#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 -4.95 0.24 7.83 3.02 -1.26 -4.90 115.26 115.24 2c0s n ASN 2 Ca 0.00 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.16 2c0s n ASN 2 Cb 0.00 -3.15 0.52 0.00 -0.61 0.00 0.00 39.78 36.54 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 1.23 0.28 -0.04 2.41 -1.51 -2.04 -2.71 116.25 113.88 2c0s h VAL 3 Ca 0.00 -0.87 -0.06 0.00 -1.23 0.00 0.00 66.70 64.54 2c0s h VAL 3 Cb 0.25 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 2c0s h VAL 3 CO 0.07 0.11 -0.26 0.00 -1.23 0.00 0.00 177.57 176.27 2c0s h THR 4 N 0.00 1.20 0.01 7.19 1.03 -1.98 0.33 112.91 120.69 2c0s h THR 4 Ca -0.00 -0.95 -0.20 0.00 -0.01 0.00 0.00 66.41 65.24 2c0s h THR 4 Cb 0.68 1.46 -0.02 0.00 -1.07 0.00 0.00 68.15 69.20 2c0s h THR 4 CO 0.02 0.28 -0.94 0.11 -0.01 0.00 0.00 175.52 174.97 2c0s h LYS 5 N 0.06 0.05 -0.17 0.00 1.57 -1.83 -0.78 116.57 115.47 2c0s h LYS 5 Ca 0.01 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 2c0s h LYS 5 Cb 0.49 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2c0s h LYS 5 CO 0.03 0.95 -0.57 1.25 -0.57 0.00 0.00 179.45 180.55 2c0s h LEU 6 N 0.02 0.80 -0.81 2.94 5.85 -1.38 -2.81 115.31 119.94 2c0s h LEU 6 Ca -0.03 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.11 2c0s h LEU 6 Cb 1.64 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 2c0s h LEU 6 CO 0.13 1.26 0.53 -1.13 -0.34 0.00 0.00 178.44 178.89 2c0s h ASN 7 N 0.39 0.91 -0.65 1.25 -0.00 -0.30 -1.53 115.58 115.65 2c0s h ASN 7 Ca -0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 56.30 56.33 2c0s h ASN 7 Cb 1.19 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 39.25 2c0s h ASN 7 CO 0.12 0.66 0.43 -0.78 -0.00 0.00 0.00 177.43 177.86 2c0s h ASP 8 N 1.08 0.55 -0.30 1.15 3.58 -1.04 0.15 116.42 121.57 2c0s h ASP 8 Ca 0.30 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.63 2c0s h ASP 8 Cb -0.10 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 2c0s h ASP 8 CO -0.07 0.35 -0.31 0.03 -2.88 0.00 0.00 179.24 176.36 2c0s h ARG 9 N 0.62 0.75 -0.32 0.28 3.08 -1.04 -0.70 114.38 117.04 2c0s h ARG 9 Ca 0.28 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2c0s h ARG 9 Cb 0.32 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2c0s h ARG 9 CO -0.09 1.02 0.17 0.82 -1.07 0.00 0.00 179.97 180.82 2c0s h ILE 10 N 0.50 1.14 -0.91 2.04 2.04 -0.63 0.36 117.51 122.06 2c0s h ILE 10 Ca 0.05 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2c0s h ILE 10 Cb 0.88 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2c0s h ILE 10 CO 0.08 0.14 0.60 -0.08 0.00 0.00 0.00 178.15 178.89 2c0s h GLU 11 N 0.40 1.19 -0.10 2.37 4.81 -0.65 -0.35 114.58 122.25 2c0s h GLU 11 Ca 0.11 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 2c0s h GLU 11 Cb 0.08 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2c0s h GLU 11 CO -0.02 0.79 -0.67 0.00 -0.73 0.00 0.00 179.01 178.38 2c0s h ALA 12 N 1.44 0.67 -0.20 2.92 0.00 -0.74 -2.82 119.26 120.53 2c0s h ALA 12 Ca 0.34 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2c0s h ALA 12 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2c0s h ALA 12 CO -0.08 0.74 -0.41 -0.22 0.00 0.00 0.00 179.25 179.29 2c0s h LYS 13 N 0.28 0.48 -0.77 0.00 1.63 -0.06 -2.04 116.57 116.09 2c0s h LYS 13 Ca -0.02 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 2c0s h LYS 13 Cb 1.22 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.82 2c0s h LYS 13 CO 0.11 0.80 0.42 0.87 -3.45 0.00 0.00 179.45 178.20 2c0s h LYS 14 N 0.39 1.08 -0.11 1.90 1.57 -1.02 0.33 116.57 120.70 2c0s h LYS 14 Ca 0.03 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2c0s h LYS 14 Cb 0.88 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2c0s h LYS 14 CO 0.07 0.80 -0.22 0.87 -0.57 0.00 0.00 179.45 180.41 2c0s h LYS 15 N 1.07 0.19 -0.05 3.15 1.79 -1.14 0.06 116.57 121.64 2c0s h LYS 15 Ca 0.27 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2c0s h LYS 15 Cb 0.04 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2c0s h LYS 15 CO -0.04 0.41 -0.14 1.49 -1.08 0.00 0.00 179.45 180.09 2c0s h GLU 16 N 0.18 0.19 -0.14 3.15 4.81 -0.82 -2.16 114.58 119.78 2c0s h GLU 16 Ca 0.03 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2c0s h GLU 16 Cb 0.49 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2c0s h GLU 16 CO 0.03 0.74 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.97 2c0s h LEU 17 N -0.33 -0.09 -1.04 1.64 -0.00 -0.60 -0.16 115.31 114.73 2c0s h LEU 17 Ca -0.00 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 2c0s h LEU 17 Cb 0.75 0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.40 2c0s h LEU 17 CO 0.03 -0.02 0.63 0.40 -0.00 0.00 0.00 178.44 179.48 2c0s h ILE 18 N 0.03 1.03 -0.22 1.22 2.04 -0.99 0.74 117.51 121.35 2c0s h ILE 18 Ca 0.07 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2c0s h ILE 18 Cb 0.09 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 2c0s h ILE 18 CO -0.13 0.20 0.04 0.22 0.00 0.00 0.00 178.15 178.48 2c0s h TYR 19 N 1.09 0.38 -0.64 1.37 5.03 -0.80 -2.38 116.97 121.02 2c0s h TYR 19 Ca 0.45 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.64 2c0s h TYR 19 Cb 0.29 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 2c0s h TYR 19 CO -0.00 0.49 0.15 -0.07 -1.32 0.00 0.00 178.16 177.41 2c0s h LEU 20 N 0.16 0.97 -1.65 2.82 3.38 -0.25 -1.92 115.31 118.83 2c0s h LEU 20 Ca 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2c0s h LEU 20 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2c0s h LEU 20 CO 0.00 0.96 0.17 0.58 0.09 0.00 0.00 178.44 180.24 2c0s h VAL 21 N 0.94 1.09 -0.05 1.22 2.07 -0.80 0.32 116.25 121.05 2c0s h VAL 21 Ca 0.20 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2c0s h VAL 21 Cb 0.37 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2c0s h VAL 21 CO 0.00 0.10 -0.02 -0.33 0.02 0.00 0.00 177.57 177.34 2c0s h GLU 22 N 0.40 0.10 0.16 1.57 4.39 -0.83 -2.14 114.58 118.24 2c0s h GLU 22 Ca 0.11 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 2c0s h GLU 22 Cb 0.00 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2c0s h GLU 22 CO -0.02 0.49 -1.24 0.87 -1.16 0.00 0.00 179.01 177.95 2c0s h LYS 23 N -0.29 0.34 0.00 2.33 1.57 -1.14 -3.40 116.57 115.98 2c0s h LYS 23 Ca 0.01 -0.57 -0.27 0.00 -1.87 0.00 0.00 60.65 57.95 2c0s h LYS 23 Cb 0.46 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2c0s h LYS 23 CO 0.01 1.27 -1.47 0.66 -0.57 0.00 0.00 179.45 179.35 2c0s n TYR 24 N -3.93 0.88 0.00 -1.35 4.02 0.11 -5.10 117.16 111.79 2c0s n TYR 24 Ca -0.19 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 2c0s n TYR 24 Cb 0.93 -1.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 2c0s n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2c0s n GLY 25 N 1.43 0.48 3.79 2.72 0.00 -0.80 -5.01 105.19 107.79 2c0s n GLY 25 Ca -0.35 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.16 2c0s n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c0s s PHE 26 N -0.21 2.58 0.00 1.61 -0.71 -1.26 -3.92 117.98 116.07 2c0s s PHE 26 Ca 0.00 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 2c0s s PHE 26 Cb 0.00 -2.02 0.00 0.00 -1.21 0.00 0.00 43.02 39.79 2c0s s PHE 26 CO 0.00 0.05 0.00 0.25 -1.34 0.00 0.00 175.22 174.18 2c0s n THR 27 N -1.36 0.00 -2.67 -4.49 -2.24 -1.26 -4.97 114.28 97.29 2c0s n THR 27 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 2c0s n THR 27 Cb 0.64 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2c0s n THR 27 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2c0s s HIS 28 N -1.10 3.82 0.31 4.78 5.04 -1.26 -4.90 115.29 121.98 2c0s s HIS 28 Ca 0.00 1.80 0.05 0.00 -1.54 0.00 0.00 55.06 55.37 2c0s s HIS 28 Cb 0.00 -3.09 0.52 0.00 0.04 0.00 0.00 32.58 30.05 2c0s s HIS 28 CO 0.00 0.07 1.77 0.45 -2.34 0.00 0.00 174.74 174.69 2c0s h HIS 29 N 4.72 0.41 -0.59 3.88 3.86 -1.98 0.21 115.15 125.65 2c0s h HIS 29 Ca -0.44 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 58.63 2c0s h HIS 29 Cb 1.21 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2c0s h HIS 29 CO 0.62 0.59 0.15 0.87 0.86 0.00 0.00 177.93 181.02 2c0s h LYS 30 N 0.33 0.94 -0.84 2.45 1.57 -1.99 0.17 116.57 119.21 2c0s h LYS 30 Ca 0.05 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2c0s h LYS 30 Cb 0.61 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2c0s h LYS 30 CO 0.04 0.86 0.42 0.28 -0.57 0.00 0.00 179.45 180.49 2c0s h VAL 31 N 0.85 1.25 -0.52 0.50 2.07 -1.64 0.63 116.25 119.40 2c0s h VAL 31 Ca 0.19 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2c0s h VAL 31 Cb 0.33 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2c0s h VAL 31 CO 0.00 0.30 0.32 0.40 0.02 0.00 0.00 177.57 178.60 2c0s h ILE 32 N 1.19 1.15 -0.41 4.57 2.04 -0.21 0.35 117.51 126.20 2c0s h ILE 32 Ca 0.29 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2c0s h ILE 32 Cb 0.09 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2c0s h ILE 32 CO -0.04 0.16 0.10 0.28 0.00 0.00 0.00 178.15 178.64 2c0s h SER 33 N 0.69 0.55 0.84 1.72 0.02 0.01 -0.99 113.55 116.39 2c0s h SER 33 Ca 0.19 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.86 2c0s h SER 33 Cb -0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2c0s h SER 33 CO -0.04 0.56 -0.91 -0.26 -1.14 0.00 0.00 176.83 175.04 2c0s h PHE 34 N 0.59 0.07 -0.56 3.45 0.04 -0.30 -2.43 116.94 117.80 2c0s h PHE 34 Ca 0.14 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.77 2c0s h PHE 34 Cb 0.23 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2c0s h PHE 34 CO 0.01 0.93 0.00 0.77 -0.60 0.00 0.00 178.31 179.42 2c0s h SER 35 N 0.02 0.96 0.69 2.17 0.02 0.40 0.12 113.55 117.93 2c0s h SER 35 Ca -0.02 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.51 2c0s h SER 35 Cb 1.60 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 2c0s h SER 35 CO 0.12 1.03 -0.53 0.06 -1.14 0.00 0.00 176.83 176.38 2c0s h GLN 36 N 0.87 0.00 -0.56 3.45 3.07 -1.27 -1.70 115.11 118.97 2c0s h GLN 36 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.80 2c0s h GLN 36 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 2c0s h GLN 36 CO 0.03 0.53 -0.05 1.49 0.09 0.00 0.00 178.83 180.91 2c0s h GLU 37 N 0.00 1.01 -0.56 0.06 4.81 -0.88 0.21 114.58 119.23 2c0s h GLU 37 Ca -0.01 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2c0s h GLU 37 Cb 1.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2c0s h GLU 37 CO 0.07 1.02 0.33 1.25 -0.73 0.00 0.00 179.01 180.96 2c0s h LEU 38 N 0.92 0.68 -1.23 1.64 7.12 -0.53 -1.73 115.31 122.18 2c0s h LEU 38 Ca 0.15 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.05 2c0s h LEU 38 Cb 0.60 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2c0s h LEU 38 CO 0.04 0.55 0.05 -0.78 -0.13 0.00 0.00 178.44 178.16 2c0s h ASP 39 N 0.76 0.54 -0.27 1.25 3.58 -0.71 -0.15 116.42 121.41 2c0s h ASP 39 Ca 0.20 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2c0s h ASP 39 Cb -0.00 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2c0s h ASP 39 CO -0.04 0.58 0.13 0.03 -2.88 0.00 0.00 179.24 177.05 2c0s h ARG 40 N 0.56 0.39 -0.77 0.28 2.47 -0.02 0.19 114.38 117.48 2c0s h ARG 40 Ca 0.12 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2c0s h ARG 40 Cb 0.29 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 2c0s h ARG 40 CO 0.00 0.38 0.41 -0.07 0.56 0.00 0.00 179.97 181.26 2c0s h LEU 41 N 0.30 0.96 -0.68 3.04 3.38 -0.74 -0.23 115.31 121.34 2c0s h LEU 41 Ca 0.09 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2c0s h LEU 41 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2c0s h LEU 41 CO -0.01 0.79 0.19 0.25 0.09 0.00 0.00 178.44 179.75 2c0s h LEU 42 N 1.06 1.00 -1.67 1.67 5.85 -0.78 -2.31 115.31 120.13 2c0s h LEU 42 Ca 0.27 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2c0s h LEU 42 Cb 0.05 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2c0s h LEU 42 CO -0.04 0.96 0.00 0.78 -0.34 0.00 0.00 178.44 179.80 2c0s h ASN 43 N 1.00 0.00 -0.02 1.25 2.35 0.09 -2.85 115.58 117.39 2c0s h ASN 43 Ca 0.22 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2c0s h ASN 43 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2c0s h ASN 43 CO -0.00 0.00 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.66 2c0s h LEU 44 N 0.00 0.17 -0.77 1.61 3.38 -0.46 0.49 115.31 119.72 2c0s h LEU 44 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2c0s h LEU 44 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2c0s h LEU 44 CO 0.00 0.25 -0.27 -0.07 0.09 0.00 0.00 178.44 178.44 2c0s h LEU 45 N 0.19 0.64 -0.06 1.67 4.07 -1.61 -0.36 115.31 119.85 2c0s h LEU 45 Ca 0.04 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.69 2c0s h LEU 45 Cb 0.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2c0s h LEU 45 CO 0.01 0.89 -0.24 0.40 -1.08 0.00 0.00 178.44 178.42 2c0s h ILE 46 N 0.55 1.44 -0.19 1.22 2.04 -1.41 -3.21 117.51 117.95 2c0s h ILE 46 Ca 0.07 -1.66 0.05 0.00 1.00 0.00 0.00 64.86 64.32 2c0s h ILE 46 Cb 0.74 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2c0s h ILE 46 CO 0.06 0.47 0.14 -0.08 0.00 0.00 0.00 178.15 178.73 2c0s h GLU 47 N -0.25 0.05 -0.45 2.37 4.57 0.05 -0.91 114.58 120.00 2c0s h GLU 47 Ca -0.01 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2c0s h GLU 47 Cb 0.88 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 2c0s h GLU 47 CO 0.05 0.03 0.16 1.25 -1.18 0.00 0.00 179.01 179.32 2c0s h LEU 48 N 0.05 0.60 -0.37 1.64 5.85 -1.06 -2.04 115.31 119.98 2c0s h LEU 48 Ca 0.09 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 2c0s h LEU 48 Cb 0.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2c0s h LEU 48 CO -0.01 0.56 -0.63 0.11 -0.34 0.00 0.00 178.44 178.13 2c0s h LYS 49 N 0.65 0.65 0.00 1.25 1.57 -1.27 -2.83 116.57 116.58 2c0s h LYS 49 Ca 0.16 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2c0s h LYS 49 Cb 0.17 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2c0s h LYS 49 CO -0.01 1.07 -0.01 1.15 -0.57 0.00 0.00 179.45 181.08 2c0s h THR 50 N 0.47 0.23 0.00 -0.16 2.02 -1.19 -0.96 112.91 113.33 2c0s h THR 50 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2c0s h THR 50 Cb 1.21 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2c0s h THR 50 CO 0.12 0.01 0.00 0.11 0.37 0.00 0.00 175.52 176.13 2c0s h LYS 51 N 0.00 0.00 0.00 6.66 1.79 -1.16 -3.46 116.57 120.40 2c0s h LYS 51 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2c0s h LYS 51 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2c0s h LYS 51 CO 0.00 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.73 2c0s n LYS 52 N -2.46 -1.01 -0.53 3.15 2.85 -0.36 -4.75 118.16 115.05 2c0s n LYS 52 Ca 0.01 0.25 0.07 0.00 -1.05 0.00 0.00 58.31 57.59 2c0s n LYS 52 Cb 0.20 -4.56 0.29 0.00 -0.65 0.00 0.00 35.03 30.31 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 -0.55 3.32 -2.27 -1.58 -0.00 -1.26 -4.89 118.16 110.93 2c0s n LYS 53 Ca 0.00 -2.31 -0.41 0.00 -0.00 0.00 0.00 58.31 55.60 2c0s n LYS 53 Cb 0.25 -1.82 -0.03 0.00 -0.00 0.00 0.00 35.03 33.43 2c0s n LYS 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2c0s s ARG 54 N -1.88 4.46 0.05 -1.58 1.70 -1.26 -4.91 118.95 115.54 2c0s s ARG 54 Ca 0.41 2.03 0.16 0.00 -0.47 0.00 0.00 55.73 57.86 2c0s s ARG 54 Cb 0.27 -3.15 0.70 0.00 -0.57 0.00 0.00 34.95 32.20 2c0s s ARG 54 CO 0.19 -0.07 1.52 0.66 -1.08 0.00 0.00 175.30 176.51 2c0s n TYR 55 N 1.48 0.16 0.76 5.89 4.01 -1.26 -1.71 117.16 126.49 2c0s n TYR 55 Ca 0.01 0.06 0.07 0.00 -0.16 0.00 0.00 57.90 57.89 2c0s n TYR 55 Cb 0.43 -0.60 0.39 0.00 -0.31 0.00 0.00 39.34 39.25 2c0s n TYR 55 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2c0s n SER 56 N -1.65 0.00 -0.52 7.72 7.64 -1.26 -0.67 113.62 124.88 2c0s n SER 56 Ca 0.03 -0.11 0.06 0.00 1.01 0.00 0.00 58.87 59.87 2c0s n SER 56 Cb 0.18 -0.18 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2c0s n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2c0s n LEU 57 N -1.18 2.12 -0.05 -3.43 4.77 -0.69 -4.11 117.00 114.42 2c0s n LEU 57 Ca 0.08 -1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 54.90 2c0s n LEU 57 Cb 0.09 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2c0s n LEU 57 CO 0.10 0.41 -0.69 0.18 -1.33 0.00 0.00 177.39 176.05 2c0s n LEU 58 N 0.71 1.22 -0.50 2.23 4.32 0.16 -4.63 117.00 120.51 2c0s n LEU 58 Ca 0.08 0.20 0.12 0.00 -0.02 0.00 0.00 56.01 56.39 2c0s n LEU 58 Cb 0.33 -0.47 0.46 0.00 -1.62 0.00 0.00 43.42 42.12 2c0s n LEU 58 CO 0.08 -0.07 0.83 -1.84 -1.22 0.00 0.00 177.39 175.16 2c0s n GLU 59 N -3.78 1.68 -3.65 3.23 0.28 -0.00 -4.61 120.64 113.78 2c0s n GLU 59 Ca -0.18 -1.00 -0.26 0.00 -0.16 0.00 0.00 57.16 55.56 2c0s n GLU 59 Cb 0.50 -1.43 -0.17 0.00 1.43 0.00 0.00 31.44 31.76 2c0s n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2c0s s HIS 60 N -1.89 0.42 -0.74 -1.84 5.04 -1.26 -5.04 115.29 109.99 2c0s s HIS 60 Ca 0.35 -0.41 -0.24 0.00 -1.54 0.00 0.00 55.06 53.22 2c0s s HIS 60 Cb 0.19 -0.77 0.06 0.00 0.04 0.00 0.00 32.58 32.10 2c0s s HIS 60 CO 0.30 -0.51 1.12 -1.01 -2.34 0.00 0.00 174.74 172.29 2c0s s HIS 61 N 2.06 2.57 0.00 3.88 3.76 -1.26 -3.91 115.29 122.40 2c0s s HIS 61 Ca 0.02 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2c0s s HIS 61 Cb -0.16 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.10 2c0s s HIS 61 CO -0.08 -1.80 0.00 1.58 -0.85 0.00 0.00 174.74 173.59 2c0s n HIS 62 N 8.23 0.00 0.00 1.40 -0.00 -1.26 -5.09 115.22 118.50 2c0s n HIS 62 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2c0s n HIS 62 Cb 0.47 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2c0s n HIS 62 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2c0s n HIS 63 N -2.14 0.00 0.46 1.57 -0.00 -1.26 -5.22 115.22 108.62 2c0s n HIS 63 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 2c0s n HIS 63 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2c0s n HIS 63 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95