#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 7.00 0.54 3.17 3.84 -1.26 -4.08 114.94 124.15 2c0s s ASN 2 Ca 0.00 2.48 0.26 0.00 0.21 0.00 0.00 52.86 55.80 2c0s s ASN 2 Cb 0.00 -2.63 1.55 0.00 -0.55 0.00 0.00 41.25 39.61 2c0s s ASN 2 CO 0.00 -0.37 2.16 -0.37 -2.79 0.00 0.00 177.10 175.73 2c0s h VAL 3 N 3.15 0.67 0.00 -5.21 -1.51 -1.94 -0.58 116.25 110.84 2c0s h VAL 3 Ca -0.47 -0.24 -0.04 0.00 -1.23 0.00 0.00 66.70 64.72 2c0s h VAL 3 Cb 1.22 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2c0s h VAL 3 CO 0.67 0.06 -0.17 0.00 -1.23 0.00 0.00 177.57 176.90 2c0s h THR 4 N 0.00 0.81 0.00 7.19 1.03 -1.99 -1.65 112.91 118.30 2c0s h THR 4 Ca -0.00 -0.67 -0.14 0.00 -0.01 0.00 0.00 66.41 65.59 2c0s h THR 4 Cb 0.14 1.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.60 2c0s h THR 4 CO 0.01 0.17 -0.65 0.11 -0.01 0.00 0.00 175.52 175.14 2c0s h LYS 5 N 0.00 0.00 -0.24 0.00 1.79 -1.48 0.13 116.57 116.78 2c0s h LYS 5 Ca -0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2c0s h LYS 5 Cb 0.38 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2c0s h LYS 5 CO 0.02 0.65 -0.56 1.25 -1.08 0.00 0.00 179.45 179.74 2c0s h LEU 6 N 0.00 0.81 -1.12 2.94 5.85 -1.32 -0.61 115.31 121.86 2c0s h LEU 6 Ca -0.01 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 2c0s h LEU 6 Cb 1.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2c0s h LEU 6 CO 0.08 1.20 -0.36 -1.13 -0.34 0.00 0.00 178.44 177.89 2c0s h ASN 7 N 0.55 0.15 -0.39 1.25 -0.00 -1.11 -2.43 115.58 113.61 2c0s h ASN 7 Ca 0.01 -0.05 -0.12 0.00 -0.00 0.00 0.00 56.30 56.14 2c0s h ASN 7 Cb 1.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.40 2c0s h ASN 7 CO 0.11 0.50 -0.19 -0.78 -0.00 0.00 0.00 177.43 177.08 2c0s h ASP 8 N 0.13 0.89 -0.90 1.15 3.58 -0.36 -1.33 116.42 119.58 2c0s h ASP 8 Ca 0.01 -0.32 0.03 0.00 0.42 0.00 0.00 57.03 57.18 2c0s h ASP 8 Cb 0.70 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 2c0s h ASP 8 CO 0.05 1.06 0.59 0.03 -2.88 0.00 0.00 179.24 178.09 2c0s h ARG 9 N 0.77 1.12 0.05 0.28 2.47 -0.66 -0.45 114.38 117.96 2c0s h ARG 9 Ca 0.11 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2c0s h ARG 9 Cb 0.73 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2c0s h ARG 9 CO 0.06 0.74 -0.02 0.82 0.56 0.00 0.00 179.97 182.12 2c0s h ILE 10 N 1.15 1.04 -0.28 2.04 2.04 -1.07 -2.38 117.51 120.04 2c0s h ILE 10 Ca 0.35 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.98 2c0s h ILE 10 Cb -0.02 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2c0s h ILE 10 CO -0.10 0.07 -0.08 -0.08 0.00 0.00 0.00 178.15 177.96 2c0s h GLU 11 N -0.19 -0.02 -0.56 2.37 4.81 -0.47 0.18 114.58 120.69 2c0s h GLU 11 Ca -0.01 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2c0s h GLU 11 Cb 0.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2c0s h GLU 11 CO 0.01 -0.01 0.37 0.00 -0.73 0.00 0.00 179.01 178.65 2c0s h ALA 12 N 1.26 1.70 0.01 2.92 0.00 -1.09 -1.35 119.26 122.71 2c0s h ALA 12 Ca 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2c0s h ALA 12 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2c0s h ALA 12 CO -0.30 0.24 -0.91 -0.22 0.00 0.00 0.00 179.25 178.06 2c0s h LYS 13 N 0.66 0.04 -0.63 0.00 3.64 -0.53 -2.14 116.57 117.62 2c0s h LYS 13 Ca 0.22 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2c0s h LYS 13 Cb 0.07 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2c0s h LYS 13 CO -0.06 0.92 0.30 0.87 -2.27 0.00 0.00 179.45 179.21 2c0s h LYS 14 N 0.02 0.91 -0.54 1.90 1.57 0.35 0.28 116.57 121.06 2c0s h LYS 14 Ca -0.02 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2c0s h LYS 14 Cb 1.58 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2c0s h LYS 14 CO 0.12 0.73 0.08 0.87 -0.57 0.00 0.00 179.45 180.68 2c0s h LYS 15 N 0.87 0.90 -0.04 3.15 1.79 -1.32 -2.07 116.57 119.85 2c0s h LYS 15 Ca 0.22 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2c0s h LYS 15 Cb 0.12 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2c0s h LYS 15 CO -0.03 0.88 -0.06 1.49 -1.08 0.00 0.00 179.45 180.65 2c0s h GLU 16 N 0.79 -0.09 -0.88 3.15 4.81 -0.96 -1.95 114.58 119.45 2c0s h GLU 16 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2c0s h GLU 16 Cb 0.42 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2c0s h GLU 16 CO 0.01 -0.06 0.56 1.25 -0.73 0.00 0.00 179.01 180.05 2c0s h LEU 17 N -0.10 1.02 -0.36 1.64 5.85 -0.24 -0.11 115.31 123.02 2c0s h LEU 17 Ca 0.04 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2c0s h LEU 17 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2c0s h LEU 17 CO -0.10 0.76 0.22 0.40 -0.34 0.00 0.00 178.44 179.38 2c0s h ILE 18 N 1.20 1.06 -0.54 4.05 2.04 -1.10 0.70 117.51 124.91 2c0s h ILE 18 Ca 0.32 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.07 2c0s h ILE 18 Cb -0.11 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 2c0s h ILE 18 CO -0.07 0.08 0.28 0.22 0.00 0.00 0.00 178.15 178.67 2c0s h TYR 19 N 0.44 0.51 -0.26 1.37 3.20 -0.67 -1.84 116.97 119.73 2c0s h TYR 19 Ca 0.14 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2c0s h TYR 19 Cb -0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2c0s h TYR 19 CO -0.07 0.25 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.38 2c0s h LEU 20 N 0.54 0.50 -0.62 2.82 3.38 -0.51 -1.84 115.31 119.58 2c0s h LEU 20 Ca 0.24 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2c0s h LEU 20 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2c0s h LEU 20 CO -0.16 0.75 -0.12 0.58 0.09 0.00 0.00 178.44 179.58 2c0s h VAL 21 N 0.43 1.27 -0.75 1.22 2.07 -0.32 0.19 116.25 120.35 2c0s h VAL 21 Ca 0.06 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2c0s h VAL 21 Cb 0.68 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2c0s h VAL 21 CO 0.05 0.44 0.36 -0.33 0.02 0.00 0.00 177.57 178.11 2c0s h GLU 22 N 0.86 1.08 0.04 1.57 4.39 -1.02 0.14 114.58 121.63 2c0s h GLU 22 Ca 0.13 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2c0s h GLU 22 Cb 0.67 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2c0s h GLU 22 CO 0.05 0.84 -0.33 0.87 -1.16 0.00 0.00 179.01 179.27 2c0s h LYS 23 N 1.07 0.15 0.13 2.33 1.79 -0.99 -3.39 116.57 117.66 2c0s h LYS 23 Ca 0.26 -0.22 -0.36 0.00 -2.18 0.00 0.00 60.65 58.16 2c0s h LYS 23 Cb 0.12 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2c0s h LYS 23 CO -0.03 1.04 -1.91 1.88 -1.08 0.00 0.00 179.45 179.35 2c0s h TYR 24 N -0.63 0.50 0.00 -1.35 0.05 -0.64 -3.51 116.97 111.39 2c0s h TYR 24 Ca -0.05 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.36 2c0s h TYR 24 Cb 1.19 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2c0s h TYR 24 CO 0.22 1.70 0.00 0.41 -1.05 0.00 0.00 178.16 179.44 2c0s n GLY 25 N 1.93 3.85 3.68 3.88 0.00 0.47 -4.86 105.19 114.14 2c0s n GLY 25 Ca -0.29 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2c0s n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c0s s PHE 26 N -2.34 2.26 -1.77 1.61 0.08 -1.26 -2.62 117.98 113.94 2c0s s PHE 26 Ca 0.00 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.34 2c0s s PHE 26 Cb 0.00 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 2c0s s PHE 26 CO 0.00 -3.82 0.00 2.41 -0.10 0.00 0.00 175.22 173.71 2c0s n THR 27 N 5.00 -0.43 -1.67 0.64 -1.04 -1.26 -4.96 114.28 110.55 2c0s n THR 27 Ca 0.16 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.83 2c0s n THR 27 Cb 0.42 -2.24 0.06 0.00 -1.82 0.00 0.00 70.33 66.75 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 -2.80 2.38 0.17 -1.42 5.04 -1.08 -4.76 115.29 112.83 2c0s s HIS 28 Ca 0.00 1.57 -0.21 0.00 -1.54 0.00 0.00 55.06 54.88 2c0s s HIS 28 Cb 0.00 -3.32 0.08 0.00 0.04 0.00 0.00 32.58 29.39 2c0s s HIS 28 CO 0.00 -2.08 1.61 1.25 -2.34 0.00 0.00 174.74 173.17 2c0s h HIS 29 N 0.02 -0.79 -0.74 3.88 -0.00 -1.93 0.06 115.15 115.66 2c0s h HIS 29 Ca -0.48 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2c0s h HIS 29 Cb 1.27 0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 29.05 2c0s h HIS 29 CO 0.51 -0.36 0.37 0.87 -0.00 0.00 0.00 177.93 179.32 2c0s h LYS 30 N -0.21 1.04 -0.67 5.26 1.79 -1.97 -2.60 116.57 119.21 2c0s h LYS 30 Ca 0.19 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2c0s h LYS 30 Cb 0.52 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 2c0s h LYS 30 CO -0.54 0.79 0.44 0.28 -1.08 0.00 0.00 179.45 179.34 2c0s h VAL 31 N 1.04 1.18 -0.68 0.50 2.07 -1.40 -0.67 116.25 118.28 2c0s h VAL 31 Ca 0.26 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2c0s h VAL 31 Cb 0.08 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2c0s h VAL 31 CO -0.04 0.17 0.36 0.40 0.02 0.00 0.00 177.57 178.49 2c0s h ILE 32 N 0.91 1.21 -0.38 4.57 2.04 -0.72 0.10 117.51 125.25 2c0s h ILE 32 Ca 0.25 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2c0s h ILE 32 Cb -0.10 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2c0s h ILE 32 CO -0.05 0.24 -0.31 -1.28 0.00 0.00 0.00 178.15 176.74 2c0s h SER 33 N 0.95 0.87 0.26 1.72 0.87 -1.04 -1.99 113.55 115.19 2c0s h SER 33 Ca 0.24 -0.36 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 2c0s h SER 33 Cb 0.04 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2c0s h SER 33 CO -0.04 1.11 -0.46 -0.26 -0.53 0.00 0.00 176.83 176.65 2c0s h PHE 34 N 0.70 0.29 -0.70 2.24 0.04 -0.38 -2.40 116.94 116.72 2c0s h PHE 34 Ca 0.08 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2c0s h PHE 34 Cb 0.87 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 2c0s h PHE 34 CO 0.05 0.66 0.35 1.03 -0.60 0.00 0.00 178.31 179.80 2c0s h SER 35 N 0.20 0.89 -0.03 2.17 0.87 -0.46 -1.76 113.55 115.43 2c0s h SER 35 Ca 0.01 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 2c0s h SER 35 Cb 0.89 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2c0s h SER 35 CO 0.07 0.74 -0.23 1.56 -0.53 0.00 0.00 176.83 178.44 2c0s h GLN 36 N 0.99 0.43 -0.17 2.24 1.08 -0.87 0.11 115.11 118.92 2c0s h GLN 36 Ca 0.25 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2c0s h GLN 36 Cb 0.08 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2c0s h GLN 36 CO -0.03 0.64 0.10 0.93 -0.95 0.00 0.00 178.83 179.51 2c0s h GLU 37 N 0.39 0.24 -0.26 1.46 5.08 -1.06 0.93 114.58 121.35 2c0s h GLU 37 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2c0s h GLU 37 Cb 0.62 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2c0s h GLU 37 CO 0.04 0.23 0.07 1.25 -1.00 0.00 0.00 179.01 179.61 2c0s h LEU 38 N 0.18 0.39 -0.10 1.33 7.12 -1.00 -0.13 115.31 123.12 2c0s h LEU 38 Ca 0.06 -0.22 0.03 0.00 0.13 0.00 0.00 57.88 57.88 2c0s h LEU 38 Cb 0.06 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.06 2c0s h LEU 38 CO -0.01 0.51 -0.09 -0.78 -0.13 0.00 0.00 178.44 177.94 2c0s h ASP 39 N 0.26 -0.29 0.01 1.25 1.82 -0.64 -0.51 116.42 118.33 2c0s h ASP 39 Ca 0.08 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 2c0s h ASP 39 Cb 0.27 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2c0s h ASP 39 CO -0.00 -0.13 -0.21 0.03 -1.61 0.00 0.00 179.24 177.32 2c0s h ARG 40 N -0.11 0.36 -0.56 0.28 2.47 -0.65 0.20 114.38 116.36 2c0s h ARG 40 Ca 0.07 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 2c0s h ARG 40 Cb 0.21 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2c0s h ARG 40 CO -0.17 0.56 0.08 1.25 0.56 0.00 0.00 179.97 182.25 2c0s h LEU 41 N 0.32 0.90 -0.66 3.04 7.12 -0.54 0.66 115.31 126.14 2c0s h LEU 41 Ca 0.05 -0.27 -0.14 0.00 0.13 0.00 0.00 57.88 57.66 2c0s h LEU 41 Cb 0.56 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2c0s h LEU 41 CO 0.04 0.94 -0.48 0.25 -0.13 0.00 0.00 178.44 179.06 2c0s h LEU 42 N 0.82 0.51 -1.33 2.25 6.46 -0.44 -2.45 115.31 121.12 2c0s h LEU 42 Ca 0.17 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 2c0s h LEU 42 Cb 0.43 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2c0s h LEU 42 CO 0.01 0.91 -0.23 0.78 -0.62 0.00 0.00 178.44 179.29 2c0s h ASN 43 N 0.38 0.16 -0.36 1.25 -0.26 -0.16 -2.21 115.58 114.36 2c0s h ASN 43 Ca 0.02 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2c0s h ASN 43 Cb 0.97 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 2c0s h ASN 43 CO 0.09 0.39 0.15 -0.07 -1.06 0.00 0.00 177.43 176.93 2c0s h LEU 44 N 0.15 0.50 -0.98 1.61 3.38 -0.43 0.16 115.31 119.69 2c0s h LEU 44 Ca 0.03 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2c0s h LEU 44 Cb 0.49 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2c0s h LEU 44 CO 0.03 0.53 0.63 0.25 0.09 0.00 0.00 178.44 179.97 2c0s h LEU 45 N 0.44 1.00 0.02 1.67 5.85 -1.03 0.32 115.31 123.59 2c0s h LEU 45 Ca 0.12 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2c0s h LEU 45 Cb 0.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2c0s h LEU 45 CO -0.01 0.64 -0.01 0.40 -0.34 0.00 0.00 178.44 179.12 2c0s h ILE 46 N 1.14 1.44 -0.13 4.05 2.04 -1.19 -3.31 117.51 121.55 2c0s h ILE 46 Ca 0.43 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2c0s h ILE 46 Cb 0.18 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2c0s h ILE 46 CO -0.18 0.37 -0.20 -0.08 0.00 0.00 0.00 178.15 178.06 2c0s h GLU 47 N -0.67 0.22 -0.96 2.37 4.81 -0.23 -2.11 114.58 118.02 2c0s h GLU 47 Ca -0.00 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2c0s h GLU 47 Cb 0.63 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2c0s h GLU 47 CO 0.00 0.42 0.63 1.25 -0.73 0.00 0.00 179.01 180.59 2c0s h LEU 48 N 0.20 1.07 -0.99 1.64 7.12 -0.48 0.31 115.31 124.17 2c0s h LEU 48 Ca 0.04 -0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.93 2c0s h LEU 48 Cb 0.48 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 2c0s h LEU 48 CO 0.03 0.75 -0.42 0.11 -0.13 0.00 0.00 178.44 178.78 2c0s h LYS 49 N 1.25 0.17 -0.17 1.25 1.57 -1.47 0.26 116.57 119.43 2c0s h LYS 49 Ca 0.37 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2c0s h LYS 49 Cb -0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2c0s h LYS 49 CO -0.10 0.56 -0.28 1.15 -0.57 0.00 0.00 179.45 180.21 2c0s h THR 50 N 0.14 1.35 0.00 -0.16 2.02 -1.12 -3.39 112.91 111.76 2c0s h THR 50 Ca 0.01 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 2c0s h THR 50 Cb 0.81 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2c0s h THR 50 CO 0.06 0.46 -0.28 0.07 0.37 0.00 0.00 175.52 176.19 2c0s h LYS 51 N 0.13 0.00 0.00 6.66 2.10 -0.72 -3.47 116.57 121.27 2c0s h LYS 51 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2c0s h LYS 51 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2c0s h LYS 51 CO 0.06 0.09 0.00 0.36 -2.00 0.00 0.00 179.45 177.96 2c0s n LYS 52 N -4.68 0.00 0.27 0.07 2.85 0.90 -4.56 118.16 113.01 2c0s n LYS 52 Ca -0.05 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.37 2c0s n LYS 52 Cb 0.17 -1.79 0.75 0.00 -0.65 0.00 0.00 35.03 33.51 2c0s n LYS 52 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2c0s h LYS 53 N 0.00 0.00 -6.45 -1.58 2.10 -1.90 -3.41 116.57 105.33 2c0s h LYS 53 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2c0s h LYS 53 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2c0s h LYS 53 CO 0.00 0.07 0.47 0.50 -2.00 0.00 0.00 179.45 178.49 2c0s s ARG 54 N -3.89 4.49 0.00 0.07 6.06 -1.26 -4.89 118.95 119.53 2c0s s ARG 54 Ca -0.01 1.60 0.00 0.00 -2.50 0.00 0.00 55.73 54.82 2c0s s ARG 54 Cb 0.11 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.72 2c0s s ARG 54 CO 0.55 -0.16 0.53 0.66 -2.50 0.00 0.00 175.30 174.38 2c0s n TYR 55 N 3.93 0.00 -0.07 5.12 4.01 -1.26 -3.80 117.16 125.09 2c0s n TYR 55 Ca 0.08 -0.26 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 2c0s n TYR 55 Cb 0.49 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 39.37 2c0s n TYR 55 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2c0s h SER 56 N 0.91 0.83 -0.35 7.72 0.87 -1.88 0.37 113.55 122.02 2c0s h SER 56 Ca 0.00 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 2c0s h SER 56 Cb 0.53 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2c0s h SER 56 CO 0.00 1.12 0.19 -0.07 -0.53 0.00 0.00 176.83 177.53 2c0s h LEU 57 N 0.64 0.46 0.00 2.23 4.07 -1.71 0.25 115.31 121.26 2c0s h LEU 57 Ca 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2c0s h LEU 57 Cb 0.94 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2c0s h LEU 57 CO 0.09 0.40 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.52 2c0s h LEU 58 N 0.53 0.00 0.00 1.67 4.07 -1.71 -1.49 115.31 118.39 2c0s h LEU 58 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2c0s h LEU 58 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 2c0s h LEU 58 CO -0.02 0.47 0.00 -0.62 -1.08 0.00 0.00 178.44 177.19 2c0s n GLU 59 N -3.88 0.00 -3.52 1.13 1.02 0.13 -1.20 120.64 114.32 2c0s n GLU 59 Ca -0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 2c0s n GLU 59 Cb 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.57 -0.58 -0.00 -0.32 5.65 -1.24 0.31 115.29 119.68 2c0s s HIS 60 Ca 0.00 0.92 -0.00 0.00 0.25 0.00 0.00 55.06 56.22 2c0s s HIS 60 Cb 0.00 0.44 -0.00 0.00 -1.18 0.00 0.00 32.58 31.84 2c0s s HIS 60 CO 0.00 -0.58 0.01 -1.58 -0.65 0.00 0.00 174.74 171.94 2c0s s HIS 61 N -1.50 0.02 0.00 3.88 2.46 -1.26 -4.56 115.29 114.32 2c0s s HIS 61 Ca -0.07 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2c0s s HIS 61 Cb -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.43 2c0s s HIS 61 CO 0.05 -0.03 0.00 1.58 -2.47 0.00 0.00 174.74 173.88 2c0s n HIS 62 N 2.91 0.00 -4.10 3.88 -0.00 -1.26 -5.11 115.22 111.54 2c0s n HIS 62 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.43 2c0s n HIS 62 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.55 2c0s n HIS 62 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2c0s s HIS 63 N 0.00 1.15 -1.21 1.57 3.76 -1.26 -5.12 115.29 114.18 2c0s s HIS 63 Ca 0.00 -1.36 0.10 0.00 -0.15 0.00 0.00 55.06 53.65 2c0s s HIS 63 Cb 0.00 -0.10 0.08 0.00 1.11 0.00 0.00 32.58 33.67 2c0s s HIS 63 CO 0.00 -1.18 0.81 0.72 -0.85 0.00 0.00 174.74 174.24