n TYR 24 Ca -0.15 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2c0s n TYR 24 Cb 0.62 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 2c0s n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c0s n GLY 25 N 1.58 0.98 3.11 2.72 0.00 -0.04 -4.93 105.19 108.61 2c0s n GLY 25 Ca -0.34 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2c0s n GLY 25 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c0s n PHE 26 N 0.87 0.89 -1.06 1.61 3.72 -1.26 -4.64 117.46 117.58 2c0s n PHE 26 Ca 0.00 -2.12 -0.06 0.00 -0.05 0.00 0.00 57.45 55.22 2c0s n PHE 26 Cb 0.00 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 2c0s n PHE 26 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2c0s n THR 27 N -1.11 0.00 -3.63 4.37 -2.24 -1.26 -4.94 114.28 105.47 2c0s n THR 27 Ca -0.17 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 2c0s n THR 27 Cb 0.55 -1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 67.54 2c0s n THR 27 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2c0s s HIS 28 N -1.37 3.18 0.55 4.78 3.76 -1.26 -4.94 115.29 119.99 2c0s s HIS 28 Ca 0.00 -0.29 0.26 0.00 -0.15 0.00 0.00 55.06 54.88 2c0s s HIS 28 Cb 0.00 -2.36 1.63 0.00 1.11 0.00 0.00 32.58 32.96 2c0s s HIS 28 CO 0.00 -0.34 2.20 0.45 -0.85 0.00 0.00 174.74 176.20 2c0s h HIS 29 N 8.36 0.00 -0.08 1.40 3.86 -1.98 -0.55 115.15 126.16 2c0s h HIS 29 Ca -0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2c0s h HIS 29 Cb 1.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 2c0s h HIS 29 CO 0.68 0.03 0.05 0.87 0.86 0.00 0.00 177.93 180.42 2c0s h LYS 30 N 0.00 0.11 -0.53 2.45 1.57 -1.99 0.14 116.57 118.33 2c0s h LYS 30 Ca -0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2c0s h LYS 30 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2c0s h LYS 30 CO 0.00 0.12 -0.06 0.28 -0.57 0.00 0.00 179.45 179.23 2c0s h VAL 31 N 0.07 1.26 -0.53 0.50 2.07 -1.54 -0.46 116.25 117.62 2c0s h VAL 31 Ca 0.03 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2c0s h VAL 31 Cb 0.04 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2c0s h VAL 31 CO -0.01 0.41 0.34 0.40 0.02 0.00 0.00 177.57 178.74 2c0s h ILE 32 N 0.85 1.14 -0.23 4.57 2.04 -1.01 0.84 117.51 125.72 2c0s h ILE 32 Ca 0.15 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 2c0s h ILE 32 Cb 0.58 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2c0s h ILE 32 CO 0.04 0.14 -0.47 0.77 0.00 0.00 0.00 178.15 178.63 2c0s h SER 33 N 0.71 0.64 -0.46 1.72 4.64 -0.57 -1.52 113.55 118.71 2c0s h SER 33 Ca 0.19 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2c0s h SER 33 Cb -0.06 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2c0s h SER 33 CO -0.04 1.01 0.09 -0.26 -0.87 0.00 0.00 176.83 176.76 2c0s h PHE 34 N 0.47 0.85 -0.55 4.77 0.04 -0.74 -0.96 116.94 120.83 2c0s h PHE 34 Ca 0.03 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2c0s h PHE 34 Cb 0.99 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2c0s h PHE 34 CO 0.04 0.74 0.21 0.77 -0.60 0.00 0.00 178.31 179.47 2c0s h SER 35 N 0.78 0.77 0.02 2.17 0.02 -0.61 -0.07 113.55 116.62 2c0s h SER 35 Ca 0.17 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2c0s h SER 35 Cb 0.34 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2c0s h SER 35 CO 0.01 0.74 -0.13 1.56 -1.14 0.00 0.00 176.83 177.87 2c0s h GLN 36 N 0.75 0.24 0.00 3.45 4.20 -0.69 0.27 115.11 123.33 2c0s h GLN 36 Ca 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2c0s h GLN 36 Cb 0.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2c0s h GLN 36 CO -0.01 0.37 -0.00 0.93 -0.67 0.00 0.00 178.83 179.45 2c0s h GLU 37 N 0.23 -0.00 -0.20 1.46 4.39 -0.77 -2.45 114.58 117.23 2c0s h GLU 37 Ca 0.05 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2c0s h GLU 37 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2c0s h GLU 37 CO 0.02 0.46 0.12 1.25 -1.16 0.00 0.00 179.01 179.70 2c0s h LEU 38 N -0.47 0.19 -0.89 1.33 7.12 -0.51 0.80 115.31 122.88 2c0s h LEU 38 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2c0s h LEU 38 Cb 0.47 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 2c0s h LEU 38 CO 0.00 0.14 0.57 -0.78 -0.13 0.00 0.00 178.44 178.24 2c0s h ASP 39 N 0.24 1.04 -0.27 1.25 3.58 -0.56 0.20 116.42 121.91 2c0s h ASP 39 Ca 0.08 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 2c0s h ASP 39 Cb -0.01 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2c0s h ASP 39 CO -0.03 0.78 -0.36 -0.09 -2.88 0.00 0.00 179.24 176.65 2c0s h ARG 40 N 1.21 0.81 -0.57 0.28 9.65 -1.02 0.40 114.38 125.14 2c0s h ARG 40 Ca 0.32 -0.40 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2c0s h ARG 40 Cb -0.10 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 2c0s h ARG 40 CO -0.07 1.03 0.29 -0.07 2.80 0.00 0.00 179.97 183.96 2c0s h LEU 41 N 0.67 0.74 -0.69 3.80 3.38 -0.11 0.10 115.31 123.21 2c0s h LEU 41 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2c0s h LEU 41 Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2c0s h LEU 41 CO 0.08 0.65 0.24 0.25 0.09 0.00 0.00 178.44 179.76 2c0s h LEU 42 N 0.78 0.98 -1.64 1.67 5.85 -0.86 -2.51 115.31 119.57 2c0s h LEU 42 Ca 0.20 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2c0s h LEU 42 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2c0s h LEU 42 CO -0.03 0.90 -0.20 -1.13 -0.34 0.00 0.00 178.44 177.65 2c0s h ASN 43 N 0.99 0.00 -0.72 1.25 -0.73 -0.30 -2.35 115.58 113.71 2c0s h ASN 43 Ca 0.23 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.42 2c0s h ASN 43 Cb 0.26 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 2c0s h ASN 43 CO -0.01 0.20 0.48 -0.07 -0.37 0.00 0.00 177.43 177.66 2c0s h LEU 44 N 0.00 0.80 0.08 0.34 3.38 -0.35 0.26 115.31 119.81 2c0s h LEU 44 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2c0s h LEU 44 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2c0s h LEU 44 CO 0.03 0.56 -0.04 -0.07 0.09 0.00 0.00 178.44 179.01 2c0s h LEU 45 N 0.93 -0.09 -0.10 1.67 3.38 -1.49 -0.04 115.31 119.58 2c0s h LEU 45 Ca 0.28 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2c0s h LEU 45 Cb -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2c0s h LEU 45 CO -0.07 0.11 0.01 0.40 0.09 0.00 0.00 178.44 178.98 2c0s h ILE 46 N -0.28 0.94 -0.26 1.22 2.04 -1.43 0.77 117.51 120.51 2c0s h ILE 46 Ca -0.01 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2c0s h ILE 46 Cb 0.24 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2c0s h ILE 46 CO 0.02 0.01 0.05 -0.08 0.00 0.00 0.00 178.15 178.15 2c0s h GLU 47 N 0.05 0.14 -0.42 2.37 4.81 -0.45 0.62 114.58 121.70 2c0s h GLU 47 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2c0s h GLU 47 Cb 0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2c0s h GLU 47 CO -0.07 0.09 0.05 1.25 -0.73 0.00 0.00 179.01 179.60 2c0s h LEU 48 N 0.15 0.68 -1.11 1.64 7.12 -0.60 -0.15 115.31 123.04 2c0s h LEU 48 Ca 0.12 -0.28 -0.08 0.00 0.13 0.00 0.00 57.88 57.77 2c0s h LEU 48 Cb 0.12 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 2c0s h LEU 48 CO -0.16 0.79 -0.39 0.11 -0.13 0.00 0.00 178.44 178.65 2c0s h LYS 49 N 0.55 0.00 -0.05 1.25 1.57 -0.60 0.42 116.57 119.70 2c0s h LYS 49 Ca 0.12 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2c0s h LYS 49 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2c0s h LYS 49 CO 0.01 0.39 -0.27 1.15 -0.57 0.00 0.00 179.45 180.17 2c0s h THR 50 N 0.00 1.45 0.77 -0.16 2.02 -0.50 -3.35 112.91 113.14 2c0s h THR 50 Ca -0.00 -1.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 2c0s h THR 50 Cb 0.80 2.40 0.01 0.00 -1.74 0.00 0.00 68.15 69.61 2c0s h THR 50 CO 0.05 0.48 -0.37 0.11 0.37 0.00 0.00 175.52 176.16 2c0s h LYS 51 N -0.25 -1.00 -5.38 6.66 1.57 -0.77 -3.45 116.57 113.93 2c0s h LYS 51 Ca -0.02 0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 2c0s h LYS 51 Cb 0.93 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 33.37 2c0s h LYS 51 CO 0.06 -0.67 -0.22 0.36 -0.57 0.00 0.00 179.45 178.41 2c0s n LYS 52 N -5.37 -2.35 -0.16 3.15 2.85 0.14 -4.75 118.16 111.68 2c0s n LYS 52 Ca -0.13 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.27 2c0s n LYS 52 Cb 0.41 -4.35 0.27 0.00 -0.65 0.00 0.00 35.03 30.71 2c0s n LYS 52 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2c0s n LYS 53 N -2.78 2.18 -3.03 -1.58 -0.00 -1.26 -4.68 118.16 107.01 2c0s n LYS 53 Ca 0.03 -1.79 -0.40 0.00 -0.00 0.00 0.00 58.31 56.15 2c0s n LYS 53 Cb 0.47 -1.46 -0.05 0.00 -0.00 0.00 0.00 35.03 33.99 2c0s n LYS 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2c0s s ARG 54 N -1.59 4.44 -0.00 -1.58 0.52 -1.26 -4.93 118.95 114.55 2c0s s ARG 54 Ca 0.36 0.94 0.01 0.00 -0.52 0.00 0.00 55.73 56.51 2c0s s ARG 54 Cb 0.20 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2c0s s ARG 54 CO 0.29 0.16 0.94 0.66 0.02 0.00 0.00 175.30 177.36 2c0s n TYR 55 N 3.38 0.05 -0.19 -0.53 4.01 -1.26 -3.03 117.16 119.58 2c0s n TYR 55 Ca -0.02 -0.02 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 2c0s n TYR 55 Cb 0.51 -0.02 0.20 0.00 -0.31 0.00 0.00 39.34 39.72 2c0s n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2c0s h SER 56 N 0.16 0.85 0.78 7.72 4.64 -1.91 -0.32 113.55 125.47 2c0s h SER 56 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2c0s h SER 56 Cb 0.13 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2c0s h SER 56 CO 0.00 0.72 0.00 -0.07 -0.87 0.00 0.00 176.83 176.61 2c0s h LEU 57 N 0.95 0.00 0.02 5.97 -0.00 -1.83 -0.48 115.31 119.93 2c0s h LEU 57 Ca 0.23 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 57.74 2c0s h LEU 57 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.69 2c0s h LEU 57 CO -0.03 0.00 -2.11 0.18 -0.00 0.00 0.00 178.44 176.48 2c0s n LEU 58 N -2.49 2.18 -0.01 1.67 4.32 -0.56 -2.83 117.00 119.28 2c0s n LEU 58 Ca 0.01 0.27 -0.01 0.00 -0.02 0.00 0.00 56.01 56.26 2c0s n LEU 58 Cb 0.24 -0.91 0.26 0.00 -1.62 0.00 0.00 43.42 41.38 2c0s n LEU 58 CO 0.22 0.59 0.89 -0.33 -1.22 0.00 0.00 177.39 177.53 2c0s h GLU 59 N -0.71 0.56 -1.12 3.23 5.08 -1.04 -2.75 114.58 117.84 2c0s h GLU 59 Ca -0.55 -0.14 -0.57 0.00 -1.00 0.00 0.00 59.36 57.10 2c0s h GLU 59 Cb 1.63 -0.07 -0.43 0.00 0.50 0.00 0.00 28.75 30.38 2c0s h GLU 59 CO -0.25 0.62 -0.78 0.72 -1.00 0.00 0.00 179.01 178.33 2c0s n HIS 60 N -4.24 3.07 -1.65 4.33 8.25 -0.20 -5.05 115.22 119.73 2c0s n HIS 60 Ca 0.01 -2.65 -0.48 0.00 -0.26 0.00 0.00 57.72 54.34 2c0s n HIS 60 Cb 0.29 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 2c0s n HIS 60 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2c0s n HIS 61 N -0.60 2.07 -2.55 4.41 1.44 -1.04 -4.75 115.22 114.20 2c0s n HIS 61 Ca 0.42 0.36 -0.43 0.00 -2.01 0.00 0.00 57.72 56.06 2c0s n HIS 61 Cb 0.82 -2.49 0.00 0.00 0.12 0.00 0.00 29.99 28.45 2c0s n HIS 61 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2c0s n HIS 62 N 3.31 3.59 -3.43 -1.40 -0.00 -1.26 -4.71 115.22 111.33 2c0s n HIS 62 Ca 0.18 -2.97 -0.26 0.00 0.46 0.00 0.00 57.72 55.12 2c0s n HIS 62 Cb 0.26 -2.01 -0.09 0.00 -0.12 0.00 0.00 29.99 28.03 2c0s n HIS 62 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2c0s n HIS 63 N 4.39 1.75 0.73 1.57 -0.00 -1.26 -5.23 115.22 117.16 2c0s n HIS 63 Ca 0.39 -3.89 0.09 0.00 -0.00 0.00 0.00 57.72 54.30 2c0s n HIS 63 Cb 0.38 -0.40 0.07 0.00 -0.00 0.00 0.00 29.99 30.05 2c0s n HIS 63 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92