#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0s s ASN 2 N 0.00 6.35 0.52 7.83 0.01 -1.26 -4.96 114.94 123.43 2c0s s ASN 2 Ca 0.00 1.47 0.31 0.00 -0.71 0.00 0.00 52.86 53.93 2c0s s ASN 2 Cb 0.00 -2.48 1.32 0.00 0.41 0.00 0.00 41.25 40.49 2c0s s ASN 2 CO 0.00 -0.78 1.98 -0.37 -1.51 0.00 0.00 177.10 176.41 2c0s h VAL 3 N 0.07 0.24 -0.32 1.60 -1.51 -2.06 -2.92 116.25 111.36 2c0s h VAL 3 Ca -0.45 -0.66 0.09 0.00 -1.23 0.00 0.00 66.70 64.45 2c0s h VAL 3 Cb 1.19 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 2c0s h VAL 3 CO 0.62 0.08 0.28 0.00 -1.23 0.00 0.00 177.57 177.32 2c0s h THR 4 N 0.00 0.58 -0.54 7.19 1.03 -2.01 -1.28 112.91 117.89 2c0s h THR 4 Ca -0.00 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.44 2c0s h THR 4 Cb 0.53 0.79 -0.03 0.00 -1.07 0.00 0.00 68.15 68.36 2c0s h THR 4 CO 0.01 0.00 0.36 0.07 -0.01 0.00 0.00 175.52 175.95 2c0s h LYS 5 N 0.00 0.57 -0.21 0.00 2.10 -1.91 -1.23 116.57 115.89 2c0s h LYS 5 Ca 0.15 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.71 2c0s h LYS 5 Cb 0.72 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 2c0s h LYS 5 CO -0.00 0.38 -0.10 1.25 -2.00 0.00 0.00 179.45 178.98 2c0s h LEU 6 N 0.59 0.44 -1.03 7.07 5.85 -1.47 -0.92 115.31 125.85 2c0s h LEU 6 Ca 0.22 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2c0s h LEU 6 Cb 0.14 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2c0s h LEU 6 CO -0.06 0.75 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.55 2c0s h ASN 7 N 0.13 0.55 -0.12 1.25 -1.24 -1.48 -1.19 115.58 113.49 2c0s h ASN 7 Ca 0.05 -0.15 -0.14 0.00 0.71 0.00 0.00 56.30 56.77 2c0s h ASN 7 Cb 0.59 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2c0s h ASN 7 CO 0.03 0.70 -0.40 -0.78 -1.29 0.00 0.00 177.43 175.69 2c0s h ASP 8 N 0.52 0.68 0.38 1.15 3.58 -1.02 -1.82 116.42 119.89 2c0s h ASP 8 Ca 0.10 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.12 2c0s h ASP 8 Cb 0.51 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2c0s h ASP 8 CO 0.03 1.00 -0.50 0.03 -2.88 0.00 0.00 179.24 176.92 2c0s h ARG 9 N 0.53 0.14 -0.52 0.28 3.08 -0.62 -2.59 114.38 114.68 2c0s h ARG 9 Ca 0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2c0s h ARG 9 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2c0s h ARG 9 CO 0.08 0.61 0.21 0.82 -1.07 0.00 0.00 179.97 180.62 2c0s h ILE 10 N 0.11 1.22 -0.58 2.04 2.04 -0.88 -1.49 117.51 119.96 2c0s h ILE 10 Ca 0.00 -0.67 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2c0s h ILE 10 Cb 0.92 0.68 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 2c0s h ILE 10 CO 0.07 0.26 -0.03 -0.33 0.00 0.00 0.00 178.15 178.12 2c0s h GLU 11 N 0.70 0.09 -0.00 2.37 4.39 -0.97 0.12 114.58 121.29 2c0s h GLU 11 Ca 0.17 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 2c0s h GLU 11 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2c0s h GLU 11 CO -0.01 0.06 -0.46 0.00 -1.16 0.00 0.00 179.01 177.43 2c0s h ALA 12 N 1.54 1.23 0.01 3.43 0.00 -1.20 -2.87 119.26 121.39 2c0s h ALA 12 Ca 0.30 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2c0s h ALA 12 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2c0s h ALA 12 CO -0.52 0.58 -0.90 -0.22 0.00 0.00 0.00 179.25 178.19 2c0s h LYS 13 N 0.00 0.05 -0.24 0.00 3.64 0.06 0.10 116.57 120.19 2c0s h LYS 13 Ca -0.00 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 2c0s h LYS 13 Cb 0.82 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2c0s h LYS 13 CO 0.06 0.91 -0.54 0.87 -2.27 0.00 0.00 179.45 178.48 2c0s h LYS 14 N 0.02 0.70 0.00 1.90 1.57 -1.24 -0.39 116.57 119.13 2c0s h LYS 14 Ca -0.02 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 2c0s h LYS 14 Cb 1.57 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2c0s h LYS 14 CO 0.12 1.06 -0.82 0.87 -0.57 0.00 0.00 179.45 180.11 2c0s h LYS 15 N 0.54 0.00 -0.39 3.15 1.57 -1.27 -1.71 116.57 118.47 2c0s h LYS 15 Ca 0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2c0s h LYS 15 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2c0s h LYS 15 CO 0.11 0.82 0.15 1.49 -0.57 0.00 0.00 179.45 181.45 2c0s h GLU 16 N 0.00 0.58 -0.27 3.15 4.57 -0.66 -2.56 114.58 119.39 2c0s h GLU 16 Ca -0.01 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2c0s h GLU 16 Cb 1.45 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 2c0s h GLU 16 CO 0.11 0.56 -0.13 1.25 -1.18 0.00 0.00 179.01 179.62 2c0s h LEU 17 N 0.48 0.44 -0.63 1.64 5.85 -0.85 -1.81 115.31 120.42 2c0s h LEU 17 Ca 0.13 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2c0s h LEU 17 Cb 0.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2c0s h LEU 17 CO -0.01 0.60 0.37 0.40 -0.34 0.00 0.00 178.44 179.46 2c0s h ILE 18 N 0.42 1.05 -0.66 4.05 2.04 -1.00 0.69 117.51 124.10 2c0s h ILE 18 Ca 0.08 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2c0s h ILE 18 Cb 0.48 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2c0s h ILE 18 CO 0.03 0.13 0.33 0.22 0.00 0.00 0.00 178.15 178.86 2c0s h TYR 19 N 0.73 0.91 -0.22 1.37 3.20 -0.96 0.15 116.97 122.15 2c0s h TYR 19 Ca 0.26 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 2c0s h TYR 19 Cb 0.06 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2c0s h TYR 19 CO -0.06 0.65 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.50 2c0s h LEU 20 N 0.93 0.73 -0.67 2.82 3.38 -0.72 -1.45 115.31 120.33 2c0s h LEU 20 Ca 0.23 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2c0s h LEU 20 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2c0s h LEU 20 CO -0.03 1.13 -0.49 0.58 0.09 0.00 0.00 178.44 179.72 2c0s h VAL 21 N 0.50 1.33 0.28 1.22 2.07 -0.21 0.21 116.25 121.65 2c0s h VAL 21 Ca 0.01 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2c0s h VAL 21 Cb 1.11 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2c0s h VAL 21 CO 0.11 0.53 -0.14 -0.08 0.02 0.00 0.00 177.57 178.01 2c0s h GLU 22 N 0.34 -0.37 0.01 1.57 4.22 -0.56 -0.62 114.58 119.18 2c0s h GLU 22 Ca 0.02 0.02 -0.24 0.00 0.08 0.00 0.00 59.36 59.24 2c0s h GLU 22 Cb 0.99 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2c0s h GLU 22 CO 0.09 -0.22 -1.23 0.87 -2.18 0.00 0.00 179.01 176.34 2c0s h LYS 23 N -0.42 0.02 0.00 1.92 1.79 -1.18 -3.40 116.57 115.31 2c0s h LYS 23 Ca -0.04 -0.04 -0.32 0.00 -2.18 0.00 0.00 60.65 58.07 2c0s h LYS 23 Cb 0.32 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 2c0s h LYS 23 CO 0.06 0.88 -2.09 0.66 -1.08 0.00 0.00 179.45 177.89 2c0s n TYR 24 N -3.28 0.00 0.00 -1.35 4.01 0.72 -5.09 117.16 112.17 2c0s n TYR 24 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2c0s n TYR 24 Cb 0.98 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.89 0.49 0.00 2.72 0.00 -0.24 -4.82 105.19 105.23 2c0s n GLY 25 Ca -0.38 -2.27 0.10 0.00 0.00 0.00 0.00 46.02 43.48 2c0s n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2c0s n PHE 26 N 0.40 0.00 -0.13 1.61 1.16 -1.26 -4.21 117.46 115.04 2c0s n PHE 26 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 2c0s n PHE 26 Cb 0.00 -0.12 0.26 0.00 -1.61 0.00 0.00 39.48 38.01 2c0s n PHE 26 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2c0s n THR 27 N -1.68 1.60 -3.83 1.97 -2.24 -1.26 -4.75 114.28 104.08 2c0s n THR 27 Ca 0.02 -0.88 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 2c0s n THR 27 Cb 0.39 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.00 3.37 0.29 4.78 2.46 -1.26 -5.00 115.29 117.94 2c0s s HIS 28 Ca 0.36 0.27 -0.01 0.00 0.47 0.00 0.00 55.06 56.15 2c0s s HIS 28 Cb 0.26 -2.11 0.46 0.00 -0.13 0.00 0.00 32.58 31.05 2c0s s HIS 28 CO 0.13 0.29 1.92 1.25 -2.47 0.00 0.00 174.74 175.86 2c0s h HIS 29 N 6.52 1.10 -0.53 3.88 2.76 -1.95 -1.88 115.15 125.05 2c0s h HIS 29 Ca -0.41 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.84 2c0s h HIS 29 Cb 1.16 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 2c0s h HIS 29 CO 0.59 0.61 0.26 0.87 -1.30 0.00 0.00 177.93 178.96 2c0s h LYS 30 N 1.11 0.49 -0.64 5.26 1.57 -1.98 0.12 116.57 122.50 2c0s h LYS 30 Ca 0.38 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 2c0s h LYS 30 Cb 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2c0s h LYS 30 CO -0.13 0.33 0.40 0.28 -0.57 0.00 0.00 179.45 179.76 2c0s h VAL 31 N 0.51 1.09 -0.40 0.50 2.07 -1.69 0.11 116.25 118.43 2c0s h VAL 31 Ca 0.24 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2c0s h VAL 31 Cb 0.16 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2c0s h VAL 31 CO -0.17 0.14 -0.11 0.40 0.02 0.00 0.00 177.57 177.85 2c0s h ILE 32 N 0.79 1.25 -0.53 4.57 2.04 -0.92 0.68 117.51 125.39 2c0s h ILE 32 Ca 0.25 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 2c0s h ILE 32 Cb 0.00 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2c0s h ILE 32 CO -0.10 0.38 0.04 -1.28 0.00 0.00 0.00 178.15 177.19 2c0s h SER 33 N 0.64 0.88 -0.04 1.72 0.87 0.31 -1.91 113.55 116.02 2c0s h SER 33 Ca 0.11 -0.29 -0.16 0.00 -1.23 0.00 0.00 61.79 60.23 2c0s h SER 33 Cb 0.56 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2c0s h SER 33 CO 0.03 0.95 -0.50 -0.26 -0.53 0.00 0.00 176.83 176.53 2c0s h PHE 34 N 0.79 0.75 -0.27 2.24 0.04 -0.42 -2.77 116.94 117.29 2c0s h PHE 34 Ca 0.16 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2c0s h PHE 34 Cb 0.48 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2c0s h PHE 34 CO 0.04 0.98 0.15 1.03 -0.60 0.00 0.00 178.31 179.91 2c0s h SER 35 N 0.48 0.34 0.39 2.17 0.87 -0.68 0.14 113.55 117.26 2c0s h SER 35 Ca 0.02 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2c0s h SER 35 Cb 1.04 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2c0s h SER 35 CO 0.10 0.33 -0.40 0.06 -0.53 0.00 0.00 176.83 176.38 2c0s h GLN 36 N 0.33 0.01 -0.06 2.24 3.07 -1.37 0.19 115.11 119.51 2c0s h GLN 36 Ca 0.10 -0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.67 2c0s h GLN 36 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2c0s h GLN 36 CO -0.02 0.41 -0.67 0.93 0.09 0.00 0.00 178.83 179.57 2c0s h GLU 37 N 0.01 0.26 -0.25 0.06 4.39 -1.15 -1.17 114.58 116.73 2c0s h GLU 37 Ca -0.00 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.36 2c0s h GLU 37 Cb 0.71 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2c0s h GLU 37 CO 0.05 0.84 -0.38 1.25 -1.16 0.00 0.00 179.01 179.61 2c0s h LEU 38 N 0.19 0.77 -0.50 1.33 6.46 -0.09 -1.48 115.31 121.99 2c0s h LEU 38 Ca -0.02 -0.52 0.05 0.00 -0.12 0.00 0.00 57.88 57.28 2c0s h LEU 38 Cb 1.21 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.87 2c0s h LEU 38 CO 0.11 1.14 0.24 -0.78 -0.62 0.00 0.00 178.44 178.52 2c0s h ASP 39 N 0.43 0.32 -0.24 1.25 3.58 -0.47 0.14 116.42 121.44 2c0s h ASP 39 Ca 0.02 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2c0s h ASP 39 Cb 0.97 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 2c0s h ASP 39 CO 0.09 0.22 -0.07 -0.09 -2.88 0.00 0.00 179.24 176.51 2c0s h ARG 40 N 0.46 0.61 -0.56 0.28 9.65 -1.15 -1.80 114.38 121.87 2c0s h ARG 40 Ca 0.23 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 2c0s h ARG 40 Cb 0.16 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2c0s h ARG 40 CO -0.17 0.68 -0.06 1.25 2.80 0.00 0.00 179.97 184.47 2c0s h LEU 41 N 0.56 1.00 -0.86 3.80 5.85 -0.15 -2.41 115.31 123.10 2c0s h LEU 41 Ca 0.11 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2c0s h LEU 41 Cb 0.47 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2c0s h LEU 41 CO 0.02 1.09 -0.27 0.25 -0.34 0.00 0.00 178.44 179.19 2c0s h LEU 42 N 0.91 0.54 -1.54 2.25 5.85 -0.75 -2.71 115.31 119.87 2c0s h LEU 42 Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2c0s h LEU 42 Cb 0.61 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2c0s h LEU 42 CO 0.04 0.79 0.37 0.78 -0.34 0.00 0.00 178.44 180.08 2c0s h ASN 43 N 0.46 0.51 -0.50 1.25 -0.26 -0.84 -2.40 115.58 113.80 2c0s h ASN 43 Ca 0.06 -0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.88 2c0s h ASN 43 Cb 0.71 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.83 2c0s h ASN 43 CO 0.05 0.34 0.34 -0.07 -1.06 0.00 0.00 177.43 177.03 2c0s h LEU 44 N 0.58 0.31 -0.63 1.61 3.38 -1.21 0.21 115.31 119.56 2c0s h LEU 44 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2c0s h LEU 44 Cb 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2c0s h LEU 44 CO -0.07 0.20 0.35 -0.07 0.09 0.00 0.00 178.44 178.94 2c0s h LEU 45 N 0.35 0.79 -0.01 1.67 3.38 -1.56 0.17 115.31 120.10 2c0s h LEU 45 Ca 0.22 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2c0s h LEU 45 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2c0s h LEU 45 CO -0.05 0.65 -0.08 0.40 0.09 0.00 0.00 178.44 179.44 2c0s h ILE 46 N 0.86 1.53 -0.94 1.22 5.03 -1.36 -3.29 117.51 120.57 2c0s h ILE 46 Ca 0.22 -1.67 -0.01 0.00 -0.12 0.00 0.00 64.86 63.29 2c0s h ILE 46 Cb 0.03 2.61 -0.05 0.00 -3.03 0.00 0.00 36.82 36.38 2c0s h ILE 46 CO -0.04 0.44 0.56 -0.33 -0.68 0.00 0.00 178.15 178.10 2c0s h GLU 47 N -0.58 1.28 -0.31 2.37 4.39 -0.45 -1.44 114.58 119.84 2c0s h GLU 47 Ca -0.01 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2c0s h GLU 47 Cb 0.77 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2c0s h GLU 47 CO 0.02 0.90 0.12 1.25 -1.16 0.00 0.00 179.01 180.13 2c0s h LEU 48 N 1.29 0.43 -0.82 1.33 7.12 -0.78 -1.26 115.31 122.62 2c0s h LEU 48 Ca 0.33 -0.17 -0.12 0.00 0.13 0.00 0.00 57.88 58.05 2c0s h LEU 48 Cb -0.04 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 2c0s h LEU 48 CO -0.06 0.49 -0.52 0.07 -0.13 0.00 0.00 178.44 178.28 2c0s h LYS 49 N 0.34 0.17 0.00 1.25 2.10 -1.58 -2.40 116.57 116.45 2c0s h LYS 49 Ca 0.10 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2c0s h LYS 49 Cb 0.20 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2c0s h LYS 49 CO -0.01 0.65 0.00 1.15 -2.00 0.00 0.00 179.45 179.25 2c0s h THR 50 N 0.14 0.00 0.00 0.07 2.02 -0.87 -2.25 112.91 112.02 2c0s h THR 50 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2c0s h THR 50 Cb 0.97 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2c0s h THR 50 CO 0.08 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.08 2c0s h LYS 51 N 0.00 0.00 0.00 6.66 1.79 -0.70 -3.46 116.57 120.86 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 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 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 -2.51 -1.98 -0.59 3.15 2.85 -0.85 -4.77 118.16 113.47 2c0s n LYS 52 Ca 0.00 0.42 0.05 0.00 -1.05 0.00 0.00 58.31 57.73 2c0s n LYS 52 Cb 0.18 -4.61 0.27 0.00 -0.65 0.00 0.00 35.03 30.22 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 0.82 3.56 -5.12 -1.58 -0.00 -1.26 -4.76 118.16 109.83 2c0s n LYS 53 Ca 0.00 -2.12 -0.30 0.00 -0.00 0.00 0.00 58.31 55.90 2c0s n LYS 53 Cb 0.42 -1.99 -0.15 0.00 -0.00 0.00 0.00 35.03 33.31 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 -2.14 1.91 0.00 -1.58 1.81 -1.26 -5.01 118.95 112.68 2c0s s ARG 54 Ca 0.37 -0.94 0.27 0.00 -1.72 0.00 0.00 55.73 53.70 2c0s s ARG 54 Cb 0.28 -1.92 1.20 0.00 -0.45 0.00 0.00 34.95 34.06 2c0s s ARG 54 CO 0.12 0.52 1.87 0.98 -0.68 0.00 0.00 175.30 178.10 2c0s n TYR 55 N 2.26 0.00 -0.19 -0.53 9.36 -1.26 -3.54 117.16 123.26 2c0s n TYR 55 Ca -0.16 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.31 2c0s n TYR 55 Cb 0.52 -0.44 0.65 0.00 -0.63 0.00 0.00 39.34 39.43 2c0s n TYR 55 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2c0s h SER 56 N 0.00 0.14 0.36 2.98 0.02 -1.95 0.16 113.55 115.25 2c0s h SER 56 Ca 0.00 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2c0s h SER 56 Cb 0.40 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2c0s h SER 56 CO 0.00 0.05 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.32 2c0s h LEU 57 N 0.13 0.00 0.00 5.07 4.07 -1.92 -0.62 115.31 122.04 2c0s h LEU 57 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 2c0s h LEU 57 Cb 1.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.23 2c0s h LEU 57 CO -0.07 0.35 -0.76 0.18 -1.08 0.00 0.00 178.44 177.06 2c0s n LEU 58 N -4.11 0.67 -0.23 1.67 7.99 0.49 -3.08 117.00 120.40 2c0s n LEU 58 Ca -0.02 0.15 0.13 0.00 -0.01 0.00 0.00 56.01 56.25 2c0s n LEU 58 Cb 0.39 -0.15 0.31 0.00 -0.11 0.00 0.00 43.42 43.86 2c0s n LEU 58 CO 0.38 -0.02 0.58 -0.62 -1.51 0.00 0.00 177.39 176.20 2c0s n GLU 59 N -2.07 0.75 -2.91 3.23 1.02 -0.82 -4.65 120.64 115.19 2c0s n GLU 59 Ca 0.03 -0.47 -0.44 0.00 -0.02 0.00 0.00 57.16 56.26 2c0s n GLU 59 Cb 0.44 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2c0s n GLU 59 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2c0s s HIS 60 N -2.57 3.05 -0.07 -0.32 2.46 -0.30 -5.00 115.29 112.54 2c0s s HIS 60 Ca 0.22 -1.27 -0.20 0.00 0.47 0.00 0.00 55.06 54.28 2c0s s HIS 60 Cb 0.19 -4.29 -0.04 0.00 -0.13 0.00 0.00 32.58 28.31 2c0s s HIS 60 CO 0.56 -1.51 0.54 -1.58 -2.47 0.00 0.00 174.74 170.28 2c0s s HIS 61 N 2.90 3.58 0.07 3.88 5.04 -1.26 -4.81 115.29 124.68 2c0s s HIS 61 Ca 0.31 1.04 0.00 0.00 -1.54 0.00 0.00 55.06 54.87 2c0s s HIS 61 Cb -0.06 -2.60 0.00 0.00 0.04 0.00 0.00 32.58 29.96 2c0s s HIS 61 CO -0.07 0.22 0.00 1.58 -2.34 0.00 0.00 174.74 174.13 2c0s n HIS 62 N 3.36 -2.76 -2.84 3.88 -0.00 -1.26 -5.15 115.22 110.46 2c0s n HIS 62 Ca -0.06 0.23 -0.20 0.00 -0.00 0.00 0.00 57.72 57.69 2c0s n HIS 62 Cb 0.51 1.00 0.09 0.00 -0.00 0.00 0.00 29.99 31.59 2c0s n HIS 62 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2c0s n HIS 63 N -2.64 -2.62 -1.33 1.57 1.44 -1.26 -5.34 115.22 105.05 2c0s n HIS 63 Ca 0.00 -1.84 0.00 0.00 -2.01 0.00 0.00 57.72 53.87 2c0s n HIS 63 Cb 0.00 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 29.52 2c0s n HIS 63 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11