#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 6.02 0.48 7.83 -0.87 -1.26 -4.69 114.94 122.44 2c0s s ASN 2 Ca 0.00 0.03 0.24 0.00 -1.57 0.00 0.00 52.86 51.56 2c0s s ASN 2 Cb 0.00 -1.48 1.19 0.00 -0.02 0.00 0.00 41.25 40.94 2c0s s ASN 2 CO 0.00 -0.43 1.96 -0.37 -2.57 0.00 0.00 177.10 175.69 2c0s h VAL 3 N 0.80 0.66 -0.26 1.60 -1.51 -1.80 -1.74 116.25 114.00 2c0s h VAL 3 Ca -0.47 -0.83 -0.09 0.00 -1.23 0.00 0.00 66.70 64.09 2c0s h VAL 3 Cb 1.25 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2c0s h VAL 3 CO 0.56 0.19 -0.21 0.00 -1.23 0.00 0.00 177.57 176.88 2c0s h THR 4 N 0.00 1.25 -0.32 7.19 1.03 -1.94 0.51 112.91 120.62 2c0s h THR 4 Ca -0.00 -1.17 -0.15 0.00 -0.01 0.00 0.00 66.41 65.08 2c0s h THR 4 Cb 0.51 1.28 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 2c0s h THR 4 CO 0.02 0.37 -0.42 0.11 -0.01 0.00 0.00 175.52 175.60 2c0s h LYS 5 N 0.42 0.79 -0.47 0.00 1.57 -1.72 -1.62 116.57 115.55 2c0s h LYS 5 Ca 0.07 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2c0s h LYS 5 Cb 0.60 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2c0s h LYS 5 CO 0.04 1.06 0.17 1.25 -0.57 0.00 0.00 179.45 181.40 2c0s h LEU 6 N 0.64 0.66 -0.60 2.94 5.85 -1.04 -1.85 115.31 121.91 2c0s h LEU 6 Ca 0.05 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2c0s h LEU 6 Cb 0.98 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2c0s h LEU 6 CO 0.09 0.66 0.24 -1.13 -0.34 0.00 0.00 178.44 177.97 2c0s h ASN 7 N 0.62 0.82 -0.84 1.25 -0.00 -0.76 -1.93 115.58 114.74 2c0s h ASN 7 Ca 0.15 -0.17 0.01 0.00 -0.00 0.00 0.00 56.30 56.30 2c0s h ASN 7 Cb 0.22 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 38.28 2c0s h ASN 7 CO -0.01 0.77 0.56 -0.78 -0.00 0.00 0.00 177.43 177.96 2c0s h ASP 8 N 0.83 0.95 -0.72 1.15 3.58 -1.05 -1.03 116.42 120.13 2c0s h ASP 8 Ca 0.20 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 2c0s h ASP 8 Cb 0.20 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2c0s h ASP 8 CO -0.02 0.69 0.23 0.03 -2.88 0.00 0.00 179.24 177.29 2c0s h ARG 9 N 1.12 1.12 -0.61 0.28 3.08 -0.89 -2.44 114.38 116.04 2c0s h ARG 9 Ca 0.31 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2c0s h ARG 9 Cb -0.11 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 2c0s h ARG 9 CO -0.07 0.96 0.39 0.82 -1.07 0.00 0.00 179.97 180.99 2c0s h ILE 10 N 1.07 1.11 -0.73 2.04 2.04 -0.50 -0.88 117.51 121.66 2c0s h ILE 10 Ca 0.23 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2c0s h ILE 10 Cb 0.30 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2c0s h ILE 10 CO -0.01 0.14 0.44 -0.33 0.00 0.00 0.00 178.15 178.40 2c0s h GLU 11 N 0.78 0.98 -0.14 2.37 5.08 -0.84 0.14 114.58 122.95 2c0s h GLU 11 Ca 0.24 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 2c0s h GLU 11 Cb -0.03 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2c0s h GLU 11 CO -0.08 0.68 -0.68 0.00 -1.00 0.00 0.00 179.01 177.93 2c0s h ALA 12 N 1.49 0.54 -0.07 3.43 0.00 -0.98 -2.89 119.26 120.78 2c0s h ALA 12 Ca 0.26 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2c0s h ALA 12 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2c0s h ALA 12 CO -0.05 0.72 -0.68 0.87 0.00 0.00 0.00 179.25 180.11 2c0s h LYS 13 N 0.42 0.32 0.00 0.00 1.57 -0.30 -2.73 116.57 115.85 2c0s h LYS 13 Ca -0.02 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 2c0s h LYS 13 Cb 1.26 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2c0s h LYS 13 CO 0.13 0.88 -0.64 1.57 -0.57 0.00 0.00 179.45 180.82 2c0s h LYS 14 N 0.23 0.00 0.00 3.15 2.10 -0.75 -1.58 116.57 119.71 2c0s h LYS 14 Ca -0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.51 2c0s h LYS 14 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 2c0s h LYS 14 CO 0.11 0.64 -0.59 0.87 -2.00 0.00 0.00 179.45 178.48 2c0s h LYS 15 N 0.00 0.00 -0.31 0.07 1.57 -1.42 -2.37 116.57 114.12 2c0s h LYS 15 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2c0s h LYS 15 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2c0s h LYS 15 CO 0.08 0.59 -0.11 1.49 -0.57 0.00 0.00 179.45 180.93 2c0s h GLU 16 N 0.00 0.62 -0.67 3.15 4.57 -1.17 -2.64 114.58 118.43 2c0s h GLU 16 Ca -0.01 -0.25 0.09 0.00 -1.18 0.00 0.00 59.36 58.01 2c0s h GLU 16 Cb 1.05 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.54 2c0s h GLU 16 CO 0.08 0.82 0.32 -0.07 -1.18 0.00 0.00 179.01 178.98 2c0s h LEU 17 N 0.38 0.41 -0.27 1.64 3.38 -1.05 0.21 115.31 120.00 2c0s h LEU 17 Ca 0.07 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2c0s h LEU 17 Cb 0.62 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2c0s h LEU 17 CO 0.04 0.24 -0.08 0.40 0.09 0.00 0.00 178.44 179.13 2c0s h ILE 18 N 0.56 0.71 -0.25 1.22 1.08 -1.08 0.32 117.51 120.07 2c0s h ILE 18 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.80 2c0s h ILE 18 Cb 0.34 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2c0s h ILE 18 CO -0.26 0.00 0.15 0.22 -0.69 0.00 0.00 178.15 177.57 2c0s h TYR 19 N -0.01 0.33 -0.34 1.37 3.20 -1.14 -2.25 116.97 118.12 2c0s h TYR 19 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2c0s h TYR 19 Cb 0.21 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2c0s h TYR 19 CO -0.27 0.25 0.17 -0.07 -1.64 0.00 0.00 178.16 176.59 2c0s h LEU 20 N 0.31 0.45 -0.73 2.82 3.38 -0.27 -1.57 115.31 119.70 2c0s h LEU 20 Ca 0.09 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2c0s h LEU 20 Cb 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2c0s h LEU 20 CO -0.02 0.44 0.46 0.58 0.09 0.00 0.00 178.44 179.99 2c0s h VAL 21 N 0.42 1.09 -0.08 1.22 2.07 -0.25 0.22 116.25 120.93 2c0s h VAL 21 Ca 0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2c0s h VAL 21 Cb 0.11 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2c0s h VAL 21 CO -0.02 0.16 0.00 -0.33 0.02 0.00 0.00 177.57 177.41 2c0s h GLU 22 N 0.88 0.14 0.22 1.57 5.08 -1.18 -1.13 114.58 120.16 2c0s h GLU 22 Ca 0.30 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 2c0s h GLU 22 Cb 0.04 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.31 2c0s h GLU 22 CO -0.12 0.40 -1.30 0.87 -1.00 0.00 0.00 179.01 177.87 2c0s h LYS 23 N -0.14 0.49 0.00 2.33 1.79 -1.05 -3.37 116.57 116.62 2c0s h LYS 23 Ca 0.02 -0.82 -0.28 0.00 -2.18 0.00 0.00 60.65 57.39 2c0s h LYS 23 Cb 0.34 0.30 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 2c0s h LYS 23 CO 0.00 1.39 -2.26 0.66 -1.08 0.00 0.00 179.45 178.17 2c0s n TYR 24 N -3.83 0.05 0.00 -1.35 4.01 0.74 -5.09 117.16 111.69 2c0s n TYR 24 Ca -0.16 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2c0s n TYR 24 Cb 1.03 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.63 3.20 0.14 2.72 0.00 -0.43 -4.54 105.19 107.91 2c0s n GLY 25 Ca -0.26 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.21 2c0s n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2c0s h PHE 26 N 0.00 0.00 -0.01 1.61 -0.00 -1.87 -2.16 116.94 114.51 2c0s h PHE 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2c0s h PHE 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2c0s h PHE 26 CO 0.00 0.00 -0.18 2.41 -0.00 0.00 0.00 178.31 180.54 2c0s n THR 27 N -2.38 0.00 -2.57 0.88 -1.04 -1.26 -4.82 114.28 103.09 2c0s n THR 27 Ca 0.03 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.45 2c0s n THR 27 Cb 0.32 0.43 -0.02 0.00 -1.82 0.00 0.00 70.33 69.24 2c0s n THR 27 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2c0s s HIS 28 N -2.35 2.75 0.49 -1.42 5.04 -0.81 -4.89 115.29 114.09 2c0s s HIS 28 Ca 0.28 0.68 0.14 0.00 -1.54 0.00 0.00 55.06 54.62 2c0s s HIS 28 Cb 0.20 -4.44 1.15 0.00 0.04 0.00 0.00 32.58 29.53 2c0s s HIS 28 CO 0.47 -1.38 2.12 0.45 -2.34 0.00 0.00 174.74 174.05 2c0s h HIS 29 N 9.44 0.13 -0.41 3.88 3.86 -1.88 -0.55 115.15 129.62 2c0s h HIS 29 Ca -0.24 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.92 2c0s h HIS 29 Cb 1.07 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2c0s h HIS 29 CO 0.98 0.09 0.02 0.87 0.86 0.00 0.00 177.93 180.76 2c0s h LYS 30 N 0.14 0.65 -0.37 2.45 1.79 -1.97 0.21 116.57 119.48 2c0s h LYS 30 Ca 0.04 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 58.22 2c0s h LYS 30 Cb -0.00 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2c0s h LYS 30 CO -0.01 0.66 -0.34 0.28 -1.08 0.00 0.00 179.45 178.96 2c0s h VAL 31 N 0.62 1.28 -0.50 0.50 2.07 -1.46 -1.82 116.25 116.93 2c0s h VAL 31 Ca 0.13 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 2c0s h VAL 31 Cb 0.36 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2c0s h VAL 31 CO 0.01 0.50 0.05 0.40 0.02 0.00 0.00 177.57 178.55 2c0s h ILE 32 N 0.70 1.24 -0.76 4.57 2.04 -0.77 0.09 117.51 124.61 2c0s h ILE 32 Ca 0.07 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2c0s h ILE 32 Cb 0.90 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2c0s h ILE 32 CO 0.08 0.33 0.46 -1.28 0.00 0.00 0.00 178.15 177.74 2c0s h SER 33 N 0.77 0.92 0.07 1.72 0.87 -0.18 -0.25 113.55 117.46 2c0s h SER 33 Ca 0.16 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2c0s h SER 33 Cb 0.39 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2c0s h SER 33 CO 0.01 0.71 -0.33 -0.26 -0.53 0.00 0.00 176.83 176.43 2c0s h PHE 34 N 1.04 0.43 -0.64 2.24 0.04 -0.58 -0.05 116.94 119.42 2c0s h PHE 34 Ca 0.27 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.88 2c0s h PHE 34 Cb -0.04 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2c0s h PHE 34 CO -0.01 0.67 0.14 1.03 -0.60 0.00 0.00 178.31 179.54 2c0s h SER 35 N 0.33 0.96 0.23 2.17 0.87 -0.27 0.15 113.55 117.97 2c0s h SER 35 Ca 0.04 -0.20 -0.15 0.00 -1.23 0.00 0.00 61.79 60.26 2c0s h SER 35 Cb 0.74 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2c0s h SER 35 CO 0.06 0.93 -0.57 1.56 -0.53 0.00 0.00 176.83 178.28 2c0s h GLN 36 N 0.96 0.36 -0.51 2.24 4.20 -0.57 0.19 115.11 121.98 2c0s h GLN 36 Ca 0.20 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2c0s h GLN 36 Cb 0.36 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2c0s h GLN 36 CO 0.00 0.82 0.15 1.49 -0.67 0.00 0.00 178.83 180.63 2c0s h GLU 37 N 0.27 0.79 -0.18 1.46 4.22 -0.48 0.53 114.58 121.19 2c0s h GLU 37 Ca 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 59.36 59.24 2c0s h GLU 37 Cb 1.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2c0s h GLU 37 CO 0.09 0.74 -0.01 1.25 -2.18 0.00 0.00 179.01 178.91 2c0s h LEU 38 N 0.69 0.32 -0.87 1.64 7.12 -0.52 -2.43 115.31 121.26 2c0s h LEU 38 Ca 0.16 -0.32 0.07 0.00 0.13 0.00 0.00 57.88 57.92 2c0s h LEU 38 Cb 0.28 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.26 2c0s h LEU 38 CO -0.00 0.56 0.53 -0.78 -0.13 0.00 0.00 178.44 178.62 2c0s h ASP 39 N 0.07 0.83 -0.24 1.25 3.58 -0.32 0.10 116.42 121.69 2c0s h ASP 39 Ca 0.05 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2c0s h ASP 39 Cb 0.40 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2c0s h ASP 39 CO 0.01 0.52 -0.26 -0.09 -2.88 0.00 0.00 179.24 176.54 2c0s h ARG 40 N 0.96 0.72 -0.62 0.28 9.65 -0.79 0.05 114.38 124.63 2c0s h ARG 40 Ca 0.39 -0.31 -0.07 0.00 -1.10 0.00 0.00 59.98 58.89 2c0s h ARG 40 Cb 0.21 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2c0s h ARG 40 CO -0.19 0.91 0.12 -0.07 2.80 0.00 0.00 179.97 183.55 2c0s h LEU 41 N 0.62 0.97 -1.04 3.80 3.38 -0.80 -1.13 115.31 121.11 2c0s h LEU 41 Ca 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2c0s h LEU 41 Cb 0.77 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2c0s h LEU 41 CO 0.06 0.97 0.29 0.25 0.09 0.00 0.00 178.44 180.10 2c0s h LEU 42 N 0.93 0.89 -1.07 1.67 5.85 -0.69 -2.28 115.31 120.60 2c0s h LEU 42 Ca 0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2c0s h LEU 42 Cb 0.40 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2c0s h LEU 42 CO 0.01 0.78 -0.33 -1.13 -0.34 0.00 0.00 178.44 177.43 2c0s h ASN 43 N 0.96 0.24 -0.52 1.25 -0.00 -0.39 -2.55 115.58 114.58 2c0s h ASN 43 Ca 0.23 -0.09 0.06 0.00 -0.00 0.00 0.00 56.30 56.50 2c0s h ASN 43 Cb 0.15 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 38.36 2c0s h ASN 43 CO -0.02 0.56 0.23 -0.07 -0.00 0.00 0.00 177.43 178.13 2c0s h LEU 44 N 0.21 0.29 0.01 0.34 3.38 -0.62 0.41 115.31 119.33 2c0s h LEU 44 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2c0s h LEU 44 Cb 0.69 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2c0s h LEU 44 CO 0.05 0.20 -0.00 -0.07 0.09 0.00 0.00 178.44 178.71 2c0s h LEU 45 N 0.44 -0.01 -0.24 1.67 3.38 -1.38 -1.20 115.31 117.98 2c0s h LEU 45 Ca 0.24 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2c0s h LEU 45 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2c0s h LEU 45 CO -0.20 0.00 0.13 0.40 0.09 0.00 0.00 178.44 178.87 2c0s h ILE 46 N -0.02 1.11 0.13 1.22 2.04 -1.16 -0.69 117.51 120.14 2c0s h ILE 46 Ca -0.00 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2c0s h ILE 46 Cb 0.02 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2c0s h ILE 46 CO 0.00 0.11 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 2c0s h GLU 47 N 0.28 -0.31 -0.47 2.37 4.22 -0.01 0.18 114.58 120.83 2c0s h GLU 47 Ca 0.08 0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 2c0s h GLU 47 Cb 0.06 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2c0s h GLU 47 CO -0.01 -0.21 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.45 2c0s h LEU 48 N -0.32 0.84 -0.90 1.64 -0.00 -1.15 -2.17 115.31 113.23 2c0s h LEU 48 Ca 0.01 -0.25 -0.09 0.00 -0.00 0.00 0.00 57.88 57.55 2c0s h LEU 48 Cb 0.32 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2c0s h LEU 48 CO -0.05 0.95 -0.44 0.11 -0.00 0.00 0.00 178.44 179.00 2c0s h LYS 49 N 0.77 0.00 -0.47 1.13 1.57 -0.77 0.48 116.57 119.28 2c0s h LYS 49 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2c0s h LYS 49 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2c0s h LYS 49 CO 0.04 0.44 -0.18 1.15 -0.57 0.00 0.00 179.45 180.33 2c0s h THR 50 N 0.00 1.27 0.30 -0.16 2.02 -0.35 -3.32 112.91 112.67 2c0s h THR 50 Ca -0.00 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 2c0s h THR 50 Cb 0.94 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2c0s h THR 50 CO 0.06 0.46 -0.14 0.11 0.37 0.00 0.00 175.52 176.37 2c0s h LYS 51 N 0.80 -0.38 0.00 6.66 1.57 -1.06 -3.46 116.57 120.70 2c0s h LYS 51 Ca 0.11 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2c0s h LYS 51 Cb 0.75 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2c0s h LYS 51 CO 0.06 -0.23 0.00 0.36 -0.57 0.00 0.00 179.45 179.07 2c0s n LYS 52 N -5.04 0.00 0.09 3.15 2.85 0.16 -4.62 118.16 114.75 2c0s n LYS 52 Ca -0.05 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.26 2c0s n LYS 52 Cb 0.17 -1.24 0.29 0.00 -0.65 0.00 0.00 35.03 33.60 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 0.00 0.07 0.04 -1.58 2.85 -1.26 -0.68 118.16 117.60 2c0s n LYS 53 Ca 0.00 0.54 0.11 0.00 -1.05 0.00 0.00 58.31 57.91 2c0s n LYS 53 Cb 0.00 -1.81 0.05 0.00 -0.65 0.00 0.00 35.03 32.62 2c0s n LYS 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2c0s n ARG 54 N -1.86 0.33 -0.73 -1.58 5.12 -1.26 -4.95 116.66 111.73 2c0s n ARG 54 Ca -0.01 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2c0s n ARG 54 Cb 0.10 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 2c0s n ARG 54 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2c0s n TYR 55 N -2.07 0.00 1.24 -1.55 4.01 0.14 -4.79 117.16 114.14 2c0s n TYR 55 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2c0s n TYR 55 Cb 0.45 -1.65 0.00 0.00 -0.31 0.00 0.00 39.34 37.83 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 -0.28 0.33 0.12 7.72 7.64 -1.26 -1.00 113.62 126.89 2c0s n SER 56 Ca 0.00 -1.57 0.02 0.00 1.01 0.00 0.00 58.87 58.33 2c0s n SER 56 Cb 0.31 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2c0s n SER 56 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2c0s h LEU 57 N 0.09 0.00 0.00 -3.43 4.07 -1.89 -3.39 115.31 110.76 2c0s h LEU 57 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2c0s h LEU 57 Cb 0.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 2c0s h LEU 57 CO 0.00 0.53 -0.87 0.18 -1.08 0.00 0.00 178.44 177.20 2c0s n LEU 58 N -3.20 1.70 0.00 1.67 4.32 -0.17 -3.30 117.00 118.02 2c0s n LEU 58 Ca 0.01 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 2c0s n LEU 58 Cb 0.76 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2c0s n LEU 58 CO 0.41 -0.32 0.00 -1.84 -1.22 0.00 0.00 177.39 174.42 2c0s n GLU 59 N -4.19 1.22 -2.50 3.23 0.28 -0.68 -4.61 120.64 113.39 2c0s n GLU 59 Ca -0.13 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.68 2c0s n GLU 59 Cb 0.42 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.37 2c0s n GLU 59 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2c0s n HIS 60 N -0.88 -2.71 -0.00 -1.84 8.25 -1.26 -4.39 115.22 112.39 2c0s n HIS 60 Ca 0.00 -1.68 -0.00 0.00 -0.26 0.00 0.00 57.72 55.78 2c0s n HIS 60 Cb 0.00 -0.56 -0.00 0.00 1.12 0.00 0.00 29.99 30.55 2c0s n HIS 60 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c0s n HIS 61 N -2.39 0.00 -1.31 4.41 -0.00 -1.26 -4.55 115.22 110.11 2c0s n HIS 61 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.66 2c0s n HIS 61 Cb 0.52 -0.02 0.17 0.00 -0.00 0.00 0.00 29.99 30.66 2c0s n HIS 61 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2c0s n HIS 62 N -2.60 2.59 -3.86 4.41 1.44 -1.26 -4.86 115.22 111.09 2c0s n HIS 62 Ca -0.00 -1.90 -0.08 0.00 -2.01 0.00 0.00 57.72 53.72 2c0s n HIS 62 Cb 0.02 -0.87 -0.00 0.00 0.12 0.00 0.00 29.99 29.25 2c0s n HIS 62 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2c0s s HIS 63 N -3.34 0.03 0.00 -1.40 5.65 -1.26 -5.29 115.29 109.68 2c0s s HIS 63 Ca 0.55 -0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.29 2c0s s HIS 63 Cb 0.46 0.70 0.00 0.00 -1.18 0.00 0.00 32.58 32.56 2c0s s HIS 63 CO 0.07 -1.36 0.11 1.58 -0.65 0.00 0.00 174.74 174.48